smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2ccnc2C)CC[N@H+]1CCOC ZINC001306623165 1069313721 /nfs/dbraw/zinc/31/37/21/1069313721.db2.gz RJHDCNUKSRNIBB-HXUWFJFHSA-N 1 1 490.027 3.880 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001306623477 1069315297 /nfs/dbraw/zinc/31/52/97/1069315297.db2.gz JBEQJBVAXBYDAO-DEOSSOPVSA-N 1 1 491.640 3.592 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC001306623972 1069316319 /nfs/dbraw/zinc/31/63/19/1069316319.db2.gz WBZXCJKVZQVLAL-PZJWPPBQSA-N 1 1 457.619 3.700 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@H+]1CCOC ZINC001306623822 1069316367 /nfs/dbraw/zinc/31/63/67/1069316367.db2.gz GFZICWOQUXRVBE-AUSIDOKSSA-N 1 1 477.600 3.978 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001306624547 1069317920 /nfs/dbraw/zinc/31/79/20/1069317920.db2.gz ZJJLLSDJQCMNCF-OALUTQOASA-N 1 1 466.001 3.590 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2nccc(C(F)F)n2)CC[N@H+]1CCOC ZINC001306626242 1069321442 /nfs/dbraw/zinc/32/14/42/1069321442.db2.gz WWFIZZZQAFINAX-GOSISDBHSA-N 1 1 463.577 3.649 20 0 JHADMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001311316960 1069322866 /nfs/dbraw/zinc/32/28/66/1069322866.db2.gz FGMDQFYDKPRGHR-UHFFFAOYSA-N 1 1 454.575 3.909 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001306629064 1069327997 /nfs/dbraw/zinc/32/79/97/1069327997.db2.gz IFZFAJPVVGYOCJ-LEWJYISDSA-N 1 1 479.620 3.512 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC[N@H+]1CCOC ZINC001306629790 1069328948 /nfs/dbraw/zinc/32/89/48/1069328948.db2.gz LHYFYXWOHXYFQC-MOPGFXCFSA-N 1 1 476.691 3.521 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CC[N@H+]1CCOC ZINC001306630198 1069329607 /nfs/dbraw/zinc/32/96/07/1069329607.db2.gz MNNZUWFEKGRYBJ-HSZRJFAPSA-N 1 1 483.636 3.573 20 0 JHADMO COc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)N(C)C)cc1OC ZINC001311350592 1069337191 /nfs/dbraw/zinc/33/71/91/1069337191.db2.gz VTOCYPYDICQDDR-WMZHIEFXSA-N 1 1 454.615 3.831 20 0 JHADMO CN(C(=O)NCc1ccccc1COCc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001311360041 1069344174 /nfs/dbraw/zinc/34/41/74/1069344174.db2.gz JFMOUGHFBBWQLK-SANMLTNESA-N 1 1 450.627 3.713 20 0 JHADMO CN(C(=O)NCc1ccccc1COCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001311360041 1069344193 /nfs/dbraw/zinc/34/41/93/1069344193.db2.gz JFMOUGHFBBWQLK-SANMLTNESA-N 1 1 450.627 3.713 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306636287 1069344874 /nfs/dbraw/zinc/34/48/74/1069344874.db2.gz QGXOMEGJEIUVBY-YADHBBJMSA-N 1 1 488.721 3.958 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@@H]2OC)CC[N@H+]1CCOC ZINC001306639864 1069350898 /nfs/dbraw/zinc/35/08/98/1069350898.db2.gz CZNJWTLDSFSJOL-VIZSFHNOSA-N 1 1 459.610 3.836 20 0 JHADMO 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 1069352470 /nfs/dbraw/zinc/35/24/70/1069352470.db2.gz BLNNHYDCRZTSHB-QFQXNSOFSA-N 1 1 492.709 3.864 20 0 JHADMO O=C(NCCOc1cccc(Cl)c1Cl)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001311378654 1069352572 /nfs/dbraw/zinc/35/25/72/1069352572.db2.gz NACMEXCVFDYWHO-UHFFFAOYSA-N 1 1 455.361 3.633 20 0 JHADMO Cc1cccc(N2CCN(CCCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)c1 ZINC001311379588 1069352924 /nfs/dbraw/zinc/35/29/24/1069352924.db2.gz BEABHMCVTBNDHY-QHCPKHFHSA-N 1 1 451.659 3.936 20 0 JHADMO CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001306641806 1069352957 /nfs/dbraw/zinc/35/29/57/1069352957.db2.gz REEYXSQWGGHYNC-HXUWFJFHSA-N 1 1 489.462 3.641 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CC[N@H+]1CCOC ZINC001306644069 1069355308 /nfs/dbraw/zinc/35/53/08/1069355308.db2.gz JEKFDVNVWQLWRO-IBGZPJMESA-N 1 1 470.643 3.704 20 0 JHADMO CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306645866 1069357369 /nfs/dbraw/zinc/35/73/69/1069357369.db2.gz ATTINAXDSGHVPZ-OYRHEFFESA-N 1 1 451.619 3.866 20 0 JHADMO CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306645866 1069357376 /nfs/dbraw/zinc/35/73/76/1069357376.db2.gz ATTINAXDSGHVPZ-OYRHEFFESA-N 1 1 451.619 3.866 20 0 JHADMO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001311397638 1069360943 /nfs/dbraw/zinc/36/09/43/1069360943.db2.gz VLTCMGSFBUZTSI-VVZHRXSXSA-N 1 1 456.631 3.912 20 0 JHADMO C[C@@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001311396579 1069361214 /nfs/dbraw/zinc/36/12/14/1069361214.db2.gz AYIZGAQVZREWJB-MSOLQXFVSA-N 1 1 457.537 3.785 20 0 JHADMO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306650946 1069362497 /nfs/dbraw/zinc/36/24/97/1069362497.db2.gz ZMDPARBBQSXBIT-OAQYLSRUSA-N 1 1 490.643 3.569 20 0 JHADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364615 /nfs/dbraw/zinc/36/46/15/1069364615.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 1 1 460.544 3.797 20 0 JHADMO Cc1cccc(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1Br ZINC001311422310 1069370295 /nfs/dbraw/zinc/37/02/95/1069370295.db2.gz CXOFEHOIRMLUEA-UHFFFAOYSA-N 1 1 459.432 3.765 20 0 JHADMO CCCCCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306656057 1069368822 /nfs/dbraw/zinc/36/88/22/1069368822.db2.gz RLVCXZINTXVDPR-UHFFFAOYSA-N 1 1 469.609 3.859 20 0 JHADMO Cc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1Br ZINC001311421647 1069369366 /nfs/dbraw/zinc/36/93/66/1069369366.db2.gz FQRIWXGWDHEGKQ-JOCHJYFZSA-N 1 1 459.432 3.936 20 0 JHADMO Cc1ccc(CNC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1Br ZINC001311421647 1069369374 /nfs/dbraw/zinc/36/93/74/1069369374.db2.gz FQRIWXGWDHEGKQ-JOCHJYFZSA-N 1 1 459.432 3.936 20 0 JHADMO Cc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1Br ZINC001311421647 1069369381 /nfs/dbraw/zinc/36/93/81/1069369381.db2.gz FQRIWXGWDHEGKQ-JOCHJYFZSA-N 1 1 459.432 3.936 20 0 JHADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NCC(F)(F)c1ccc(F)cc1F ZINC001311422752 1069370903 /nfs/dbraw/zinc/37/09/03/1069370903.db2.gz GJHKYOPTUSYQMJ-UHFFFAOYSA-N 1 1 452.496 3.564 20 0 JHADMO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c(C)n1 ZINC001306657420 1069371017 /nfs/dbraw/zinc/37/10/17/1069371017.db2.gz ZQTMJSAURCUMMU-UXHICEINSA-N 1 1 452.651 3.946 20 0 JHADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306659823 1069377718 /nfs/dbraw/zinc/37/77/18/1069377718.db2.gz DGRDGKTZLLCUEH-OAQYLSRUSA-N 1 1 467.662 3.595 20 0 JHADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001311440591 1069381159 /nfs/dbraw/zinc/38/11/59/1069381159.db2.gz GVEUPCUJRSMDCE-QGZVFWFLSA-N 1 1 458.466 3.976 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001306664442 1069388692 /nfs/dbraw/zinc/38/86/92/1069388692.db2.gz PTBNHKVIZFXJIC-NRFANRHFSA-N 1 1 455.651 3.623 20 0 JHADMO 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 1069389426 /nfs/dbraw/zinc/38/94/26/1069389426.db2.gz JXSHCJQWNNPCBY-VOQZNFBZSA-N 1 1 460.594 3.702 20 0 JHADMO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CCN(Cc2ccccn2)CC1 ZINC001311479669 1069397162 /nfs/dbraw/zinc/39/71/62/1069397162.db2.gz DDXICKSIUNHNJD-UHFFFAOYSA-N 1 1 456.034 3.911 20 0 JHADMO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001311487001 1069400753 /nfs/dbraw/zinc/40/07/53/1069400753.db2.gz GEWMMXITNYXTIW-VPUSJEBWSA-N 1 1 459.590 3.948 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001306679153 1069403684 /nfs/dbraw/zinc/40/36/84/1069403684.db2.gz FMJDWYAJDKPLFE-UHFFFAOYSA-N 1 1 454.663 3.932 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(F)F)CC1 ZINC001306677901 1069402413 /nfs/dbraw/zinc/40/24/13/1069402413.db2.gz DPXKQCHKHUTERE-UHFFFAOYSA-N 1 1 466.577 3.999 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306678122 1069402479 /nfs/dbraw/zinc/40/24/79/1069402479.db2.gz HTJNJOHWOLYNML-FQEVSTJZSA-N 1 1 494.610 3.568 20 0 JHADMO 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 1069404333 /nfs/dbraw/zinc/40/43/33/1069404333.db2.gz CUWDOYUNVIHDJM-NSISKUIASA-N 1 1 455.521 3.802 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001306679312 1069404900 /nfs/dbraw/zinc/40/49/00/1069404900.db2.gz QTFLLRBXHGIXGK-QFIPXVFZSA-N 1 1 488.702 3.564 20 0 JHADMO C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1NC(=O)C(F)(F)F ZINC001311494767 1069404973 /nfs/dbraw/zinc/40/49/73/1069404973.db2.gz HKJCMBMHJBCFDZ-HLIPFELVSA-N 1 1 454.537 3.660 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001306679341 1069405064 /nfs/dbraw/zinc/40/50/64/1069405064.db2.gz HVVPQEXBFCTBDR-HXUWFJFHSA-N 1 1 490.096 3.663 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OC)CC1 ZINC001306679710 1069405987 /nfs/dbraw/zinc/40/59/87/1069405987.db2.gz SHUWLDZBVFLDSF-JOCHJYFZSA-N 1 1 456.635 3.920 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 ZINC001306680117 1069406536 /nfs/dbraw/zinc/40/65/36/1069406536.db2.gz PMFVDMWFNUTJOR-AREMUKBSSA-N 1 1 458.695 3.826 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)SC)CC1 ZINC001306680180 1069406600 /nfs/dbraw/zinc/40/66/00/1069406600.db2.gz UZXAHSUSBLRGPC-LJQANCHMSA-N 1 1 497.713 3.892 20 0 JHADMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cc2)CC1 ZINC001311497365 1069407168 /nfs/dbraw/zinc/40/71/68/1069407168.db2.gz PWGMRMUACXGYEP-PKTZIBPZSA-N 1 1 460.981 3.556 20 0 JHADMO CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499129 1069408331 /nfs/dbraw/zinc/40/83/31/1069408331.db2.gz XEMPHPJSEOJBFD-YDIMBITNSA-N 1 1 450.583 3.593 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 ZINC001306680424 1069407319 /nfs/dbraw/zinc/40/73/19/1069407319.db2.gz CJURLBZJBSTCNB-UHFFFAOYSA-N 1 1 468.980 3.829 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CC[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001311501911 1069411050 /nfs/dbraw/zinc/41/10/50/1069411050.db2.gz KMWYJEHNWUTFEV-JTHBVZDNSA-N 1 1 455.002 3.863 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001306683272 1069416652 /nfs/dbraw/zinc/41/66/52/1069416652.db2.gz QOSHCIDDYLCHEK-SFHVURJKSA-N 1 1 487.450 3.873 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001306682398 1069413184 /nfs/dbraw/zinc/41/31/84/1069413184.db2.gz GANYQAFJFIIEPY-JOCHJYFZSA-N 1 1 455.582 3.610 20 0 JHADMO CC[C@@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311506966 1069413567 /nfs/dbraw/zinc/41/35/67/1069413567.db2.gz YITJXJHVWVULSU-RDGATRHJSA-N 1 1 455.599 3.961 20 0 JHADMO CC[C@@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311506966 1069413570 /nfs/dbraw/zinc/41/35/70/1069413570.db2.gz YITJXJHVWVULSU-RDGATRHJSA-N 1 1 455.599 3.961 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 ZINC001306682507 1069413888 /nfs/dbraw/zinc/41/38/88/1069413888.db2.gz JEKWNBMOZHXOFG-QGZVFWFLSA-N 1 1 450.425 3.912 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1 ZINC001306682694 1069414800 /nfs/dbraw/zinc/41/48/00/1069414800.db2.gz MAWPOSXHCXDDQF-UHFFFAOYSA-N 1 1 461.676 3.953 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306684153 1069418692 /nfs/dbraw/zinc/41/86/92/1069418692.db2.gz LBDTVEIPEBGMTG-GOSISDBHSA-N 1 1 468.568 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001306684667 1069419437 /nfs/dbraw/zinc/41/94/37/1069419437.db2.gz PGVFCKHVGGDXJQ-QGZVFWFLSA-N 1 1 454.575 3.641 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](SC)C1 ZINC001306685552 1069421427 /nfs/dbraw/zinc/42/14/27/1069421427.db2.gz GMZNAAQGZCNSIX-JOCHJYFZSA-N 1 1 486.734 3.906 20 0 JHADMO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001311525798 1069423383 /nfs/dbraw/zinc/42/33/83/1069423383.db2.gz UAVKPZYKGNMVTO-SFTDATJTSA-N 1 1 451.615 3.681 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001306688993 1069425750 /nfs/dbraw/zinc/42/57/50/1069425750.db2.gz RNFUTWUDTMHZBX-UXHICEINSA-N 1 1 464.655 3.697 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306688697 1069425824 /nfs/dbraw/zinc/42/58/24/1069425824.db2.gz UTJNTGTVDNQAIV-NHCUHLMSSA-N 1 1 465.683 3.764 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001311534673 1069426871 /nfs/dbraw/zinc/42/68/71/1069426871.db2.gz QNYLDEMNBNEDTM-NRSPTQNISA-N 1 1 454.656 3.601 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001306689519 1069427064 /nfs/dbraw/zinc/42/70/64/1069427064.db2.gz XXNWYPMKOXHXLI-UHFFFAOYSA-N 1 1 453.610 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306689661 1069427139 /nfs/dbraw/zinc/42/71/39/1069427139.db2.gz XSIRTDRPRARFQZ-DEOSSOPVSA-N 1 1 464.662 3.959 20 0 JHADMO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001306691904 1069428925 /nfs/dbraw/zinc/42/89/25/1069428925.db2.gz PFVXNQDSIYHQOP-VQTJNVASSA-N 1 1 475.707 3.985 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1 ZINC001311556378 1069437522 /nfs/dbraw/zinc/43/75/22/1069437522.db2.gz PRZZAZUGMLGCRZ-YIXXDRMTSA-N 1 1 450.627 3.978 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1 ZINC001311556378 1069437527 /nfs/dbraw/zinc/43/75/27/1069437527.db2.gz PRZZAZUGMLGCRZ-YIXXDRMTSA-N 1 1 450.627 3.978 20 0 JHADMO CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001306714591 1069446264 /nfs/dbraw/zinc/44/62/64/1069446264.db2.gz OCBDRSSRGSPAIF-PXNSSMCTSA-N 1 1 478.435 3.577 20 0 JHADMO C[NH+]1CCN([C@H](CNC(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC001311571664 1069443293 /nfs/dbraw/zinc/44/32/93/1069443293.db2.gz OBEBIWJQCXDMMK-FCHUYYIVSA-N 1 1 456.656 3.816 20 0 JHADMO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1Cl ZINC001311581968 1069448789 /nfs/dbraw/zinc/44/87/89/1069448789.db2.gz KGLMOKMQYQKQQB-GHTZIAJQSA-N 1 1 451.398 3.801 20 0 JHADMO C[NH+](C)[C@@H](CNC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1Cl ZINC001311581849 1069448978 /nfs/dbraw/zinc/44/89/78/1069448978.db2.gz JZRRWMPZTHYGEW-QHCPKHFHSA-N 1 1 457.018 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001306719574 1069453412 /nfs/dbraw/zinc/45/34/12/1069453412.db2.gz DAMHUUYCCGXRBX-NRFANRHFSA-N 1 1 486.636 3.953 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2CC1 ZINC001306721288 1069457348 /nfs/dbraw/zinc/45/73/48/1069457348.db2.gz WDCPZHRATQZJHH-HSZRJFAPSA-N 1 1 452.647 3.676 20 0 JHADMO CCCCn1cc(Cn2c(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721055 1069456742 /nfs/dbraw/zinc/45/67/42/1069456742.db2.gz PGOLFLVMDFDGIZ-ISJBWFOZSA-N 1 1 487.693 3.591 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306721541 1069457867 /nfs/dbraw/zinc/45/78/67/1069457867.db2.gz BDKJANNNLJKLNI-RZUBCFFCSA-N 1 1 486.636 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306722103 1069458991 /nfs/dbraw/zinc/45/89/91/1069458991.db2.gz DZZJEQYJZNDWFZ-JOCHJYFZSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306722680 1069461010 /nfs/dbraw/zinc/46/10/10/1069461010.db2.gz KBWZEYAOGZAGPY-YADHBBJMSA-N 1 1 452.647 4.000 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306723062 1069462331 /nfs/dbraw/zinc/46/23/31/1069462331.db2.gz NZQVNNMHMVUNPZ-QFIPXVFZSA-N 1 1 450.635 3.981 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)C ZINC001306723198 1069462405 /nfs/dbraw/zinc/46/24/05/1069462405.db2.gz OTYAFLSPAXAIHT-HXUWFJFHSA-N 1 1 465.646 3.939 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306723231 1069462818 /nfs/dbraw/zinc/46/28/18/1069462818.db2.gz PKONEJLQMGKKMP-IBVKSMDESA-N 1 1 468.646 3.571 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723415 1069463533 /nfs/dbraw/zinc/46/35/33/1069463533.db2.gz QUERUYMOEUQVJD-GHTZIAJQSA-N 1 1 474.675 3.655 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001306723343 1069463571 /nfs/dbraw/zinc/46/35/71/1069463571.db2.gz RSZJAGRXEFACGB-HFZDXXHNSA-N 1 1 483.661 3.975 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001306724017 1069464695 /nfs/dbraw/zinc/46/46/95/1069464695.db2.gz XHJDPBQAOWBUBX-OTWHNJEPSA-N 1 1 459.664 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306725440 1069466326 /nfs/dbraw/zinc/46/63/26/1069466326.db2.gz DHVXMMZBARHAEY-VXKWHMMOSA-N 1 1 469.630 3.531 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306724962 1069465894 /nfs/dbraw/zinc/46/58/94/1069465894.db2.gz APIZBGBISRPRLY-MOPGFXCFSA-N 1 1 474.600 3.503 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722739 1069461871 /nfs/dbraw/zinc/46/18/71/1069461871.db2.gz KRMGGKWKNKHZAX-LEWJYISDSA-N 1 1 476.666 3.540 20 0 JHADMO CC(C)[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC001311614711 1069467324 /nfs/dbraw/zinc/46/73/24/1069467324.db2.gz MIJGOGCWBBHBEZ-QHCPKHFHSA-N 1 1 450.583 3.817 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726052 1069467658 /nfs/dbraw/zinc/46/76/58/1069467658.db2.gz JSWZPVUNCJEEGU-RTBURBONSA-N 1 1 471.568 3.784 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306727054 1069471110 /nfs/dbraw/zinc/47/11/10/1069471110.db2.gz CBVVZLWIDGODQC-JTHBVZDNSA-N 1 1 489.686 3.824 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306727264 1069470540 /nfs/dbraw/zinc/47/05/40/1069470540.db2.gz OWONUHZRRNZAQE-HSZRJFAPSA-N 1 1 470.662 3.754 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726830 1069470552 /nfs/dbraw/zinc/47/05/52/1069470552.db2.gz NTFBEYHEEMLHJF-GOTSBHOMSA-N 1 1 474.694 3.869 20 0 JHADMO 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 1069472819 /nfs/dbraw/zinc/47/28/19/1069472819.db2.gz FCYCZAIKHANPRI-ITTUMRLJSA-N 1 1 462.683 3.551 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 ZINC001306728695 1069476089 /nfs/dbraw/zinc/47/60/89/1069476089.db2.gz VUKGGMQWTUFPFI-HXUWFJFHSA-N 1 1 488.627 3.860 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306730084 1069480151 /nfs/dbraw/zinc/48/01/51/1069480151.db2.gz MCPLQQQQDNIRGU-XMMPIXPASA-N 1 1 482.673 3.925 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306730103 1069480701 /nfs/dbraw/zinc/48/07/01/1069480701.db2.gz MFAWEQPMQDFEJQ-OAQYLSRUSA-N 1 1 488.702 3.802 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306731073 1069484457 /nfs/dbraw/zinc/48/44/57/1069484457.db2.gz ONYJKOOBWXHCOZ-RPWUZVMVSA-N 1 1 458.695 3.970 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306731584 1069486294 /nfs/dbraw/zinc/48/62/94/1069486294.db2.gz QXPWRGCWUNGABP-PWRODBHTSA-N 1 1 476.666 3.888 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001306731622 1069486977 /nfs/dbraw/zinc/48/69/77/1069486977.db2.gz RVAFJECFQHKHSW-BJESRGMDSA-N 1 1 477.694 3.908 20 0 JHADMO Cc1c(Cl)cccc1N1CCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC001311666015 1069495189 /nfs/dbraw/zinc/49/51/89/1069495189.db2.gz OBNOVZZQWAIOPM-LJQANCHMSA-N 1 1 457.018 3.901 20 0 JHADMO Cc1c(Cl)cccc1N1CCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC001311666015 1069495194 /nfs/dbraw/zinc/49/51/94/1069495194.db2.gz OBNOVZZQWAIOPM-LJQANCHMSA-N 1 1 457.018 3.901 20 0 JHADMO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311658824 1069491770 /nfs/dbraw/zinc/49/17/70/1069491770.db2.gz XRBGZKKUJROBOX-UWJYYQICSA-N 1 1 456.953 3.860 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001306733307 1069492764 /nfs/dbraw/zinc/49/27/64/1069492764.db2.gz NHTBBNXYJXJGIW-QNWVGRARSA-N 1 1 482.673 3.817 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664987 1069493941 /nfs/dbraw/zinc/49/39/41/1069493941.db2.gz OUQQHWDMGGDVQB-YKSBVNFPSA-N 1 1 457.578 3.901 20 0 JHADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)CCO1 ZINC001311666757 1069495130 /nfs/dbraw/zinc/49/51/30/1069495130.db2.gz QVKHHKPONOTJEZ-FQEVSTJZSA-N 1 1 455.574 3.638 20 0 JHADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)CCO1 ZINC001311666757 1069495136 /nfs/dbraw/zinc/49/51/36/1069495136.db2.gz QVKHHKPONOTJEZ-FQEVSTJZSA-N 1 1 455.574 3.638 20 0 JHADMO Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)cc1 ZINC001311690834 1069505251 /nfs/dbraw/zinc/50/52/51/1069505251.db2.gz IYCJAHMNNGAVJR-JOCHJYFZSA-N 1 1 452.599 3.727 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001306736427 1069503112 /nfs/dbraw/zinc/50/31/12/1069503112.db2.gz KRCNIZACLMTQKN-JOCHJYFZSA-N 1 1 452.647 3.952 20 0 JHADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694574 1069507219 /nfs/dbraw/zinc/50/72/19/1069507219.db2.gz NIAHVRHQSDJHFV-GBXCKJPGSA-N 1 1 457.640 3.773 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CC[N@H+]2CCc3ccccc3C2)C1 ZINC001306738602 1069510197 /nfs/dbraw/zinc/51/01/97/1069510197.db2.gz RREDKQXZXOZDJN-QHCPKHFHSA-N 1 1 452.647 3.593 20 0 JHADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC001311701523 1069510753 /nfs/dbraw/zinc/51/07/53/1069510753.db2.gz SBJPBJZZOBXLAV-IYARVYRRSA-N 1 1 450.649 3.737 20 0 JHADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC001311701523 1069510763 /nfs/dbraw/zinc/51/07/63/1069510763.db2.gz SBJPBJZZOBXLAV-IYARVYRRSA-N 1 1 450.649 3.737 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001306743713 1069523171 /nfs/dbraw/zinc/52/31/71/1069523171.db2.gz DWIGZIVXJNWUJO-NRFANRHFSA-N 1 1 469.678 3.774 20 0 JHADMO CCOCC[NH+]1CCN(C(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC001311744231 1069530523 /nfs/dbraw/zinc/53/05/23/1069530523.db2.gz VJHRZHULWGXMOM-HSZRJFAPSA-N 1 1 455.599 3.660 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)C2)cc(OC)c1 ZINC001311776503 1069542046 /nfs/dbraw/zinc/54/20/46/1069542046.db2.gz SFDONHYKGIELPS-ZTCOLXNVSA-N 1 1 457.546 3.637 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)C2)cc(OC)c1 ZINC001311776503 1069542057 /nfs/dbraw/zinc/54/20/57/1069542057.db2.gz SFDONHYKGIELPS-ZTCOLXNVSA-N 1 1 457.546 3.637 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001311792297 1069547070 /nfs/dbraw/zinc/54/70/70/1069547070.db2.gz CDQBWZLKIPMHAW-LMMKCTJWSA-N 1 1 450.649 3.830 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001311792297 1069547077 /nfs/dbraw/zinc/54/70/77/1069547077.db2.gz CDQBWZLKIPMHAW-LMMKCTJWSA-N 1 1 450.649 3.830 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2C)C1 ZINC001306778697 1069574462 /nfs/dbraw/zinc/57/44/62/1069574462.db2.gz AXJJLBRXRUTPID-FQEVSTJZSA-N 1 1 464.614 3.882 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)OC)C1 ZINC001306778997 1069575037 /nfs/dbraw/zinc/57/50/37/1069575037.db2.gz CODSLJUXZJENTN-IRXDYDNUSA-N 1 1 450.425 3.911 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779849 1069575913 /nfs/dbraw/zinc/57/59/13/1069575913.db2.gz JNQSFJHNZMALSM-MHECFPHRSA-N 1 1 480.028 3.939 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)C1 ZINC001306779496 1069575971 /nfs/dbraw/zinc/57/59/71/1069575971.db2.gz HCMKXRROQGCDGG-MRXNPFEDSA-N 1 1 476.423 3.857 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779848 1069576006 /nfs/dbraw/zinc/57/60/06/1069576006.db2.gz JNQSFJHNZMALSM-KOSHJBKYSA-N 1 1 480.028 3.939 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001306779891 1069576460 /nfs/dbraw/zinc/57/64/60/1069576460.db2.gz JSYWFXOMFJWKET-OPAMFIHVSA-N 1 1 491.434 3.705 20 0 JHADMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCSCC2)C1 ZINC001306781125 1069578977 /nfs/dbraw/zinc/57/89/77/1069578977.db2.gz RVKJQPLIPIQECG-LJQANCHMSA-N 1 1 463.095 3.815 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCSCC2)C1 ZINC001306781125 1069578989 /nfs/dbraw/zinc/57/89/89/1069578989.db2.gz RVKJQPLIPIQECG-LJQANCHMSA-N 1 1 463.095 3.815 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001306783802 1069583701 /nfs/dbraw/zinc/58/37/01/1069583701.db2.gz PIBLTIPMGHZZTA-ACRUOGEOSA-N 1 1 478.682 3.849 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC001306782026 1069580437 /nfs/dbraw/zinc/58/04/37/1069580437.db2.gz ITHQSHYAPVEZIR-GMAHTHKFSA-N 1 1 482.673 3.910 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001306783948 1069583653 /nfs/dbraw/zinc/58/36/53/1069583653.db2.gz KSKLKFRVZDZAPR-RTWAWAEBSA-N 1 1 483.661 3.908 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001306784098 1069584092 /nfs/dbraw/zinc/58/40/92/1069584092.db2.gz OHZFXXXIEONHSD-QGZVFWFLSA-N 1 1 472.625 3.904 20 0 JHADMO 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 1069584728 /nfs/dbraw/zinc/58/47/28/1069584728.db2.gz QOWOPSMKMWBOIN-FDFHNCONSA-N 1 1 492.709 3.843 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3ccccc3s2)C1 ZINC001306784829 1069585327 /nfs/dbraw/zinc/58/53/27/1069585327.db2.gz TXLRNHLIKYAFFT-GOSISDBHSA-N 1 1 454.644 3.847 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001306784965 1069586110 /nfs/dbraw/zinc/58/61/10/1069586110.db2.gz NVFCTJDFVQXEED-JOCHJYFZSA-N 1 1 478.641 3.959 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)C1 ZINC001306785282 1069586819 /nfs/dbraw/zinc/58/68/19/1069586819.db2.gz PDIHOYLDJFHOIV-KRWDZBQOSA-N 1 1 460.989 3.588 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2)C1 ZINC001306785635 1069587524 /nfs/dbraw/zinc/58/75/24/1069587524.db2.gz QYIFHDWCTNYXHS-FQEVSTJZSA-N 1 1 452.603 3.517 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(Br)n2)C1 ZINC001306786616 1069589737 /nfs/dbraw/zinc/58/97/37/1069589737.db2.gz XNXAKCKGNGSSML-KRWDZBQOSA-N 1 1 470.419 3.714 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001306786665 1069589764 /nfs/dbraw/zinc/58/97/64/1069589764.db2.gz YDFKMCQNENLZQK-OAQYLSRUSA-N 1 1 482.673 3.770 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2snnc2C)C1 ZINC001306788320 1069593458 /nfs/dbraw/zinc/59/34/58/1069593458.db2.gz NPOJECQPTXCZSW-MRXNPFEDSA-N 1 1 461.586 3.523 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001306786673 1069589929 /nfs/dbraw/zinc/58/99/29/1069589929.db2.gz YHZZLCIGPVBPCR-SFHVURJKSA-N 1 1 480.078 3.734 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001306786749 1069590541 /nfs/dbraw/zinc/59/05/41/1069590541.db2.gz XCGIZYPPRRQSGV-NRFANRHFSA-N 1 1 496.059 3.820 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001306787391 1069590934 /nfs/dbraw/zinc/59/09/34/1069590934.db2.gz CJFKRSYCQHJRPR-GOSISDBHSA-N 1 1 468.675 3.629 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)C1 ZINC001306788432 1069593745 /nfs/dbraw/zinc/59/37/45/1069593745.db2.gz PHDOBULOSGIIJY-FKBYEOEOSA-N 1 1 455.647 3.861 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 ZINC001306787895 1069592355 /nfs/dbraw/zinc/59/23/55/1069592355.db2.gz FFXRYNTZSKLHKK-TYBLODHISA-N 1 1 473.687 3.587 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001311878021 1069592874 /nfs/dbraw/zinc/59/28/74/1069592874.db2.gz BJKQZLGGAWJCCP-UXHICEINSA-N 1 1 454.537 3.536 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001306789347 1069594710 /nfs/dbraw/zinc/59/47/10/1069594710.db2.gz VYVLFRWVIGTHCD-FQEVSTJZSA-N 1 1 485.677 3.735 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001306789912 1069595391 /nfs/dbraw/zinc/59/53/91/1069595391.db2.gz SLXONPVILOPMLD-QHCPKHFHSA-N 1 1 492.668 3.697 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001306790030 1069596106 /nfs/dbraw/zinc/59/61/06/1069596106.db2.gz UNHDBXSSHRPNFJ-WOJBJXKFSA-N 1 1 484.636 3.983 20 0 JHADMO 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CCC[N@@H+](CC)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(C)C)C1 ZINC001306798517 1069604428 /nfs/dbraw/zinc/60/44/28/1069604428.db2.gz ZGAFZFBTLMEWDJ-FQEVSTJZSA-N 1 1 475.707 3.761 20 0 JHADMO CCC[N@@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306801935 1069607434 /nfs/dbraw/zinc/60/74/34/1069607434.db2.gz CBBAHVNGBRVLQP-UHFFFAOYSA-N 1 1 471.600 3.997 20 0 JHADMO CCC[N@@H+](CC)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306803006 1069610883 /nfs/dbraw/zinc/61/08/83/1069610883.db2.gz UPFRDZIMPQFUFJ-UHFFFAOYSA-N 1 1 470.662 3.966 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)NC)CC1 ZINC001306803456 1069612339 /nfs/dbraw/zinc/61/23/39/1069612339.db2.gz WZMXINZPMGNWPP-UHFFFAOYSA-N 1 1 495.441 3.541 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H]1C ZINC001306803891 1069612899 /nfs/dbraw/zinc/61/28/99/1069612899.db2.gz GCMKTCLLKAUGEV-RTBURBONSA-N 1 1 451.619 3.642 20 0 JHADMO 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Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC001307764124 1070173516 /nfs/dbraw/zinc/17/35/16/1070173516.db2.gz UWMLHXZDDUQBKE-NHCUHLMSSA-N 1 1 456.530 3.794 20 0 JHADMO CCOCc1nnc(N2CC[C@@]3(C2)OCc2ccccc23)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001314354120 1070174742 /nfs/dbraw/zinc/17/47/42/1070174742.db2.gz YJGHZCPCQOCWDN-QFIPXVFZSA-N 1 1 467.536 3.725 20 0 JHADMO CCOCc1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358846 1070181388 /nfs/dbraw/zinc/18/13/88/1070181388.db2.gz OPZAGSJINCCHDJ-FPOVZHCZSA-N 1 1 476.666 3.525 20 0 JHADMO 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 1070182027 /nfs/dbraw/zinc/18/20/27/1070182027.db2.gz VIDPLVPABIDLMO-CEMLEFRQSA-N 1 1 490.693 3.817 20 0 JHADMO 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 1070182160 /nfs/dbraw/zinc/18/21/60/1070182160.db2.gz VIDPLVPABIDLMO-ILWGZMRPSA-N 1 1 490.693 3.817 20 0 JHADMO 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 1070184320 /nfs/dbraw/zinc/18/43/20/1070184320.db2.gz KERLXWKCTTXOEL-ZRGHIBABSA-N 1 1 473.658 3.561 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314362729 1070187405 /nfs/dbraw/zinc/18/74/05/1070187405.db2.gz BIUZCGJKKKCVGV-PGRDOPGGSA-N 1 1 472.037 3.888 20 0 JHADMO CCCC[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCC[C@H](C)C1 ZINC001307801846 1070188531 /nfs/dbraw/zinc/18/85/31/1070188531.db2.gz BIWKSKLWAHPJAE-RZYZOOPGSA-N 1 1 458.628 3.915 20 0 JHADMO CCc1ccc([C@@H](NC(=O)C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)c2cccs2)cc1 ZINC001307801191 1070188763 /nfs/dbraw/zinc/18/87/63/1070188763.db2.gz LZOWKXFWZVHQDE-DNQXCXABSA-N 1 1 452.624 3.743 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](c3nc(CC)cs3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001314363750 1070190245 /nfs/dbraw/zinc/19/02/45/1070190245.db2.gz GZHLEABEVXZJSJ-PZJWPPBQSA-N 1 1 476.691 3.574 20 0 JHADMO C[C@H]([NH2+]Cc1ccc(Br)nc1N)c1ccc(Br)cc1OCCCO ZINC001307806688 1070192291 /nfs/dbraw/zinc/19/22/91/1070192291.db2.gz DGQLYWWCPCVVKA-NSHDSACASA-N 1 1 459.182 3.801 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001314365362 1070195040 /nfs/dbraw/zinc/19/50/40/1070195040.db2.gz MFYKLSYQIWUYHF-GUDVDZBRSA-N 1 1 461.573 3.873 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314366042 1070197182 /nfs/dbraw/zinc/19/71/82/1070197182.db2.gz FCXFARPYAVYVCZ-FQEVSTJZSA-N 1 1 464.655 3.525 20 0 JHADMO CCOC(=O)[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1nc(Br)sc1C ZINC001307817829 1070198612 /nfs/dbraw/zinc/19/86/12/1070198612.db2.gz LFVNKRFJDOAMII-UAGQMJEPSA-N 1 1 456.381 3.992 20 0 JHADMO CCOC(=O)[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1nc(Br)sc1C ZINC001307817829 1070198616 /nfs/dbraw/zinc/19/86/16/1070198616.db2.gz LFVNKRFJDOAMII-UAGQMJEPSA-N 1 1 456.381 3.992 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCCn1cc[nH+]c1C ZINC001314366609 1070198690 /nfs/dbraw/zinc/19/86/90/1070198690.db2.gz GMBVIEGCNFESBY-HXUWFJFHSA-N 1 1 475.638 3.636 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC001307820301 1070200178 /nfs/dbraw/zinc/20/01/78/1070200178.db2.gz QQLAVTCQOUWGGH-TWJOJJKGSA-N 1 1 478.614 3.903 20 0 JHADMO CC(C)n1ncc2cc(C[N@H+](Cc3ccccc3)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)cnc21 ZINC001307827431 1070202688 /nfs/dbraw/zinc/20/26/88/1070202688.db2.gz QASNAEOVBDQMQT-DHIUTWEWSA-N 1 1 465.598 3.995 20 0 JHADMO CC(C)n1ncc2cc(C[N@@H+](Cc3ccccc3)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)cnc21 ZINC001307827431 1070202703 /nfs/dbraw/zinc/20/27/03/1070202703.db2.gz QASNAEOVBDQMQT-DHIUTWEWSA-N 1 1 465.598 3.995 20 0 JHADMO COc1ccc([C@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)[C@H](C)Cc2ccccc2)cc1 ZINC001307843284 1070208657 /nfs/dbraw/zinc/20/86/57/1070208657.db2.gz LRWOTIVHBDKVDS-FQRUVTKNSA-N 1 1 458.558 3.958 20 0 JHADMO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC001312987998 1070209141 /nfs/dbraw/zinc/20/91/41/1070209141.db2.gz JOFYQOMPDOPLLB-BVSLBCMMSA-N 1 1 460.619 3.572 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H]2c2ccc(OCC)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314373043 1070210182 /nfs/dbraw/zinc/21/01/82/1070210182.db2.gz GBGVYTVDXVILFX-JOCHJYFZSA-N 1 1 457.619 3.666 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H]2c2ccc(OCC)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314373043 1070210193 /nfs/dbraw/zinc/21/01/93/1070210193.db2.gz GBGVYTVDXVILFX-JOCHJYFZSA-N 1 1 457.619 3.666 20 0 JHADMO CCOc1cc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)nc2nc(C(F)(F)F)nn21 ZINC001307852111 1070211459 /nfs/dbraw/zinc/21/14/59/1070211459.db2.gz UTKRBHJGLAOAQZ-CQSZACIVSA-N 1 1 457.497 3.876 20 0 JHADMO CS(=O)(=O)N(CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br)Cc1ccccc1 ZINC001307854191 1070212098 /nfs/dbraw/zinc/21/20/98/1070212098.db2.gz PUESZFXROLDDMI-HXUWFJFHSA-N 1 1 451.430 3.918 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC001307860354 1070213882 /nfs/dbraw/zinc/21/38/82/1070213882.db2.gz KPWDWFQWDSIJFM-HSALFYBXSA-N 1 1 452.776 3.895 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001314375098 1070214377 /nfs/dbraw/zinc/21/43/77/1070214377.db2.gz PHTFTQWABDDEAW-UHFFFAOYSA-N 1 1 450.587 3.971 20 0 JHADMO CC(C)[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307870438 1070218016 /nfs/dbraw/zinc/21/80/16/1070218016.db2.gz OWMKYKOODVMGKS-AREMUKBSSA-N 1 1 452.618 3.849 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001314377829 1070219685 /nfs/dbraw/zinc/21/96/85/1070219685.db2.gz HJQVVLFZSVTOSH-NRFANRHFSA-N 1 1 482.673 3.846 20 0 JHADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C[C@H]1c1ccccc1 ZINC001307878241 1070220740 /nfs/dbraw/zinc/22/07/40/1070220740.db2.gz UIUOTZYWTQWYFP-FCHUYYIVSA-N 1 1 450.535 3.662 20 0 JHADMO COC(=O)[C@@]1(NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001307888541 1070226973 /nfs/dbraw/zinc/22/69/73/1070226973.db2.gz XXRAKQMRCHMCQY-BKMJKUGQSA-N 1 1 459.631 3.821 20 0 JHADMO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)ccn1 ZINC001307889416 1070227478 /nfs/dbraw/zinc/22/74/78/1070227478.db2.gz CEJWXXYOHYZIFY-LJQANCHMSA-N 1 1 455.356 3.795 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314383648 1070227437 /nfs/dbraw/zinc/22/74/37/1070227437.db2.gz BRRFIMHJSOLXQO-JOCHJYFZSA-N 1 1 474.694 3.554 20 0 JHADMO 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 1070224846 /nfs/dbraw/zinc/22/48/46/1070224846.db2.gz DGLYZQRXXXNLPV-CDJZJNNCSA-N 1 1 451.652 3.950 20 0 JHADMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001313023862 1070224901 /nfs/dbraw/zinc/22/49/01/1070224901.db2.gz RXWMQDVMZIXCKE-FQEVSTJZSA-N 1 1 453.414 3.868 20 0 JHADMO 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 1070224999 /nfs/dbraw/zinc/22/49/99/1070224999.db2.gz DGLYZQRXXXNLPV-QMCAAQAGSA-N 1 1 451.652 3.950 20 0 JHADMO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001314387588 1070235971 /nfs/dbraw/zinc/23/59/71/1070235971.db2.gz XAWXCBMOCMKNBA-OAQYLSRUSA-N 1 1 456.635 3.501 20 0 JHADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 ZINC001307916671 1070239280 /nfs/dbraw/zinc/23/92/80/1070239280.db2.gz HKXLJAHRQZRUAN-YLJYHZDGSA-N 1 1 454.537 3.737 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001314388823 1070240651 /nfs/dbraw/zinc/24/06/51/1070240651.db2.gz MZBGZRUIEIKYRK-KNQAVFIVSA-N 1 1 459.635 3.768 20 0 JHADMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001307930062 1070247124 /nfs/dbraw/zinc/24/71/24/1070247124.db2.gz RUCMXTWNZFQYDG-WDEREUQCSA-N 1 1 455.246 3.590 20 0 JHADMO CCOCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314391918 1070247425 /nfs/dbraw/zinc/24/74/25/1070247425.db2.gz VDXBUPJZEPBINS-UHFFFAOYSA-N 1 1 462.589 3.684 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)C1 ZINC001313091068 1070247693 /nfs/dbraw/zinc/24/76/93/1070247693.db2.gz WCHXNTKTPWIEHR-JWQCQUIFSA-N 1 1 450.627 3.582 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)C1 ZINC001313091068 1070247703 /nfs/dbraw/zinc/24/77/03/1070247703.db2.gz WCHXNTKTPWIEHR-JWQCQUIFSA-N 1 1 450.627 3.582 20 0 JHADMO CCOCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001314390868 1070244862 /nfs/dbraw/zinc/24/48/62/1070244862.db2.gz AWHVTDFZJLWPOT-LJQANCHMSA-N 1 1 475.707 3.727 20 0 JHADMO CCCCCC[C@@](O)(C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(=O)OC ZINC001307926546 1070245682 /nfs/dbraw/zinc/24/56/82/1070245682.db2.gz VAYGZSJSFSZNHM-VNQPRFMTSA-N 1 1 455.231 3.689 20 0 JHADMO 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CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001313457558 1070399869 /nfs/dbraw/zinc/39/98/69/1070399869.db2.gz FEMGKUKCXXBBDM-AABGKKOBSA-N 1 1 476.666 3.818 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CC2)C[C@@H]1CC ZINC001314492891 1070406183 /nfs/dbraw/zinc/40/61/83/1070406183.db2.gz BTKAGDALBFBAPR-QFIPXVFZSA-N 1 1 468.646 3.884 20 0 JHADMO CCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001314490384 1070402369 /nfs/dbraw/zinc/40/23/69/1070402369.db2.gz OYKOTJZFKCOSRZ-URXFXBBRSA-N 1 1 485.673 3.738 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001313460654 1070412098 /nfs/dbraw/zinc/41/20/98/1070412098.db2.gz SZXUKYUAAZGPGV-VQTJNVASSA-N 1 1 490.599 3.773 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1CC ZINC001314493100 1070406898 /nfs/dbraw/zinc/40/68/98/1070406898.db2.gz FHLVJJRHKQRMKV-KRWDZBQOSA-N 1 1 483.583 3.564 20 0 JHADMO 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CCOCC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(Br)cc2)CC1 ZINC001314495438 1070413698 /nfs/dbraw/zinc/41/36/98/1070413698.db2.gz ZBYTYLGYPUTNBL-GOSISDBHSA-N 1 1 464.452 3.955 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)C[C@H]1CC ZINC001314495641 1070414471 /nfs/dbraw/zinc/41/44/71/1070414471.db2.gz JMPAHKVAQGUAGX-QGZVFWFLSA-N 1 1 476.050 3.630 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1CC ZINC001314495843 1070416254 /nfs/dbraw/zinc/41/62/54/1070416254.db2.gz KNQZKBCTUDLONV-NVQXNPDNSA-N 1 1 472.678 3.552 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2ccnc2C)C[C@@H]1CC ZINC001314496500 1070417955 /nfs/dbraw/zinc/41/79/55/1070417955.db2.gz RKOLZHVCSMBRJD-FQEVSTJZSA-N 1 1 472.037 3.741 20 0 JHADMO Brc1cccc(OCC[N@H+](Cc2cnc3n2CCOC3)C[C@@H]2CCCS2)c1 ZINC001308728639 1070426787 /nfs/dbraw/zinc/42/67/87/1070426787.db2.gz KNQZTOGBJKDINR-IBGZPJMESA-N 1 1 452.418 3.952 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 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1070451588 /nfs/dbraw/zinc/45/15/88/1070451588.db2.gz RAGUMOXMMJAZHC-QZTJIDSGSA-N 1 1 459.559 3.537 20 0 JHADMO C[N@@H+]1CC[C@H](Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC001308871944 1070452243 /nfs/dbraw/zinc/45/22/43/1070452243.db2.gz ICTWCXKYKUYNFU-XUVXKRRUSA-N 1 1 457.372 3.967 20 0 JHADMO C[N@H+]1CC[C@H](Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC001308871944 1070452254 /nfs/dbraw/zinc/45/22/54/1070452254.db2.gz ICTWCXKYKUYNFU-XUVXKRRUSA-N 1 1 457.372 3.967 20 0 JHADMO CNc1ccccc1C[N@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001308872635 1070452323 /nfs/dbraw/zinc/45/23/23/1070452323.db2.gz IVGBQWVIMIUPJY-FQEVSTJZSA-N 1 1 454.619 3.888 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001313469568 1070453011 /nfs/dbraw/zinc/45/30/11/1070453011.db2.gz XEOXRRNXJSGFSW-SFHVURJKSA-N 1 1 459.038 3.683 20 0 JHADMO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314506881 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CNC(=O)CCOc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001310288039 1071271960 /nfs/dbraw/zinc/27/19/60/1071271960.db2.gz RHLKKBYYFYODLU-SANMLTNESA-N 1 1 450.583 3.722 20 0 JHADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001313819150 1071272094 /nfs/dbraw/zinc/27/20/94/1071272094.db2.gz YIEWFSZYRRWKNQ-HXUWFJFHSA-N 1 1 450.672 3.948 20 0 JHADMO C[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC001314866863 1071272425 /nfs/dbraw/zinc/27/24/25/1071272425.db2.gz OZDXMJQBFHEWPX-UHFFFAOYSA-N 1 1 498.569 3.945 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C)C(C)C ZINC001313819388 1071273124 /nfs/dbraw/zinc/27/31/24/1071273124.db2.gz BHQZDAVGYVMADB-OAQYLSRUSA-N 1 1 465.621 3.848 20 0 JHADMO CN(CCn1cccn1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314869409 1071278636 /nfs/dbraw/zinc/27/86/36/1071278636.db2.gz KFARQWPPKFISBB-NRFANRHFSA-N 1 1 457.573 3.600 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001313820726 1071279153 /nfs/dbraw/zinc/27/91/53/1071279153.db2.gz UNEBGHRSXVPFHG-FQEVSTJZSA-N 1 1 482.595 3.969 20 0 JHADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)C(C)C ZINC001313821087 1071280484 /nfs/dbraw/zinc/28/04/84/1071280484.db2.gz QQEQOJAVWUMIFY-NRFANRHFSA-N 1 1 465.621 3.848 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001313819648 1071274794 /nfs/dbraw/zinc/27/47/94/1071274794.db2.gz DSEDGCRHVLMREV-LJQANCHMSA-N 1 1 488.608 3.584 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C)C1CC1 ZINC001313820154 1071276300 /nfs/dbraw/zinc/27/63/00/1071276300.db2.gz KLGXICCWQACOQJ-OAQYLSRUSA-N 1 1 482.673 3.830 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)C ZINC001313821141 1071280409 /nfs/dbraw/zinc/28/04/09/1071280409.db2.gz SZILEMBYMQBSLX-UHFFFAOYSA-N 1 1 487.693 3.742 20 0 JHADMO CC[N@@H+](CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCOC1)CCC(F)(F)F ZINC001313821647 1071283278 /nfs/dbraw/zinc/28/32/78/1071283278.db2.gz FPJWFKWLNFIBPW-IBGZPJMESA-N 1 1 464.536 3.781 20 0 JHADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 ZINC001310300845 1071283489 /nfs/dbraw/zinc/28/34/89/1071283489.db2.gz HOPPMZGSJLAKDG-QGZVFWFLSA-N 1 1 451.539 3.744 20 0 JHADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001313821913 1071283912 /nfs/dbraw/zinc/28/39/12/1071283912.db2.gz IQVWWNVMQPHVPG-UHFFFAOYSA-N 1 1 466.552 3.786 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1ccnc1 ZINC001314871576 1071284182 /nfs/dbraw/zinc/28/41/82/1071284182.db2.gz CPHJTHOIRSKIJD-UHFFFAOYSA-N 1 1 465.646 3.648 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1ccnc1 ZINC001314871576 1071284188 /nfs/dbraw/zinc/28/41/88/1071284188.db2.gz CPHJTHOIRSKIJD-UHFFFAOYSA-N 1 1 465.646 3.648 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001313822016 1071284678 /nfs/dbraw/zinc/28/46/78/1071284678.db2.gz LJKWPGVJQNGSMB-UHFFFAOYSA-N 1 1 489.686 3.698 20 0 JHADMO CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314871843 1071285000 /nfs/dbraw/zinc/28/50/00/1071285000.db2.gz DRMZPMADYSNXLC-UHFFFAOYSA-N 1 1 486.680 3.677 20 0 JHADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001310304150 1071286631 /nfs/dbraw/zinc/28/66/31/1071286631.db2.gz XHRGVLVGBLIANR-NRFANRHFSA-N 1 1 459.612 3.671 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCC1(C)C ZINC001314872604 1071286705 /nfs/dbraw/zinc/28/67/05/1071286705.db2.gz LQBMTMZCWFOMPH-LJQANCHMSA-N 1 1 488.702 3.643 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCC1(C)C ZINC001314872604 1071286722 /nfs/dbraw/zinc/28/67/22/1071286722.db2.gz LQBMTMZCWFOMPH-LJQANCHMSA-N 1 1 488.702 3.643 20 0 JHADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(O)cc2C1)CCC(F)(F)F ZINC001313823236 1071288263 /nfs/dbraw/zinc/28/82/63/1071288263.db2.gz YUOWGPBILAMSTR-UHFFFAOYSA-N 1 1 491.562 3.682 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@]1(C)OCCc2sccc21 ZINC001314873046 1071289642 /nfs/dbraw/zinc/28/96/42/1071289642.db2.gz SNJBNUGTFRIGQS-VWLOTQADSA-N 1 1 475.703 3.963 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@]1(C)OCCc2sccc21 ZINC001314873046 1071289651 /nfs/dbraw/zinc/28/96/51/1071289651.db2.gz SNJBNUGTFRIGQS-VWLOTQADSA-N 1 1 475.703 3.963 20 0 JHADMO CC[N@@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@H]1COc2ccccc2O1)CCC(F)(F)F ZINC001313826922 1071296996 /nfs/dbraw/zinc/29/69/96/1071296996.db2.gz OURHVRVZBNAXSE-QGZVFWFLSA-N 1 1 465.480 3.542 20 0 JHADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)C1CCCCC1 ZINC001313826741 1071297116 /nfs/dbraw/zinc/29/71/16/1071297116.db2.gz PQFWGTAKYKKDTA-UHFFFAOYSA-N 1 1 484.670 3.629 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(C2CCCC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001314877266 1071295353 /nfs/dbraw/zinc/29/53/53/1071295353.db2.gz JNQXBVSDCKDZEC-HSZRJFAPSA-N 1 1 455.647 3.802 20 0 JHADMO CN(CCOc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314881916 1071307236 /nfs/dbraw/zinc/30/72/36/1071307236.db2.gz KRPOQTQKFCMBFW-UHFFFAOYSA-N 1 1 495.603 3.702 20 0 JHADMO CN(CCOc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314881813 1071307326 /nfs/dbraw/zinc/30/73/26/1071307326.db2.gz HLQQENSMGPOKEK-OAQYLSRUSA-N 1 1 477.613 3.561 20 0 JHADMO CN(CCOc1ccccc1Cl)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314881550 1071306185 /nfs/dbraw/zinc/30/61/85/1071306185.db2.gz DUWMCQNSFHWPBK-UHFFFAOYSA-N 1 1 485.032 3.543 20 0 JHADMO CN(CCOc1ccccc1Cl)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001314881550 1071306202 /nfs/dbraw/zinc/30/62/02/1071306202.db2.gz DUWMCQNSFHWPBK-UHFFFAOYSA-N 1 1 485.032 3.543 20 0 JHADMO 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O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001310374279 1071349945 /nfs/dbraw/zinc/34/99/45/1071349945.db2.gz VGKWPAFEGCOUKF-JOCHJYFZSA-N 1 1 456.612 3.551 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313858530 1071359352 /nfs/dbraw/zinc/35/93/52/1071359352.db2.gz BLBYNGUFYUZYAD-CVEARBPZSA-N 1 1 475.544 3.521 20 0 JHADMO 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 1071359477 /nfs/dbraw/zinc/35/94/77/1071359477.db2.gz BKLSNTLGTWEBRP-RVKKMQEKSA-N 1 1 471.499 3.890 20 0 JHADMO Cn1cc(Br)cc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1=O ZINC001310387373 1071359915 /nfs/dbraw/zinc/35/99/15/1071359915.db2.gz HDRSHKCIYKNAGF-UHFFFAOYSA-N 1 1 459.344 3.695 20 0 JHADMO Cn1cc(Br)cc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1=O ZINC001310387373 1071359929 /nfs/dbraw/zinc/35/99/29/1071359929.db2.gz HDRSHKCIYKNAGF-UHFFFAOYSA-N 1 1 459.344 3.695 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313858953 1071362996 /nfs/dbraw/zinc/36/29/96/1071362996.db2.gz CVGOVUJEGNNRRV-SFTDATJTSA-N 1 1 498.697 3.936 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364707 /nfs/dbraw/zinc/36/47/07/1071364707.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 1 1 456.610 3.738 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364715 /nfs/dbraw/zinc/36/47/15/1071364715.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 1 1 456.610 3.738 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859625 1071365219 /nfs/dbraw/zinc/36/52/19/1071365219.db2.gz HHXOHLYYOLXOGV-SJORKVTESA-N 1 1 495.466 3.540 20 0 JHADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001314924964 1071367194 /nfs/dbraw/zinc/36/71/94/1071367194.db2.gz YFPPSGKCCVLTRA-QHCPKHFHSA-N 1 1 474.447 3.957 20 0 JHADMO 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CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC001310409448 1071373819 /nfs/dbraw/zinc/37/38/19/1071373819.db2.gz RLDGWYVVENGOND-QRWLVFNGSA-N 1 1 453.008 3.841 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313861384 1071373903 /nfs/dbraw/zinc/37/39/03/1071373903.db2.gz PGZNFZKJVIMZAY-PMACEKPBSA-N 1 1 498.672 3.720 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313862437 1071377407 /nfs/dbraw/zinc/37/74/07/1071377407.db2.gz AEUZBLGLQFYJDD-LSDHHAIUSA-N 1 1 476.050 3.929 20 0 JHADMO C[N@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1(C)C ZINC001314931741 1071376694 /nfs/dbraw/zinc/37/66/94/1071376694.db2.gz VCDUFPBNXLAPRP-IBGZPJMESA-N 1 1 452.638 3.764 20 0 JHADMO CN1CC[N@H+](CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1(C)C ZINC001314931741 1071376708 /nfs/dbraw/zinc/37/67/08/1071376708.db2.gz VCDUFPBNXLAPRP-IBGZPJMESA-N 1 1 452.638 3.764 20 0 JHADMO CN1CC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1(C)C ZINC001314931741 1071376721 /nfs/dbraw/zinc/37/67/21/1071376721.db2.gz VCDUFPBNXLAPRP-IBGZPJMESA-N 1 1 452.638 3.764 20 0 JHADMO C[N@H+]1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932058 1071377783 /nfs/dbraw/zinc/37/77/83/1071377783.db2.gz YADHIQMGSWNWON-QGZVFWFLSA-N 1 1 482.570 3.655 20 0 JHADMO CN1CC[N@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932058 1071377797 /nfs/dbraw/zinc/37/77/97/1071377797.db2.gz YADHIQMGSWNWON-QGZVFWFLSA-N 1 1 482.570 3.655 20 0 JHADMO CN1CC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932058 1071377807 /nfs/dbraw/zinc/37/78/07/1071377807.db2.gz YADHIQMGSWNWON-QGZVFWFLSA-N 1 1 482.570 3.655 20 0 JHADMO C[N@H+]1CCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932068 1071378479 /nfs/dbraw/zinc/37/84/79/1071378479.db2.gz YSRCQUBEQAQCDO-JOCHJYFZSA-N 1 1 474.644 3.961 20 0 JHADMO 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CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@H]2CCOC2)C[C@@H]1C ZINC001313867129 1071398102 /nfs/dbraw/zinc/39/81/02/1071398102.db2.gz LONQBKVMPLKCRS-SLFFLAALSA-N 1 1 462.038 3.961 20 0 JHADMO 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 ZINC001313867136 1071398176 /nfs/dbraw/zinc/39/81/76/1071398176.db2.gz LPMNFQIRVPMCRU-OEEHMVQOSA-N 1 1 471.646 3.942 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)C[C@H]1C ZINC001313867585 1071398707 /nfs/dbraw/zinc/39/87/07/1071398707.db2.gz MHYIXIIVNACSSR-HZPDHXFCSA-N 1 1 454.575 3.534 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313868118 1071402452 /nfs/dbraw/zinc/40/24/52/1071402452.db2.gz AQEVXPYMDIFWQE-VQTJNVASSA-N 1 1 451.594 3.824 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313868150 1071403507 /nfs/dbraw/zinc/40/35/07/1071403507.db2.gz AUTYXNVFJYUMJK-RTBURBONSA-N 1 1 455.006 3.915 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001313868759 1071406372 /nfs/dbraw/zinc/40/63/72/1071406372.db2.gz NOLWDRUUFPVDEX-LXHROKJGSA-N 1 1 490.693 3.737 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313868775 1071406488 /nfs/dbraw/zinc/40/64/88/1071406488.db2.gz NWOKNDZBNPIXNH-HBFSDRIKSA-N 1 1 494.482 3.878 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@H]1C ZINC001313868993 1071407349 /nfs/dbraw/zinc/40/73/49/1071407349.db2.gz CBJSKHGTESTUBU-NHCUHLMSSA-N 1 1 452.647 3.566 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313869296 1071408365 /nfs/dbraw/zinc/40/83/65/1071408365.db2.gz CHSAMTYDESMNDV-NHCUHLMSSA-N 1 1 464.614 3.641 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001314950128 1071416933 /nfs/dbraw/zinc/41/69/33/1071416933.db2.gz FSMZZZCOXBINBA-RTWAWAEBSA-N 1 1 477.657 3.966 20 0 JHADMO 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CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313871637 1071417478 /nfs/dbraw/zinc/41/74/78/1071417478.db2.gz GVMKKFFBCSJODW-SJORKVTESA-N 1 1 456.541 3.518 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313871755 1071418261 /nfs/dbraw/zinc/41/82/61/1071418261.db2.gz HWNMSRUNNHOSFQ-ZWKOTPCHSA-N 1 1 477.579 3.850 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313871754 1071418274 /nfs/dbraw/zinc/41/82/74/1071418274.db2.gz HWNMSRUNNHOSFQ-ROUUACIJSA-N 1 1 477.579 3.850 20 0 JHADMO 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 ZINC001313871875 1071418990 /nfs/dbraw/zinc/41/89/90/1071418990.db2.gz UMGIIKBCIWOPQZ-UFYCRDLUSA-N 1 1 487.649 3.656 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313873734 1071426515 /nfs/dbraw/zinc/42/65/15/1071426515.db2.gz LWAFQJWKPUQCKB-RBUKOAKNSA-N 1 1 456.038 3.808 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313874083 1071427168 /nfs/dbraw/zinc/42/71/68/1071427168.db2.gz MKZRZFHAKAUSBW-RTBURBONSA-N 1 1 482.094 3.656 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001313874525 1071428933 /nfs/dbraw/zinc/42/89/33/1071428933.db2.gz IOZMVNLPZYMETF-UXHICEINSA-N 1 1 488.702 3.785 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314958918 1071431996 /nfs/dbraw/zinc/43/19/96/1071431996.db2.gz SFVOUVTZDOOQJK-JTHBVZDNSA-N 1 1 454.663 3.597 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001314959609 1071432691 /nfs/dbraw/zinc/43/26/91/1071432691.db2.gz YETFUVULYKNHDG-PZJWPPBQSA-N 1 1 454.663 3.506 20 0 JHADMO 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 ZINC001313877581 1071442447 /nfs/dbraw/zinc/44/24/47/1071442447.db2.gz RHJJDFRHZJWQBI-VQTJNVASSA-N 1 1 484.689 3.846 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@@H]1C ZINC001313878784 1071445954 /nfs/dbraw/zinc/44/59/54/1071445954.db2.gz VRLKIABPQCJTDN-FCHUYYIVSA-N 1 1 481.645 3.536 20 0 JHADMO 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 ZINC001313881309 1071454515 /nfs/dbraw/zinc/45/45/15/1071454515.db2.gz CANWPBRNWPYFQO-NTZUZEMLSA-N 1 1 455.594 3.540 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001314971432 1071458058 /nfs/dbraw/zinc/45/80/58/1071458058.db2.gz NVXXAZVATPCUJX-SANMLTNESA-N 1 1 480.682 3.781 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001314971408 1071458158 /nfs/dbraw/zinc/45/81/58/1071458158.db2.gz RUMSQBLPWDIJTE-LVXARBLLSA-N 1 1 487.092 3.853 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001313882422 1071458110 /nfs/dbraw/zinc/45/81/10/1071458110.db2.gz FTIUQKKPKBUYIV-WOJBJXKFSA-N 1 1 483.686 3.864 20 0 JHADMO 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 ZINC001313882677 1071458290 /nfs/dbraw/zinc/45/82/90/1071458290.db2.gz GCOSOPDLJKBTSZ-OLDNAUNWSA-N 1 1 490.693 3.519 20 0 JHADMO 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 ZINC001313883120 1071460651 /nfs/dbraw/zinc/46/06/51/1071460651.db2.gz IHOKTKXAIQKCMR-ALGQRKQJSA-N 1 1 476.666 3.694 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001313883141 1071461285 /nfs/dbraw/zinc/46/12/85/1071461285.db2.gz INFPKIPZARXFTE-XWUOBKMESA-N 1 1 476.691 3.709 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(COC)CC2)C1 ZINC001313883461 1071461479 /nfs/dbraw/zinc/46/14/79/1071461479.db2.gz HQWKBPYAFPILEX-SFHVURJKSA-N 1 1 462.436 3.912 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313883491 1071462143 /nfs/dbraw/zinc/46/21/43/1071462143.db2.gz IDVYUYHYWBAMBK-ICSRJNTNSA-N 1 1 489.064 3.766 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001313884726 1071464993 /nfs/dbraw/zinc/46/49/93/1071464993.db2.gz SCGNSSOPVGXRCT-MDPIYQRISA-N 1 1 478.037 3.653 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001313885044 1071465864 /nfs/dbraw/zinc/46/58/64/1071465864.db2.gz WHNSLHXKUXONHK-NJYVYQBISA-N 1 1 486.636 3.592 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313885684 1071467023 /nfs/dbraw/zinc/46/70/23/1071467023.db2.gz GVUZFWLFXUNOET-SFHVURJKSA-N 1 1 477.028 3.774 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001313885615 1071467070 /nfs/dbraw/zinc/46/70/70/1071467070.db2.gz FGBBQEWDPMCAAE-GOSISDBHSA-N 1 1 468.543 3.618 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313886187 1071469083 /nfs/dbraw/zinc/46/90/83/1071469083.db2.gz MTBAFBIZEZCBFM-OALUTQOASA-N 1 1 459.038 3.633 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001313886559 1071470897 /nfs/dbraw/zinc/47/08/97/1071470897.db2.gz OULUFRODOCUEJQ-QHCPKHFHSA-N 1 1 482.673 3.770 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)C1 ZINC001313887396 1071473553 /nfs/dbraw/zinc/47/35/53/1071473553.db2.gz CNDYGLOASFGRDC-JXXFODFXSA-N 1 1 467.536 3.939 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001313888020 1071475062 /nfs/dbraw/zinc/47/50/62/1071475062.db2.gz FQZJQIKWOBKJOT-QHGAOEGBSA-N 1 1 477.028 3.963 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313887852 1071475075 /nfs/dbraw/zinc/47/50/75/1071475075.db2.gz WFSSGRBEYUFGLL-IRFCIJBXSA-N 1 1 470.687 3.712 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001313888680 1071478310 /nfs/dbraw/zinc/47/83/10/1071478310.db2.gz XHRGLYPGZKVZPO-MSYCTHLASA-N 1 1 461.701 3.666 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001313889363 1071479942 /nfs/dbraw/zinc/47/99/42/1071479942.db2.gz AFKTZBJIDJVVAX-JKSUJKDBSA-N 1 1 468.465 3.974 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@@H]1C ZINC001313889403 1071480087 /nfs/dbraw/zinc/48/00/87/1071480087.db2.gz YBORVWUJEFAQKB-FKEBYFGASA-N 1 1 463.667 3.660 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001313889860 1071481492 /nfs/dbraw/zinc/48/14/92/1071481492.db2.gz JVKHVLOEMRNBBR-QGZVFWFLSA-N 1 1 488.608 3.916 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313890940 1071483976 /nfs/dbraw/zinc/48/39/76/1071483976.db2.gz QUZQVDMNYQDGKD-FGZHOGPDSA-N 1 1 498.672 3.953 20 0 JHADMO CNC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001314981277 1071484292 /nfs/dbraw/zinc/48/42/92/1071484292.db2.gz DSXGZWLTZVWJGR-UHFFFAOYSA-N 1 1 495.697 3.598 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313894390 1071493319 /nfs/dbraw/zinc/49/33/19/1071493319.db2.gz VODDOUHFTMLSIW-SFHVURJKSA-N 1 1 456.944 3.767 20 0 JHADMO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)cn1 ZINC001313894857 1071494941 /nfs/dbraw/zinc/49/49/41/1071494941.db2.gz XKDGJQMIVVIUDK-AZUAARDMSA-N 1 1 455.582 3.894 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSCC1 ZINC001313895184 1071495640 /nfs/dbraw/zinc/49/56/40/1071495640.db2.gz GLLPWGIMPFCUDW-OAHLLOKOSA-N 1 1 454.413 3.884 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313895415 1071495804 /nfs/dbraw/zinc/49/58/04/1071495804.db2.gz LOSFOFSLBGVZDM-RBBKRZOGSA-N 1 1 497.688 3.735 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313895511 1071497235 /nfs/dbraw/zinc/49/72/35/1071497235.db2.gz IDIINMZKHLLXCB-IEBWSBKVSA-N 1 1 490.052 3.923 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313895638 1071498012 /nfs/dbraw/zinc/49/80/12/1071498012.db2.gz AVLOFYDTTXZXAL-BWKNWUBXSA-N 1 1 489.064 3.741 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313896894 1071500909 /nfs/dbraw/zinc/50/09/09/1071500909.db2.gz SMVMLXUWLAUSQU-IBGZPJMESA-N 1 1 479.044 3.769 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313897177 1071501930 /nfs/dbraw/zinc/50/19/30/1071501930.db2.gz UYWPLPWIYRFLJC-RTWAWAEBSA-N 1 1 485.629 3.615 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313897198 1071501955 /nfs/dbraw/zinc/50/19/55/1071501955.db2.gz VKLYLXMETTXVCY-SFHVURJKSA-N 1 1 477.535 3.827 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314988737 1071502031 /nfs/dbraw/zinc/50/20/31/1071502031.db2.gz MAGQJENSXGHJCF-CMKODMSKSA-N 1 1 490.599 3.629 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001313897526 1071502672 /nfs/dbraw/zinc/50/26/72/1071502672.db2.gz XUOUVYMWRZHDRK-UNMCSNQZSA-N 1 1 468.646 3.521 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001313900050 1071508523 /nfs/dbraw/zinc/50/85/23/1071508523.db2.gz YTVWQUNVKMBTIH-QHCPKHFHSA-N 1 1 452.647 3.727 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898284 1071504822 /nfs/dbraw/zinc/50/48/22/1071504822.db2.gz PLEALDKTUDWHBJ-WIYYLYMNSA-N 1 1 459.038 3.972 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001313899263 1071507951 /nfs/dbraw/zinc/50/79/51/1071507951.db2.gz IKHFSQHTODGJOB-PLTNMMHCSA-N 1 1 457.669 3.789 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001313901254 1071511045 /nfs/dbraw/zinc/51/10/45/1071511045.db2.gz DTUXLLHXXSCUSI-HXUWFJFHSA-N 1 1 450.587 3.786 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314994407 1071511617 /nfs/dbraw/zinc/51/16/17/1071511617.db2.gz NEIGONAOCCYCQX-VXKWHMMOSA-N 1 1 482.673 3.638 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314996633 1071514695 /nfs/dbraw/zinc/51/46/95/1071514695.db2.gz YYHYZACFLQJCIG-XJUOHMSHSA-N 1 1 466.674 3.974 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313903343 1071515570 /nfs/dbraw/zinc/51/55/70/1071515570.db2.gz APOQWSKRDLMMEC-QUCCMNQESA-N 1 1 457.619 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCCCO)C1CC1 ZINC001313903365 1071515720 /nfs/dbraw/zinc/51/57/20/1071515720.db2.gz AXYSUBRKKABQGJ-GOSISDBHSA-N 1 1 465.440 3.651 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313903875 1071516547 /nfs/dbraw/zinc/51/65/47/1071516547.db2.gz FITOXBFHMFWTIY-HSZRJFAPSA-N 1 1 470.637 3.696 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314997798 1071516947 /nfs/dbraw/zinc/51/69/47/1071516947.db2.gz YINJIIJFCYODMM-BHDDXSALSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001313904174 1071517169 /nfs/dbraw/zinc/51/71/69/1071517169.db2.gz PRLXSHPHOBSYNT-INIZCTEOSA-N 1 1 492.571 3.808 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905536 1071521529 /nfs/dbraw/zinc/52/15/29/1071521529.db2.gz MLRJFPQLUJAGIZ-HNNXBMFYSA-N 1 1 464.401 3.699 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313905703 1071521969 /nfs/dbraw/zinc/52/19/69/1071521969.db2.gz QONPNUUMPIRBMH-IBGZPJMESA-N 1 1 474.009 3.681 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905722 1071522099 /nfs/dbraw/zinc/52/20/99/1071522099.db2.gz QWFPYRFIMWGEOB-MLDBQTBOSA-N 1 1 459.610 3.818 20 0 JHADMO CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 ZINC001313907009 1071525809 /nfs/dbraw/zinc/52/58/09/1071525809.db2.gz VIUXAVCNEMKYFP-FQEVSTJZSA-N 1 1 458.676 3.594 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 ZINC001313907009 1071525817 /nfs/dbraw/zinc/52/58/17/1071525817.db2.gz VIUXAVCNEMKYFP-FQEVSTJZSA-N 1 1 458.676 3.594 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313906167 1071523382 /nfs/dbraw/zinc/52/33/82/1071523382.db2.gz UOVPYMZUWCSDOT-JZXOWHBKSA-N 1 1 465.440 3.534 20 0 JHADMO 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 1071526527 /nfs/dbraw/zinc/52/65/27/1071526527.db2.gz YCXCUILXKFIPHR-YSTOQKLRSA-N 1 1 476.666 3.537 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNC(=O)C(C)C ZINC001313907435 1071527515 /nfs/dbraw/zinc/52/75/15/1071527515.db2.gz FJAHEMYJBBDWMC-FQEVSTJZSA-N 1 1 452.603 3.774 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313907513 1071528176 /nfs/dbraw/zinc/52/81/76/1071528176.db2.gz HBPZMKJCUVZDQE-MJGOQNOKSA-N 1 1 489.462 3.639 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313909103 1071531939 /nfs/dbraw/zinc/53/19/39/1071531939.db2.gz MZOYVRYYWWQKEC-JOCHJYFZSA-N 1 1 468.646 3.699 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313910616 1071536517 /nfs/dbraw/zinc/53/65/17/1071536517.db2.gz XLYOQAGSZUAQTJ-WMZOPIPTSA-N 1 1 479.000 3.889 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313909876 1071534011 /nfs/dbraw/zinc/53/40/11/1071534011.db2.gz SXVLCZVZRBRJPY-JTHBVZDNSA-N 1 1 468.646 3.605 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910222 1071535179 /nfs/dbraw/zinc/53/51/79/1071535179.db2.gz VXUKAJFRKVWOED-GOTSBHOMSA-N 1 1 497.688 3.974 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313910280 1071535314 /nfs/dbraw/zinc/53/53/14/1071535314.db2.gz FLHDWFAKAWLNSO-QHCPKHFHSA-N 1 1 470.637 3.577 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313910454 1071535967 /nfs/dbraw/zinc/53/59/67/1071535967.db2.gz KIKXFLCSQMMCMJ-MRXNPFEDSA-N 1 1 450.513 3.536 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313911546 1071537603 /nfs/dbraw/zinc/53/76/03/1071537603.db2.gz CVJJHUHSYSTKHA-NLFFAJNJSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001313911140 1071537713 /nfs/dbraw/zinc/53/77/13/1071537713.db2.gz HZAMSLWLPROATK-QFIPXVFZSA-N 1 1 473.065 3.967 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912217 1071539519 /nfs/dbraw/zinc/53/95/19/1071539519.db2.gz MXCDWDDDNVUCTO-PWRODBHTSA-N 1 1 476.666 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912212 1071539549 /nfs/dbraw/zinc/53/95/49/1071539549.db2.gz MXCDWDDDNVUCTO-NJDAHSKKSA-N 1 1 476.666 3.745 20 0 JHADMO 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 1071544958 /nfs/dbraw/zinc/54/49/58/1071544958.db2.gz LSLWLIMLEIWQMA-JSXRDJHFSA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001313914151 1071546374 /nfs/dbraw/zinc/54/63/74/1071546374.db2.gz SCUDSNOPHRRXCK-VXKWHMMOSA-N 1 1 474.719 3.922 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313913464 1071543437 /nfs/dbraw/zinc/54/34/37/1071543437.db2.gz MTPCYOSYRCHDAG-BGYRXZFFSA-N 1 1 488.080 3.810 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313914697 1071548676 /nfs/dbraw/zinc/54/86/76/1071548676.db2.gz SYJNPTQFHARSET-WIYYLYMNSA-N 1 1 482.570 3.955 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915810 1071551355 /nfs/dbraw/zinc/55/13/55/1071551355.db2.gz SWSSBFDKWODIFJ-PWHSHALESA-N 1 1 455.594 3.675 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315027670 1071554498 /nfs/dbraw/zinc/55/44/98/1071554498.db2.gz WWOPCSOITRVHBJ-DEOSSOPVSA-N 1 1 496.700 3.545 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C/C=C\c3ccccc3)CC2)CC1 ZINC001313923593 1071567381 /nfs/dbraw/zinc/56/73/81/1071567381.db2.gz QTTCGZMNCHZKRL-FLIBITNWSA-N 1 1 464.658 3.886 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)C)CC2)CC1 ZINC001313923510 1071567473 /nfs/dbraw/zinc/56/74/73/1071567473.db2.gz OEMFKAWOTNKQDX-RUZDIDTESA-N 1 1 496.700 3.695 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923918 1071568933 /nfs/dbraw/zinc/56/89/33/1071568933.db2.gz AVADEBNFYVMBNJ-PMACEKPBSA-N 1 1 452.603 3.770 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926119 1071575688 /nfs/dbraw/zinc/57/56/88/1071575688.db2.gz CMGKGYHNQGEWEC-HSZRJFAPSA-N 1 1 467.706 3.528 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925764 1071574721 /nfs/dbraw/zinc/57/47/21/1071574721.db2.gz AGMFSZNTIMNMBB-YADHBBJMSA-N 1 1 477.657 3.881 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925730 1071574773 /nfs/dbraw/zinc/57/47/73/1071574773.db2.gz BMIJPVNWESIISA-VWNXMTODSA-N 1 1 498.716 3.687 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313925762 1071574922 /nfs/dbraw/zinc/57/49/22/1071574922.db2.gz AGMFSZNTIMNMBB-FGZHOGPDSA-N 1 1 477.657 3.881 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926558 1071576729 /nfs/dbraw/zinc/57/67/29/1071576729.db2.gz DICBRDGYKYOVAY-SBHAEUEKSA-N 1 1 476.616 3.674 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315055095 1071580095 /nfs/dbraw/zinc/58/00/95/1071580095.db2.gz WVXRSUIMZYCUGU-GOSISDBHSA-N 1 1 474.053 3.570 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001313928922 1071585008 /nfs/dbraw/zinc/58/50/08/1071585008.db2.gz DSWJVMAPCWYBNH-SJLPKXTDSA-N 1 1 480.991 3.827 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929013 1071585093 /nfs/dbraw/zinc/58/50/93/1071585093.db2.gz WZSSOVUIWGVIBK-WBADGQHESA-N 1 1 492.778 3.801 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001313928920 1071585300 /nfs/dbraw/zinc/58/53/00/1071585300.db2.gz DSWJVMAPCWYBNH-FUHWJXTLSA-N 1 1 480.991 3.827 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@H]1C ZINC001313929737 1071587458 /nfs/dbraw/zinc/58/74/58/1071587458.db2.gz IRCMTVRUYOJQGR-MOPGFXCFSA-N 1 1 470.643 3.704 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313930080 1071587860 /nfs/dbraw/zinc/58/78/60/1071587860.db2.gz VAGBLAMIPFKTLN-OFNKIYASSA-N 1 1 474.694 3.612 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313931817 1071593204 /nfs/dbraw/zinc/59/32/04/1071593204.db2.gz IWOJOHPRZBULQA-MSOLQXFVSA-N 1 1 462.436 3.973 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSC(C)C)C[C@H]1C ZINC001313933607 1071598535 /nfs/dbraw/zinc/59/85/35/1071598535.db2.gz LQQZOPZDCDEVDY-QGZVFWFLSA-N 1 1 463.648 3.643 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313933723 1071599282 /nfs/dbraw/zinc/59/92/82/1071599282.db2.gz NCAYDAQFENJRON-MRXNPFEDSA-N 1 1 488.539 3.537 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2CCOC2)C[C@@H]1C ZINC001313934907 1071603647 /nfs/dbraw/zinc/60/36/47/1071603647.db2.gz DCNSXEYYTHBFEZ-IRXDYDNUSA-N 1 1 478.435 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313934351 1071602330 /nfs/dbraw/zinc/60/23/30/1071602330.db2.gz UIMFNPPPHJCSNZ-AWEZNQCLSA-N 1 1 495.422 3.913 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313934593 1071603036 /nfs/dbraw/zinc/60/30/36/1071603036.db2.gz SBSDXJKPUPWEAS-HNNXBMFYSA-N 1 1 476.494 3.571 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313935436 1071604896 /nfs/dbraw/zinc/60/48/96/1071604896.db2.gz WIFOHOYYOLFEMH-YJBOKZPZSA-N 1 1 467.456 3.638 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC001313935226 1071605320 /nfs/dbraw/zinc/60/53/20/1071605320.db2.gz GAXOAZFFIPYWHY-WMZOPIPTSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)C[C@H]1C ZINC001313936527 1071608469 /nfs/dbraw/zinc/60/84/69/1071608469.db2.gz PPLOAVGSIHSPTG-MRXNPFEDSA-N 1 1 466.424 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313936602 1071609126 /nfs/dbraw/zinc/60/91/26/1071609126.db2.gz GKRBIXMMRFBUOF-RBBKRZOGSA-N 1 1 483.661 3.675 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)OC)C[C@H]1C ZINC001313940598 1071615634 /nfs/dbraw/zinc/61/56/34/1071615634.db2.gz OPRSIMKYWRRCHQ-MOPGFXCFSA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313939485 1071613394 /nfs/dbraw/zinc/61/33/94/1071613394.db2.gz BEOABMNIJWZWDD-UNMCSNQZSA-N 1 1 478.607 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313941053 1071616344 /nfs/dbraw/zinc/61/63/44/1071616344.db2.gz RWXITXLSWPPRII-SFHVURJKSA-N 1 1 478.483 3.981 20 0 JHADMO 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 1071619600 /nfs/dbraw/zinc/61/96/00/1071619600.db2.gz DIBPEEDZLWFJIS-NJYVYQBISA-N 1 1 478.682 3.642 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942641 1071620772 /nfs/dbraw/zinc/62/07/72/1071620772.db2.gz JOABDOGGDOEKID-FYYLOGMGSA-N 1 1 498.716 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001313943631 1071623305 /nfs/dbraw/zinc/62/33/05/1071623305.db2.gz UJTZSUYNCROEDX-PZJWPPBQSA-N 1 1 461.701 3.853 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944274 1071624541 /nfs/dbraw/zinc/62/45/41/1071624541.db2.gz ZHIAUWLCDZHEJG-FYYLOGMGSA-N 1 1 454.663 3.505 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944791 1071624952 /nfs/dbraw/zinc/62/49/52/1071624952.db2.gz GNCTZIHCCPHOCM-BJKOFHAPSA-N 1 1 498.716 3.802 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946253 1071628026 /nfs/dbraw/zinc/62/80/26/1071628026.db2.gz AYSPSIHCOUTIOV-NRFANRHFSA-N 1 1 464.580 3.760 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946254 1071628455 /nfs/dbraw/zinc/62/84/55/1071628455.db2.gz AYSPSIHCOUTIOV-OAQYLSRUSA-N 1 1 464.580 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001313947420 1071631674 /nfs/dbraw/zinc/63/16/74/1071631674.db2.gz HARVFOLXZNAHPN-UUOWRZLLSA-N 1 1 459.660 3.925 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCCSC)C2)CC1 ZINC001313947924 1071632905 /nfs/dbraw/zinc/63/29/05/1071632905.db2.gz DIHJSGNPSFAXMC-LJQANCHMSA-N 1 1 478.657 3.507 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949203 1071635765 /nfs/dbraw/zinc/63/57/65/1071635765.db2.gz KMAORILTWOZAJC-JOCHJYFZSA-N 1 1 474.694 3.613 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635790 /nfs/dbraw/zinc/63/57/90/1071635790.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635793 /nfs/dbraw/zinc/63/57/93/1071635793.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 1 1 486.730 3.766 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949204 1071635915 /nfs/dbraw/zinc/63/59/15/1071635915.db2.gz WLUWPPOHOBRBOG-SFHVURJKSA-N 1 1 481.508 3.565 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950426 1071638079 /nfs/dbraw/zinc/63/80/79/1071638079.db2.gz PGWOFQXUAWMFNX-FNAHDJPLSA-N 1 1 472.653 3.923 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313950381 1071638253 /nfs/dbraw/zinc/63/82/53/1071638253.db2.gz PAXYZYZGWUKHHM-FHWLQOOXSA-N 1 1 492.510 3.792 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313950736 1071638806 /nfs/dbraw/zinc/63/88/06/1071638806.db2.gz WQKCEOSCXPUVLM-LJQANCHMSA-N 1 1 468.568 3.580 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313950789 1071639970 /nfs/dbraw/zinc/63/99/70/1071639970.db2.gz QRKYKACPGQENSL-FQEVSTJZSA-N 1 1 480.661 3.670 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951032 1071640430 /nfs/dbraw/zinc/64/04/30/1071640430.db2.gz CTROGPHNQMOZGT-QFIPXVFZSA-N 1 1 486.730 3.768 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001313951280 1071641083 /nfs/dbraw/zinc/64/10/83/1071641083.db2.gz SMSRYCFDNIEOCA-QFIPXVFZSA-N 1 1 488.124 3.651 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951220 1071641219 /nfs/dbraw/zinc/64/12/19/1071641219.db2.gz RMRWJTSLOVLBOR-HBMCJLEFSA-N 1 1 490.693 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313951417 1071642421 /nfs/dbraw/zinc/64/24/21/1071642421.db2.gz TYICZGNMZPLALO-IBGZPJMESA-N 1 1 492.590 3.567 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313951830 1071643809 /nfs/dbraw/zinc/64/38/09/1071643809.db2.gz KYSBKLUXWDQKKR-QZTJIDSGSA-N 1 1 478.483 3.546 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952182 1071644383 /nfs/dbraw/zinc/64/43/83/1071644383.db2.gz OIIYSEPIRAQGSH-OAQYLSRUSA-N 1 1 458.626 3.506 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952524 1071645889 /nfs/dbraw/zinc/64/58/89/1071645889.db2.gz RJRQOGDGHNKMQM-ISKFKSNPSA-N 1 1 468.690 3.817 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313953045 1071647143 /nfs/dbraw/zinc/64/71/43/1071647143.db2.gz FOXSZWKZENZOQA-PMACEKPBSA-N 1 1 461.054 3.630 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001313953343 1071648333 /nfs/dbraw/zinc/64/83/33/1071648333.db2.gz XQIRKLBRZQQOBO-XMMPIXPASA-N 1 1 454.663 3.867 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313953367 1071648458 /nfs/dbraw/zinc/64/84/58/1071648458.db2.gz YCMASCWHJWKJGA-LJQANCHMSA-N 1 1 461.054 3.773 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313953387 1071648467 /nfs/dbraw/zinc/64/84/67/1071648467.db2.gz CWRGRKCNODDRAI-QHCPKHFHSA-N 1 1 484.689 3.587 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cn(C)c4ccccc34)nnc2N(C)CC(C)C)CC1 ZINC001313953576 1071648957 /nfs/dbraw/zinc/64/89/57/1071648957.db2.gz IMSFPJJLUNUPJE-UHFFFAOYSA-N 1 1 451.663 3.947 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954253 1071651194 /nfs/dbraw/zinc/65/11/94/1071651194.db2.gz MNBIMWHTIGEXQH-TUNNFDKTSA-N 1 1 490.643 3.921 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001313953733 1071649513 /nfs/dbraw/zinc/64/95/13/1071649513.db2.gz JAOHXGZSSDFVFY-QHCPKHFHSA-N 1 1 476.616 3.852 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954257 1071651222 /nfs/dbraw/zinc/65/12/22/1071651222.db2.gz MNLJKNQGIPLDDE-WPFOTENUSA-N 1 1 454.663 3.991 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313954058 1071650014 /nfs/dbraw/zinc/65/00/14/1071650014.db2.gz MRGKKDLOHDYVQU-UHFFFAOYSA-N 1 1 460.617 3.735 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313953930 1071650058 /nfs/dbraw/zinc/65/00/58/1071650058.db2.gz LOHYJRFGVZHMFE-DNQXCXABSA-N 1 1 468.690 3.984 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954256 1071651304 /nfs/dbraw/zinc/65/13/04/1071651304.db2.gz MNLJKNQGIPLDDE-WMTXJRDZSA-N 1 1 454.663 3.991 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954188 1071650614 /nfs/dbraw/zinc/65/06/14/1071650614.db2.gz AVVJUEYMINPKSB-NRFANRHFSA-N 1 1 450.631 3.680 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313955846 1071656688 /nfs/dbraw/zinc/65/66/88/1071656688.db2.gz IVADBBOSSQYSPO-HBMCJLEFSA-N 1 1 474.644 3.903 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001313954891 1071653731 /nfs/dbraw/zinc/65/37/31/1071653731.db2.gz WJTAAMBFJUOFQU-JTHBVZDNSA-N 1 1 474.719 3.922 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313955013 1071654237 /nfs/dbraw/zinc/65/42/37/1071654237.db2.gz RQBRSBVLJOOUFJ-JOCHJYFZSA-N 1 1 468.690 3.885 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955276 1071654744 /nfs/dbraw/zinc/65/47/44/1071654744.db2.gz QXGZVVADKOPXMI-IRFCIJBXSA-N 1 1 476.616 3.531 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313955165 1071654979 /nfs/dbraw/zinc/65/49/79/1071654979.db2.gz FVZVQVHKUGHKKN-DNQXCXABSA-N 1 1 498.716 3.751 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313955338 1071655374 /nfs/dbraw/zinc/65/53/74/1071655374.db2.gz RPLSROAAEVRBDR-WOJBJXKFSA-N 1 1 455.676 3.816 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955405 1071655441 /nfs/dbraw/zinc/65/54/41/1071655441.db2.gz GYEDEJGTXFPCHJ-FQEVSTJZSA-N 1 1 473.735 3.924 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313956089 1071657307 /nfs/dbraw/zinc/65/73/07/1071657307.db2.gz KGAWKBASUNHLJX-REWPJTCUSA-N 1 1 486.730 3.689 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313957246 1071659417 /nfs/dbraw/zinc/65/94/17/1071659417.db2.gz PYRZAQPIAZCPJO-FCHUYYIVSA-N 1 1 490.643 3.921 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCCN1CC[NH+](CC)CC1 ZINC001313957088 1071659515 /nfs/dbraw/zinc/65/95/15/1071659515.db2.gz CPVCPOHYXZMTDC-UHFFFAOYSA-N 1 1 451.594 3.533 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313957602 1071660776 /nfs/dbraw/zinc/66/07/76/1071660776.db2.gz QTYMAPOXWGOVGA-BDTNDASRSA-N 1 1 456.654 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957922 1071661902 /nfs/dbraw/zinc/66/19/02/1071661902.db2.gz SBVSDERGOUVAIU-VXNXHJTFSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957953 1071662365 /nfs/dbraw/zinc/66/23/65/1071662365.db2.gz SRTWGGXVOZBXKH-HFZDXXHNSA-N 1 1 488.746 3.845 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313958840 1071665128 /nfs/dbraw/zinc/66/51/28/1071665128.db2.gz YIHQRABJXGPRMC-NHCUHLMSSA-N 1 1 467.687 3.796 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313958938 1071665172 /nfs/dbraw/zinc/66/51/72/1071665172.db2.gz XWTCLRYVLUHKFC-RUZDIDTESA-N 1 1 458.626 3.507 20 0 JHADMO CCN1CC[NH+](CCCn2c(N3CC[C@H](Oc4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313959270 1071666174 /nfs/dbraw/zinc/66/61/74/1071666174.db2.gz OJHWULQSTMEITR-FQEVSTJZSA-N 1 1 475.081 3.914 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313959754 1071667338 /nfs/dbraw/zinc/66/73/38/1071667338.db2.gz CFTGGSRAVUJRAJ-SFHVURJKSA-N 1 1 480.629 3.516 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313959729 1071667390 /nfs/dbraw/zinc/66/73/90/1071667390.db2.gz CBFOUAULOCYYRX-QHCPKHFHSA-N 1 1 484.689 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313960327 1071669941 /nfs/dbraw/zinc/66/99/41/1071669941.db2.gz IURYOEAQAFYHNL-LEWJYISDSA-N 1 1 458.626 3.821 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313961015 1071671741 /nfs/dbraw/zinc/67/17/41/1071671741.db2.gz OQMULJHKKDNAOI-PKTZIBPZSA-N 1 1 486.730 3.832 20 0 JHADMO CCn1nc(-c2nnc(N(C)Cc3ccoc3C)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313961734 1071673373 /nfs/dbraw/zinc/67/33/73/1071673373.db2.gz YPLLIOOOVCBEOR-UHFFFAOYSA-N 1 1 463.586 3.553 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313963189 1071677149 /nfs/dbraw/zinc/67/71/49/1071677149.db2.gz KSEUMFGCXOSKFI-FGZHOGPDSA-N 1 1 452.647 3.657 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313968399 1071692180 /nfs/dbraw/zinc/69/21/80/1071692180.db2.gz ZXLIQGSYJODCMB-IBGZPJMESA-N 1 1 496.059 3.867 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001313970511 1071695056 /nfs/dbraw/zinc/69/50/56/1071695056.db2.gz UTBYCMBTTUNCMF-SZPZYZBQSA-N 1 1 466.674 3.597 20 0 JHADMO CCNC(=O)C1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CCC1 ZINC001313975527 1071705968 /nfs/dbraw/zinc/70/59/68/1071705968.db2.gz RQKFBCGNLHIDRT-RBUKOAKNSA-N 1 1 489.064 3.908 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313996931 1071733937 /nfs/dbraw/zinc/73/39/37/1071733937.db2.gz QKXHVOXUAFPSKD-SZPZYZBQSA-N 1 1 481.689 3.863 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001314014924 1071755756 /nfs/dbraw/zinc/75/57/56/1071755756.db2.gz ZYNMBIBDYYCDAL-FQEVSTJZSA-N 1 1 454.619 3.795 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314017919 1071764311 /nfs/dbraw/zinc/76/43/11/1071764311.db2.gz IXVXEYQRVVCZQI-HXUWFJFHSA-N 1 1 460.667 3.800 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001314023064 1071777593 /nfs/dbraw/zinc/77/75/93/1071777593.db2.gz HRFSRZDUJKFKFG-UHFFFAOYSA-N 1 1 484.645 3.709 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001314025089 1071784907 /nfs/dbraw/zinc/78/49/07/1071784907.db2.gz WFEPFLAQDODHDS-FQEVSTJZSA-N 1 1 472.659 3.642 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001314026257 1071787908 /nfs/dbraw/zinc/78/79/08/1071787908.db2.gz LTJHUBURHVVNOY-LEWJYISDSA-N 1 1 456.635 3.945 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001314035217 1071821682 /nfs/dbraw/zinc/82/16/82/1071821682.db2.gz WGLMNUATDVFZMH-XLIONFOSSA-N 1 1 461.010 3.655 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001314045132 1071859288 /nfs/dbraw/zinc/85/92/88/1071859288.db2.gz YRFNONGIGUPLQH-JTHBVZDNSA-N 1 1 498.672 3.866 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314082893 1071947262 /nfs/dbraw/zinc/94/72/62/1071947262.db2.gz QVPOWDFFENEYRE-HFZDXXHNSA-N 1 1 471.646 3.696 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083733 1071949996 /nfs/dbraw/zinc/94/99/96/1071949996.db2.gz SNWAWCANESBKGD-CJFMBICVSA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001314084313 1071950935 /nfs/dbraw/zinc/95/09/35/1071950935.db2.gz WTTZTAROLKZOCI-CJFMBICVSA-N 1 1 492.064 3.721 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001314084315 1071951536 /nfs/dbraw/zinc/95/15/36/1071951536.db2.gz WTTZTAROLKZOCI-NBGIEHNGSA-N 1 1 492.064 3.721 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314085597 1071954602 /nfs/dbraw/zinc/95/46/02/1071954602.db2.gz PRARWHCHALGJAH-OSWQYVSFSA-N 1 1 477.600 3.965 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093934 1071971882 /nfs/dbraw/zinc/97/18/82/1071971882.db2.gz INYQRRXYGXTTSI-SAHWJRBASA-N 1 1 466.001 3.690 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093905 1071971896 /nfs/dbraw/zinc/97/18/96/1071971896.db2.gz IAUBMOKNBLLSAF-AXHZCLLHSA-N 1 1 461.676 3.888 20 0 JHADMO CCO[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314099862 1071983274 /nfs/dbraw/zinc/98/32/74/1071983274.db2.gz UYPSEFYROWGMLY-NBGIEHNGSA-N 1 1 463.667 3.589 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](CC)O[C@@H](C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001314104258 1071992058 /nfs/dbraw/zinc/99/20/58/1071992058.db2.gz SEQUVOAAAFZUCI-YEEURNOCSA-N 1 1 485.673 3.822 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC=C(COC)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314106337 1071997286 /nfs/dbraw/zinc/99/72/86/1071997286.db2.gz PYDTYAALEKGFMX-RDGATRHJSA-N 1 1 490.048 3.669 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC=C(COC)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314106332 1071997351 /nfs/dbraw/zinc/99/73/51/1071997351.db2.gz PYDTYAALEKGFMX-DHLKQENFSA-N 1 1 490.048 3.669 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314109851 1072003376 /nfs/dbraw/zinc/00/33/76/1072003376.db2.gz DGYSRDAGFKIRHB-SANMLTNESA-N 1 1 477.694 3.836 20 0 JHADMO 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CCC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001306543899 1069196014 /nfs/dbraw/zinc/19/60/14/1069196014.db2.gz AUIORXXULKJVGH-XMMPIXPASA-N 1 1 473.618 3.931 20 0 JHADMO CC1(C)CCc2nc(NC(=O)NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)sc2C1 ZINC001310890732 1069211820 /nfs/dbraw/zinc/21/18/20/1069211820.db2.gz RWNCICYWAKNVNK-GOSISDBHSA-N 1 1 455.628 3.677 20 0 JHADMO CCC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001306550407 1069213283 /nfs/dbraw/zinc/21/32/83/1069213283.db2.gz SKRYSHCQJCXLSS-RLWLMLJZSA-N 1 1 455.647 3.761 20 0 JHADMO COC(=O)[C@H]1CCc2sc(NC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905051 1069216958 /nfs/dbraw/zinc/21/69/58/1069216958.db2.gz STSIZFPHUDMIJS-OALUTQOASA-N 1 1 456.612 3.845 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001306556565 1069224649 /nfs/dbraw/zinc/22/46/49/1069224649.db2.gz TWKXTXIZQRUPDV-VWNXMTODSA-N 1 1 482.673 3.678 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935864 1069226880 /nfs/dbraw/zinc/22/68/80/1069226880.db2.gz IJTPVZUAXPQEBA-QZTJIDSGSA-N 1 1 458.525 3.652 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC001310955768 1069232941 /nfs/dbraw/zinc/23/29/41/1069232941.db2.gz XVOGAXHJLUIIOM-SVMVAKDDSA-N 1 1 456.562 3.844 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC001310955768 1069232954 /nfs/dbraw/zinc/23/29/54/1069232954.db2.gz XVOGAXHJLUIIOM-SVMVAKDDSA-N 1 1 456.562 3.844 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306567186 1069234629 /nfs/dbraw/zinc/23/46/29/1069234629.db2.gz PIZXJBQRLAVWBA-WOJBJXKFSA-N 1 1 461.614 3.997 20 0 JHADMO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001310978773 1069238580 /nfs/dbraw/zinc/23/85/80/1069238580.db2.gz ZFAQECCQHSNPQX-IAGOWNOFSA-N 1 1 457.987 3.863 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306578795 1069243885 /nfs/dbraw/zinc/24/38/85/1069243885.db2.gz WBQBWCSCRIAORI-SFTDATJTSA-N 1 1 495.672 3.657 20 0 JHADMO C[C@H](CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1)CN1CC[NH+](C)CC1 ZINC001311040570 1069255362 /nfs/dbraw/zinc/25/53/62/1069255362.db2.gz NNEXMHIAXUOKLC-CQSZACIVSA-N 1 1 452.422 3.578 20 0 JHADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)Nc1cc(Cl)c(Br)cc1F ZINC001311040917 1069255539 /nfs/dbraw/zinc/25/55/39/1069255539.db2.gz QOUOLVDGZFGKAW-CQSZACIVSA-N 1 1 456.743 3.782 20 0 JHADMO O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001311041669 1069256404 /nfs/dbraw/zinc/25/64/04/1069256404.db2.gz FYZSVPLBLHQKSA-IEBWSBKVSA-N 1 1 457.987 3.863 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC001311062254 1069261911 /nfs/dbraw/zinc/26/19/11/1069261911.db2.gz CVCHMWNGCIFIJL-CQSZACIVSA-N 1 1 458.422 3.555 20 0 JHADMO CCC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001306593857 1069264511 /nfs/dbraw/zinc/26/45/11/1069264511.db2.gz RMEDELZZIYVKRK-FWKCKQQBSA-N 1 1 477.694 3.559 20 0 JHADMO C[NH+](C)Cc1cc(NC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)ccn1 ZINC001311079803 1069266479 /nfs/dbraw/zinc/26/64/79/1069266479.db2.gz ABRWSXOZSWMYLG-DHIUTWEWSA-N 1 1 451.571 3.702 20 0 JHADMO 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 1069268454 /nfs/dbraw/zinc/26/84/54/1069268454.db2.gz XGHKOQPSYLBQBG-OLKYXYMISA-N 1 1 456.631 3.764 20 0 JHADMO CCOC(=O)c1ccn(-c2ccc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2F)n1 ZINC001311094267 1069271457 /nfs/dbraw/zinc/27/14/57/1069271457.db2.gz RSGKEPUUHBIPBW-UHFFFAOYSA-N 1 1 451.502 3.538 20 0 JHADMO CCOC(=O)c1ccn(-c2ccc(NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)cc2F)n1 ZINC001311094885 1069272074 /nfs/dbraw/zinc/27/20/74/1069272074.db2.gz WRNSTPNBBNVMDJ-UHFFFAOYSA-N 1 1 459.444 3.584 20 0 JHADMO CCOC(=O)[C@@H](CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)Cc1ccccc1 ZINC001311163812 1069287034 /nfs/dbraw/zinc/28/70/34/1069287034.db2.gz QHLHNYJNIHDJPJ-QPPBQGQZSA-N 1 1 450.583 3.515 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CC[N@H+]1CCOC ZINC001306620419 1069306368 /nfs/dbraw/zinc/30/63/68/1069306368.db2.gz GMTYMGSUIDSKMF-LVXARBLLSA-N 1 1 499.059 3.838 20 0 JHADMO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC001311247726 1069308107 /nfs/dbraw/zinc/30/81/07/1069308107.db2.gz SRHMZQIIDKBCME-LJQANCHMSA-N 1 1 458.360 3.539 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001306621269 1069309020 /nfs/dbraw/zinc/30/90/20/1069309020.db2.gz XMQGFANBRBMFRK-HXUWFJFHSA-N 1 1 494.478 3.806 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[NH+](C)C ZINC000009127385 562955514 /nfs/dbraw/zinc/95/55/14/562955514.db2.gz OCBACWWETMARQE-DFBJGRDBSA-N 1 1 493.629 3.868 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[NH+](C)C ZINC000009127384 562955524 /nfs/dbraw/zinc/95/55/24/562955524.db2.gz OCBACWWETMARQE-CLOONOSVSA-N 1 1 493.629 3.868 20 0 JHADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009813552 562956949 /nfs/dbraw/zinc/95/69/49/562956949.db2.gz WAZRPERGPZYANZ-HXUWFJFHSA-N 1 1 466.003 3.675 20 0 JHADMO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001164411227 718876191 /nfs/dbraw/zinc/87/61/91/718876191.db2.gz OGVKPYHRJVTJTO-IRXDYDNUSA-N 1 1 479.940 3.570 20 0 JHADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCn4c(C)[nH+]cc4C3)c2c1C ZINC001164440162 718991884 /nfs/dbraw/zinc/99/18/84/718991884.db2.gz KBEJXSVSQMKTIH-UHFFFAOYSA-N 1 1 454.600 3.687 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164618237 719055943 /nfs/dbraw/zinc/05/59/43/719055943.db2.gz AFNDANMGQHQQGT-WMZOPIPTSA-N 1 1 450.917 3.952 20 0 JHADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164622289 719094427 /nfs/dbraw/zinc/09/44/27/719094427.db2.gz BQHUOOLXWRICGR-LADGPHEKSA-N 1 1 473.602 3.769 20 0 JHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164648669 719311018 /nfs/dbraw/zinc/31/10/18/719311018.db2.gz KHRBMPCGZGQIQI-GOSISDBHSA-N 1 1 458.998 3.581 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(Cl)n1 ZINC001164653638 719314525 /nfs/dbraw/zinc/31/45/25/719314525.db2.gz YOKPWFZJLWUSAU-UHFFFAOYSA-N 1 1 455.937 3.858 20 0 JHADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663133 719356700 /nfs/dbraw/zinc/35/67/00/719356700.db2.gz CJDQJIDLTMLAAK-HXUWFJFHSA-N 1 1 487.382 3.913 20 0 JHADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164668712 719443084 /nfs/dbraw/zinc/44/30/84/719443084.db2.gz KAGVVSWQXQGTSI-ROUUACIJSA-N 1 1 455.653 3.925 20 0 JHADMO c1cn(Cc2noc3c2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CC3)cn1 ZINC001164677168 719565794 /nfs/dbraw/zinc/56/57/94/719565794.db2.gz UXNGCEJLYBAUHF-UHFFFAOYSA-N 1 1 475.622 3.961 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)CC2 ZINC001164685244 719707236 /nfs/dbraw/zinc/70/72/36/719707236.db2.gz TTWWVRACCQJWBC-UHFFFAOYSA-N 1 1 451.521 3.756 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164689904 719742961 /nfs/dbraw/zinc/74/29/61/719742961.db2.gz OGBAINVJPGEJSA-LJQANCHMSA-N 1 1 496.725 3.593 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC2 ZINC001164689376 719752629 /nfs/dbraw/zinc/75/26/29/719752629.db2.gz DDNQZNNYMFGZJB-UHFFFAOYSA-N 1 1 452.361 3.770 20 0 JHADMO O=C1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1Cc1cccnc1 ZINC001164693161 719771724 /nfs/dbraw/zinc/77/17/24/719771724.db2.gz XTWLPDGITXYJGB-LEWJYISDSA-N 1 1 488.661 3.941 20 0 JHADMO O=C1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1Cc1cccnc1 ZINC001164693163 719771889 /nfs/dbraw/zinc/77/18/89/719771889.db2.gz XTWLPDGITXYJGB-RTWAWAEBSA-N 1 1 488.661 3.941 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CSC)nc2sc3c(c21)CCCC3 ZINC001164708556 719868749 /nfs/dbraw/zinc/86/87/49/719868749.db2.gz ZWWUUYUDQOSENT-FYSMJZIKSA-N 1 1 490.695 3.666 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2scc(-c3cccs3)c21 ZINC001164706184 719868796 /nfs/dbraw/zinc/86/87/96/719868796.db2.gz PBJVDMVABOCWAA-HJPURHCSSA-N 1 1 472.636 3.961 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(C)s2)nc2ccccc21 ZINC001164707635 719871123 /nfs/dbraw/zinc/87/11/23/719871123.db2.gz URZDZCAPFXMPKW-AVRWGWEMSA-N 1 1 466.607 3.899 20 0 JHADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694548 719886547 /nfs/dbraw/zinc/88/65/47/719886547.db2.gz ABZDULWZDXNYTA-UHFFFAOYSA-N 1 1 486.972 3.785 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695745 719886674 /nfs/dbraw/zinc/88/66/74/719886674.db2.gz UMKXIHMBMKYOKQ-UHFFFAOYSA-N 1 1 486.972 3.785 20 0 JHADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705899 719899210 /nfs/dbraw/zinc/89/92/10/719899210.db2.gz FMYRABPEHSXZJU-FQEVSTJZSA-N 1 1 476.952 3.868 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)n1 ZINC001164805952 720050501 /nfs/dbraw/zinc/05/05/01/720050501.db2.gz PZJIWWLESQCWBG-CPJSRVTESA-N 1 1 484.670 3.801 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3nnc(Cn4cccc4)n3CC2)n1 ZINC001164710333 720090852 /nfs/dbraw/zinc/09/08/52/720090852.db2.gz ITYKDLNYKPRGPZ-UHFFFAOYSA-N 1 1 484.633 3.924 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164712989 720101400 /nfs/dbraw/zinc/10/14/00/720101400.db2.gz ZQAFMQNXRMEAOQ-AREMUKBSSA-N 1 1 498.675 3.937 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164716924 720124462 /nfs/dbraw/zinc/12/44/62/720124462.db2.gz LMXHRDGOIDOERL-HSZRJFAPSA-N 1 1 473.625 3.507 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164712242 720130059 /nfs/dbraw/zinc/13/00/59/720130059.db2.gz LRCIMNLZDRALKJ-IBGZPJMESA-N 1 1 470.021 3.963 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164711234 720132490 /nfs/dbraw/zinc/13/24/90/720132490.db2.gz GGQHVVPJQJNNNX-XMMPIXPASA-N 1 1 459.594 3.958 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164713929 720138752 /nfs/dbraw/zinc/13/87/52/720138752.db2.gz UELVXCHECNEDDW-OAQYLSRUSA-N 1 1 476.581 3.533 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164713061 720143530 /nfs/dbraw/zinc/14/35/30/720143530.db2.gz PTWPMAIOVHKSLE-GOSISDBHSA-N 1 1 451.949 3.886 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164710866 720151640 /nfs/dbraw/zinc/15/16/40/720151640.db2.gz FFDUJIWXMDAEIW-HSZRJFAPSA-N 1 1 469.593 3.718 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c(Cl)n1 ZINC001164820233 720157310 /nfs/dbraw/zinc/15/73/10/720157310.db2.gz ZUFQENFISKXXRD-HRAATJIYSA-N 1 1 457.949 3.641 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164813337 720207201 /nfs/dbraw/zinc/20/72/01/720207201.db2.gz OOTOPNVQSUHSBI-AUUYWEPGSA-N 1 1 457.978 3.555 20 0 JHADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721813 720406614 /nfs/dbraw/zinc/40/66/14/720406614.db2.gz BGVYIZAXSIVAOH-PKTZIBPZSA-N 1 1 463.607 3.586 20 0 JHADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164824902 720422522 /nfs/dbraw/zinc/42/25/22/720422522.db2.gz MEFIEDAXYVVNED-SFHLNBCPSA-N 1 1 497.709 3.779 20 0 JHADMO O=S(=O)(c1ccccc1)n1c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734720 720423745 /nfs/dbraw/zinc/42/37/45/720423745.db2.gz TUWPSGUYPAOKCR-LEWJYISDSA-N 1 1 495.008 3.570 20 0 JHADMO O=C(C[C@@H]1OC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164835097 720498997 /nfs/dbraw/zinc/49/89/97/720498997.db2.gz WUMJOGKUPRQDEE-SLQPCKNISA-N 1 1 474.649 3.884 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)NCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834410 720514985 /nfs/dbraw/zinc/51/49/85/720514985.db2.gz FZHVAHFCPYWDQC-SONWIMMPSA-N 1 1 458.610 3.586 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cnc1Cl ZINC001164837837 720527854 /nfs/dbraw/zinc/52/78/54/720527854.db2.gz POJVHIBDURZXDC-SZVBFZGTSA-N 1 1 467.948 3.641 20 0 JHADMO 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 720577912 /nfs/dbraw/zinc/57/79/12/720577912.db2.gz FQOCLELYDUNPOV-SXWKCWPCSA-N 1 1 498.672 3.932 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@@H]21 ZINC001164838759 720611253 /nfs/dbraw/zinc/61/12/53/720611253.db2.gz LPRSMDMPUXOHDQ-FUDKSRODSA-N 1 1 471.049 3.935 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838340 720617872 /nfs/dbraw/zinc/61/78/72/720617872.db2.gz KTMUPTUWYFXEON-WOYCLPQFSA-N 1 1 472.943 3.510 20 0 JHADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164839227 720632002 /nfs/dbraw/zinc/63/20/02/720632002.db2.gz MOESBVSYGLGVRB-RJGXRXQPSA-N 1 1 459.598 3.612 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164841030 720701518 /nfs/dbraw/zinc/70/15/18/720701518.db2.gz HCPKFMLJFNAMSC-XMMPIXPASA-N 1 1 493.652 3.516 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836458 720714724 /nfs/dbraw/zinc/71/47/24/720714724.db2.gz AWXCYZXEGAMMPY-QHCPKHFHSA-N 1 1 486.682 3.666 20 0 JHADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164744153 720759463 /nfs/dbraw/zinc/75/94/63/720759463.db2.gz RHKNOKRMGIFGNA-ROUUACIJSA-N 1 1 460.488 3.707 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164740909 720805586 /nfs/dbraw/zinc/80/55/86/720805586.db2.gz AXGDQYHJVZDZLT-QZTJIDSGSA-N 1 1 472.927 3.782 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164740909 720805588 /nfs/dbraw/zinc/80/55/88/720805588.db2.gz AXGDQYHJVZDZLT-QZTJIDSGSA-N 1 1 472.927 3.782 20 0 JHADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164741741 720806134 /nfs/dbraw/zinc/80/61/34/720806134.db2.gz BTXWYTGQFSKPRR-GJZGRUSLSA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164741741 720806140 /nfs/dbraw/zinc/80/61/40/720806140.db2.gz BTXWYTGQFSKPRR-GJZGRUSLSA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164742707 720806596 /nfs/dbraw/zinc/80/65/96/720806596.db2.gz DCDMYYWQAXTVRS-DLBZAZTESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164742707 720806600 /nfs/dbraw/zinc/80/66/00/720806600.db2.gz DCDMYYWQAXTVRS-DLBZAZTESA-N 1 1 476.890 3.613 20 0 JHADMO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164743410 720809527 /nfs/dbraw/zinc/80/95/27/720809527.db2.gz FXDKYVZAGXYQDR-WSTZPKSXSA-N 1 1 452.990 3.868 20 0 JHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740228 720816329 /nfs/dbraw/zinc/81/63/29/720816329.db2.gz JQBZIMIDRVKGIT-HGHGUNKESA-N 1 1 473.959 3.799 20 0 JHADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746202 720818399 /nfs/dbraw/zinc/81/83/99/720818399.db2.gz YHDOYRRJFGPTMF-BFYDXBDKSA-N 1 1 479.988 3.861 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001164739160 720819329 /nfs/dbraw/zinc/81/93/29/720819329.db2.gz HIQLFCBPBDUBQU-LZLYRXPVSA-N 1 1 479.412 3.536 20 0 JHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751860 720832981 /nfs/dbraw/zinc/83/29/81/720832981.db2.gz ZKPMNSQUOZBKRQ-GZGNHOFSSA-N 1 1 486.599 3.590 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742529 720834329 /nfs/dbraw/zinc/83/43/29/720834329.db2.gz HGEZKHOBRSNOHF-YESZJQIVSA-N 1 1 469.005 3.973 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@H]2C1 ZINC001164849713 720842056 /nfs/dbraw/zinc/84/20/56/720842056.db2.gz COZIQXGHPWCEIO-GUYCJALGSA-N 1 1 461.340 3.655 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]2C1 ZINC001164851864 720845966 /nfs/dbraw/zinc/84/59/66/720845966.db2.gz IHNKWMRRZHXPLB-XLIONFOSSA-N 1 1 452.933 3.515 20 0 JHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743933 720852034 /nfs/dbraw/zinc/85/20/34/720852034.db2.gz BBUHHJONNJDWJR-NNUZDRNGSA-N 1 1 498.006 3.895 20 0 JHADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164747631 720853949 /nfs/dbraw/zinc/85/39/49/720853949.db2.gz IMDJQUCAOPKXAN-YFNKSVMNSA-N 1 1 458.614 3.606 20 0 JHADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754925 720867334 /nfs/dbraw/zinc/86/73/34/720867334.db2.gz UTCVZHABCBYAGV-SIKLNZKXSA-N 1 1 463.960 3.825 20 0 JHADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754923 720867681 /nfs/dbraw/zinc/86/76/81/720867681.db2.gz UTCVZHABCBYAGV-KNQAVFIVSA-N 1 1 463.960 3.825 20 0 JHADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755458 720867749 /nfs/dbraw/zinc/86/77/49/720867749.db2.gz XHWLJCIZDWKFAD-ZEQKJWHPSA-N 1 1 450.631 3.755 20 0 JHADMO 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CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C ZINC001164753843 720893162 /nfs/dbraw/zinc/89/31/62/720893162.db2.gz HIVJLVLFQANEEV-HOFKKMOUSA-N 1 1 464.610 3.717 20 0 JHADMO COC(=O)c1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753957 720893890 /nfs/dbraw/zinc/89/38/90/720893890.db2.gz HXXWMIVVTUTBNA-FIPFOOKPSA-N 1 1 487.604 3.567 20 0 JHADMO Clc1cnc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755715 720895141 /nfs/dbraw/zinc/89/51/41/720895141.db2.gz NDCVIQPIAQGMMO-CJFMBICVSA-N 1 1 465.001 3.828 20 0 JHADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1)c1ccccc1 ZINC001164861873 720899589 /nfs/dbraw/zinc/89/95/89/720899589.db2.gz ZCSLPHMADVZSMD-BWKNWUBXSA-N 1 1 455.002 3.889 20 0 JHADMO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH]c2n1 ZINC001164757507 720902624 /nfs/dbraw/zinc/90/26/24/720902624.db2.gz VKLDXJGLJMFRPO-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCCCC4)ncn2)C3)c1 ZINC001164755077 720909125 /nfs/dbraw/zinc/90/91/25/720909125.db2.gz YDLAWCOEBQTUEP-IGKIAQTJSA-N 1 1 462.642 3.617 20 0 JHADMO Cc1noc(-c2cccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753162 720911705 /nfs/dbraw/zinc/91/17/05/720911705.db2.gz QQFGGLRFGRSHEK-NVQXNPDNSA-N 1 1 460.582 3.590 20 0 JHADMO CC1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164755127 720912106 /nfs/dbraw/zinc/91/21/06/720912106.db2.gz YNQMEBZMJNPZKU-LEAFIULHSA-N 1 1 476.669 3.863 20 0 JHADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751316 720913581 /nfs/dbraw/zinc/91/35/81/720913581.db2.gz LHYHRPJVVRNYIX-REWPJTCUSA-N 1 1 493.986 3.747 20 0 JHADMO Fc1cccc(-c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754670 720918517 /nfs/dbraw/zinc/91/85/17/720918517.db2.gz WWDIQEHRNLUJFH-YIXXDRMTSA-N 1 1 474.584 3.828 20 0 JHADMO c1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)nc1 ZINC001164747027 720922026 /nfs/dbraw/zinc/92/20/26/720922026.db2.gz BUOYKGDRWPBBIT-HOFKKMOUSA-N 1 1 456.594 3.689 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c21 ZINC001164856828 720922628 /nfs/dbraw/zinc/92/26/28/720922628.db2.gz KXEXOANYVQPCJU-QGZVFWFLSA-N 1 1 461.570 3.677 20 0 JHADMO c1nc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1-c1ccccc1 ZINC001164752040 720926947 /nfs/dbraw/zinc/92/69/47/720926947.db2.gz MSCHBYHYPJFOFK-OUTSHDOLSA-N 1 1 495.631 3.966 20 0 JHADMO c1cc2c(nc(C3CC3)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164748093 720932142 /nfs/dbraw/zinc/93/21/42/720932142.db2.gz FVBYDAJSMVPNAJ-AJTFRIOCSA-N 1 1 458.610 3.985 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)[C@H]2C ZINC001164858644 720963181 /nfs/dbraw/zinc/96/31/81/720963181.db2.gz JSRNYSIJYVDASC-KRWDZBQOSA-N 1 1 453.591 3.596 20 0 JHADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856234 721003430 /nfs/dbraw/zinc/00/34/30/721003430.db2.gz ADBMHQQRLYYJLB-GOSISDBHSA-N 1 1 483.686 3.758 20 0 JHADMO c1cncc(CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@@H]3COC[C@@H]23)c1 ZINC001164758716 721008688 /nfs/dbraw/zinc/00/86/88/721008688.db2.gz JMLFJQQQBAYGST-YPAWHYETSA-N 1 1 491.661 3.981 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)[C@H]2C ZINC001164861234 721015397 /nfs/dbraw/zinc/01/53/97/721015397.db2.gz NVZMVSNTZNCWST-ZDUSSCGKSA-N 1 1 451.909 3.948 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)C2)cc1 ZINC001164766493 721028166 /nfs/dbraw/zinc/02/81/66/721028166.db2.gz QVEGWBWKGCUPHJ-RBJSKKJNSA-N 1 1 471.605 3.775 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)C2)cc1 ZINC001164766493 721028173 /nfs/dbraw/zinc/02/81/73/721028173.db2.gz QVEGWBWKGCUPHJ-RBJSKKJNSA-N 1 1 471.605 3.775 20 0 JHADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861132 721033551 /nfs/dbraw/zinc/03/35/51/721033551.db2.gz CQNOSTXRQNXLCX-UHFFFAOYSA-N 1 1 455.900 3.846 20 0 JHADMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164766960 721051862 /nfs/dbraw/zinc/05/18/62/721051862.db2.gz GIFZHECPQVHDHX-UIOOFZCWSA-N 1 1 453.590 3.723 20 0 JHADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877674 721150061 /nfs/dbraw/zinc/15/00/61/721150061.db2.gz PPWDAUSSQGLISE-DLBZAZTESA-N 1 1 461.900 3.810 20 0 JHADMO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164876417 721166677 /nfs/dbraw/zinc/16/66/77/721166677.db2.gz MGBZKVFTQBOHQF-PMACEKPBSA-N 1 1 499.644 3.902 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164881218 721183249 /nfs/dbraw/zinc/18/32/49/721183249.db2.gz ZZLJQZWIPGGOSK-YADHBBJMSA-N 1 1 451.958 3.584 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164867028 721186434 /nfs/dbraw/zinc/18/64/34/721186434.db2.gz DNJVKQYOILUSJQ-GHTZIAJQSA-N 1 1 467.957 3.806 20 0 JHADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164768733 721201412 /nfs/dbraw/zinc/20/14/12/721201412.db2.gz LQFPCHHNGXQUBH-RTWAWAEBSA-N 1 1 467.687 3.842 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3C2)cn1 ZINC001164774492 721218345 /nfs/dbraw/zinc/21/83/45/721218345.db2.gz ZTVBURXFZSVZCW-SELNLUPBSA-N 1 1 456.953 3.616 20 0 JHADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)CC2 ZINC001164879938 721324950 /nfs/dbraw/zinc/32/49/50/721324950.db2.gz UNVRZKJBDLIISX-UHFFFAOYSA-N 1 1 479.915 3.666 20 0 JHADMO COc1ccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=[NH+]O4)CC3)c(Cl)nn2)cc1 ZINC001164874150 721327695 /nfs/dbraw/zinc/32/76/95/721327695.db2.gz GWXBDDCRDIYJMU-UHFFFAOYSA-N 1 1 451.905 3.985 20 0 JHADMO COC(=O)c1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164777417 721347292 /nfs/dbraw/zinc/34/72/92/721347292.db2.gz GUVGXVFKMRIRSY-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)c2c1C ZINC001164888466 721351226 /nfs/dbraw/zinc/35/12/26/721351226.db2.gz XBIDWCVNBSFMDZ-VXKWHMMOSA-N 1 1 491.661 3.881 20 0 JHADMO COc1cc2cc[nH+]c(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780020 721352222 /nfs/dbraw/zinc/35/22/22/721352222.db2.gz YMBMZLOUDKMYHL-AREMUKBSSA-N 1 1 466.582 3.976 20 0 JHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779766 721354732 /nfs/dbraw/zinc/35/47/32/721354732.db2.gz VXSSAAGHSPTXRU-QFIPXVFZSA-N 1 1 498.411 3.684 20 0 JHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779766 721354733 /nfs/dbraw/zinc/35/47/33/721354733.db2.gz VXSSAAGHSPTXRU-QFIPXVFZSA-N 1 1 498.411 3.684 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164782970 721355089 /nfs/dbraw/zinc/35/50/89/721355089.db2.gz OJWCQVUJQACMDG-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164782970 721355095 /nfs/dbraw/zinc/35/50/95/721355095.db2.gz OJWCQVUJQACMDG-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO COC(=O)c1cc2c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]c(Cl)cc-2n1 ZINC001164782252 721360606 /nfs/dbraw/zinc/36/06/06/721360606.db2.gz LPZQIIMBENTYEN-XMMPIXPASA-N 1 1 487.988 3.727 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)C1 ZINC001164786127 721371218 /nfs/dbraw/zinc/37/12/18/721371218.db2.gz WKDDDWZFATYLBJ-MHZLTWQESA-N 1 1 474.609 3.751 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 ZINC001164886274 721372712 /nfs/dbraw/zinc/37/27/12/721372712.db2.gz MEKCCNTUNSCJKS-XMMPIXPASA-N 1 1 467.643 3.517 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)O2)CC1 ZINC001164892942 721385547 /nfs/dbraw/zinc/38/55/47/721385547.db2.gz UYHGFXTVLBXOEP-JTSKRJEESA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781912 721386847 /nfs/dbraw/zinc/38/68/47/721386847.db2.gz KXDRKZHUHVCGFE-BKMJKUGQSA-N 1 1 452.599 3.542 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)O2)CC1 ZINC001164894646 721394457 /nfs/dbraw/zinc/39/44/57/721394457.db2.gz ZQQHZOCSPFXXLW-FOIQADDNSA-N 1 1 472.005 3.655 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885198 721410233 /nfs/dbraw/zinc/41/02/33/721410233.db2.gz GEKWBRHZCLCWPO-VGOFRKELSA-N 1 1 450.414 3.702 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164885248 721418053 /nfs/dbraw/zinc/41/80/53/721418053.db2.gz GJDFBTACKMIBQD-OXJNMPFZSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896867 721443906 /nfs/dbraw/zinc/44/39/06/721443906.db2.gz SGUNXTXSNGZUGK-WNJJXGMVSA-N 1 1 490.696 3.899 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884439 721448408 /nfs/dbraw/zinc/44/84/08/721448408.db2.gz BFKNEEUTQXMPNZ-MHECFPHRSA-N 1 1 475.996 3.827 20 0 JHADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164893301 721448629 /nfs/dbraw/zinc/44/86/29/721448629.db2.gz ZAHHRTANJQFDGQ-PXDATVDWSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890313 721451949 /nfs/dbraw/zinc/45/19/49/721451949.db2.gz QSFTYQZOPXVWDA-CTNGQTDRSA-N 1 1 454.993 3.620 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164791748 721469371 /nfs/dbraw/zinc/46/93/71/721469371.db2.gz YJUGAHJFZLRZSJ-XMMPIXPASA-N 1 1 450.627 3.801 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164788220 721469958 /nfs/dbraw/zinc/46/99/58/721469958.db2.gz IPYHMHKFAFIXAC-XMMPIXPASA-N 1 1 493.652 3.771 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164893205 721484305 /nfs/dbraw/zinc/48/43/05/721484305.db2.gz BNYCGKVKXPGYGW-HRFSGMKKSA-N 1 1 491.661 3.789 20 0 JHADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164905185 721526297 /nfs/dbraw/zinc/52/62/97/721526297.db2.gz GIJPHSQHMPHFJT-NVXWUHKLSA-N 1 1 458.921 3.781 20 0 JHADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909320 721528279 /nfs/dbraw/zinc/52/82/79/721528279.db2.gz RITXNXBZVPSTNQ-WMZOPIPTSA-N 1 1 496.917 3.723 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911090 721539621 /nfs/dbraw/zinc/53/96/21/721539621.db2.gz VLWXIURKKNJKOS-WBVHZDCISA-N 1 1 455.864 3.548 20 0 JHADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908228 721555726 /nfs/dbraw/zinc/55/57/26/721555726.db2.gz QANWEMPSGQOMHB-CTNGQTDRSA-N 1 1 458.965 3.888 20 0 JHADMO CCOC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804008 721563782 /nfs/dbraw/zinc/56/37/82/721563782.db2.gz KQYNCGPATSBCGS-AOHZBQACSA-N 1 1 463.582 3.620 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164810673 721569414 /nfs/dbraw/zinc/56/94/14/721569414.db2.gz ZTVVJBSVMGUDFB-NJYVYQBISA-N 1 1 475.927 3.971 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164810673 721569419 /nfs/dbraw/zinc/56/94/19/721569419.db2.gz ZTVVJBSVMGUDFB-NJYVYQBISA-N 1 1 475.927 3.971 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)c2c1C ZINC001164905175 721580466 /nfs/dbraw/zinc/58/04/66/721580466.db2.gz UEVVLBVAKNNZDV-VWLOTQADSA-N 1 1 479.654 3.570 20 0 JHADMO FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905410 721691613 /nfs/dbraw/zinc/69/16/13/721691613.db2.gz JBUCAEXTLSAXHZ-QHCPKHFHSA-N 1 1 453.493 3.534 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906189 721722075 /nfs/dbraw/zinc/72/20/75/721722075.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906189 721722078 /nfs/dbraw/zinc/72/20/78/721722078.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164913795 721734519 /nfs/dbraw/zinc/73/45/19/721734519.db2.gz XTXSNWQMRLFTED-OAQYLSRUSA-N 1 1 450.917 3.963 20 0 JHADMO COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913863 721736683 /nfs/dbraw/zinc/73/66/83/721736683.db2.gz ZADNFZIZKMXBTE-QHCPKHFHSA-N 1 1 455.509 3.780 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164910738 721766571 /nfs/dbraw/zinc/76/65/71/721766571.db2.gz KNOIHYLNVBWMHR-UHFFFAOYSA-N 1 1 489.407 3.803 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164910738 721766573 /nfs/dbraw/zinc/76/65/73/721766573.db2.gz KNOIHYLNVBWMHR-UHFFFAOYSA-N 1 1 489.407 3.803 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)c2c1C ZINC001165026590 721791926 /nfs/dbraw/zinc/79/19/26/721791926.db2.gz ZWCFVNWXLRTAJN-AZUAARDMSA-N 1 1 462.623 3.788 20 0 JHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019593 721804463 /nfs/dbraw/zinc/80/44/63/721804463.db2.gz DGINAXDWFOQWFK-JQHSSLGASA-N 1 1 450.965 3.873 20 0 JHADMO CC(=O)Oc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC(C)=O ZINC001165020812 721819309 /nfs/dbraw/zinc/81/93/09/721819309.db2.gz DHNGYYDURVLYHR-KWOQKUFVSA-N 1 1 489.576 3.612 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001165026715 721822029 /nfs/dbraw/zinc/82/20/29/721822029.db2.gz PTMVXSDSAQDISI-IPELMVKDSA-N 1 1 468.989 3.540 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165020621 721825045 /nfs/dbraw/zinc/82/50/45/721825045.db2.gz CWCNFZNCEBMQHQ-TUACAJSNSA-N 1 1 471.671 3.538 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c2c1C ZINC001164928117 721840264 /nfs/dbraw/zinc/84/02/64/721840264.db2.gz WGJHMNSBAWKJRJ-FNZWTVRRSA-N 1 1 479.650 3.969 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc3[nH]cnc3c(Cl)n2)CC1 ZINC001165020238 721843987 /nfs/dbraw/zinc/84/39/87/721843987.db2.gz AOFGFPKYENCUCO-UHFFFAOYSA-N 1 1 466.920 3.621 20 0 JHADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001165034251 721875476 /nfs/dbraw/zinc/87/54/76/721875476.db2.gz IFTYAUDGSQUGHR-FQEVSTJZSA-N 1 1 493.633 3.602 20 0 JHADMO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164936049 721910702 /nfs/dbraw/zinc/91/07/02/721910702.db2.gz UFBNJIWBBKSJHL-OFNKIYASSA-N 1 1 457.553 3.525 20 0 JHADMO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164936049 721910705 /nfs/dbraw/zinc/91/07/05/721910705.db2.gz UFBNJIWBBKSJHL-OFNKIYASSA-N 1 1 457.553 3.525 20 0 JHADMO F[C@]1(N2CC[NH+](C[C@H]3CCCO3)CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165039621 721912775 /nfs/dbraw/zinc/91/27/75/721912775.db2.gz UHIRTGUQDKAUCT-JPYJTQIMSA-N 1 1 480.415 3.718 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940339 721922362 /nfs/dbraw/zinc/92/23/62/721922362.db2.gz ZHGMDVFMKJQWNO-UHFFFAOYSA-N 1 1 460.578 3.986 20 0 JHADMO Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164938951 721923756 /nfs/dbraw/zinc/92/37/56/721923756.db2.gz CTZNXYFOXAIKCC-UHFFFAOYSA-N 1 1 456.034 3.777 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955807 722010145 /nfs/dbraw/zinc/01/01/45/722010145.db2.gz ZNKZZQBMKUKMME-KBMIEXCESA-N 1 1 486.686 3.693 20 0 JHADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164953804 722010964 /nfs/dbraw/zinc/01/09/64/722010964.db2.gz GRENKVOLLMQMLZ-NIYFSFCBSA-N 1 1 494.665 3.819 20 0 JHADMO Fc1ccccc1N1CCN(c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncn2)CC1 ZINC001164955229 722023034 /nfs/dbraw/zinc/02/30/34/722023034.db2.gz AVYPKIOXICRLFC-UHFFFAOYSA-N 1 1 487.627 3.830 20 0 JHADMO O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164956102 722033282 /nfs/dbraw/zinc/03/32/82/722033282.db2.gz BWKWFNRHOIAAGD-UFHPHHKVSA-N 1 1 453.590 3.568 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c2c1C ZINC001164955982 722034679 /nfs/dbraw/zinc/03/46/79/722034679.db2.gz ALJMWMYRFKTFNF-FQRUVTKNSA-N 1 1 476.650 3.832 20 0 JHADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164962282 722041984 /nfs/dbraw/zinc/04/19/84/722041984.db2.gz OJCWUQVKTQVRCO-JENIJYKNSA-N 1 1 480.638 3.694 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@@H]3O2)n1 ZINC001164957712 722042000 /nfs/dbraw/zinc/04/20/00/722042000.db2.gz BOXDWFADWBEQDK-QYZOEREBSA-N 1 1 468.627 3.822 20 0 JHADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164963945 722042073 /nfs/dbraw/zinc/04/20/73/722042073.db2.gz SRORUPIVUSSHFT-JENIJYKNSA-N 1 1 480.638 3.694 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CC[C@@H](C)C6)C[C@@H]3O2)n1 ZINC001164965364 722042139 /nfs/dbraw/zinc/04/21/39/722042139.db2.gz XKHYRXBMRUOHSZ-LBKNJMOBSA-N 1 1 494.665 3.940 20 0 JHADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3O2)n1 ZINC001164957237 722042886 /nfs/dbraw/zinc/04/28/86/722042886.db2.gz ALENEDIGJZIJEH-BJLQDIEVSA-N 1 1 476.606 3.948 20 0 JHADMO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960467 722052178 /nfs/dbraw/zinc/05/21/78/722052178.db2.gz OOJUNJSDQFEIOD-UHFFFAOYSA-N 1 1 458.340 3.842 20 0 JHADMO COCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2ccccc2)n1 ZINC001164961920 722052840 /nfs/dbraw/zinc/05/28/40/722052840.db2.gz YRZDZRKDBMUEFR-UHFFFAOYSA-N 1 1 459.594 3.804 20 0 JHADMO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960466 722053120 /nfs/dbraw/zinc/05/31/20/722053120.db2.gz OMWKCKJMRUMEPS-UHFFFAOYSA-N 1 1 471.605 3.526 20 0 JHADMO COc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164964292 722056988 /nfs/dbraw/zinc/05/69/88/722056988.db2.gz ULMRXSFHFRTDOH-UHFFFAOYSA-N 1 1 453.974 3.806 20 0 JHADMO COc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164961598 722058203 /nfs/dbraw/zinc/05/82/03/722058203.db2.gz MOUBBMVDHYADHX-UHFFFAOYSA-N 1 1 461.566 3.792 20 0 JHADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963346 722058853 /nfs/dbraw/zinc/05/88/53/722058853.db2.gz XDNOHNJZXAJARF-UHFFFAOYSA-N 1 1 474.943 3.737 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960011 722059157 /nfs/dbraw/zinc/05/91/57/722059157.db2.gz CPFTWMDAZZORJP-UHFFFAOYSA-N 1 1 480.943 3.581 20 0 JHADMO Cc1cncc(COCc2cnc3n2CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)[C@@H]3C)c1 ZINC001164964437 722063319 /nfs/dbraw/zinc/06/33/19/722063319.db2.gz GSHKGAJYUPEIKV-HXUWFJFHSA-N 1 1 462.598 3.753 20 0 JHADMO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C2)O4)n1)CCCC3)N1CCCCC1 ZINC001164966869 722075179 /nfs/dbraw/zinc/07/51/79/722075179.db2.gz GUGMWTNABDHDTR-BGYRXZFFSA-N 1 1 467.683 3.855 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968946 722081247 /nfs/dbraw/zinc/08/12/47/722081247.db2.gz GNWQNXPTBHTJHT-CXSMSNRLSA-N 1 1 450.631 3.731 20 0 JHADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CCO2 ZINC001164968873 722083832 /nfs/dbraw/zinc/08/38/32/722083832.db2.gz IPJSYLMXDQITSJ-HFJWLAOPSA-N 1 1 483.682 3.630 20 0 JHADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980770 722102426 /nfs/dbraw/zinc/10/24/26/722102426.db2.gz KJAGZRHGDCPZGY-PXNSSMCTSA-N 1 1 459.928 3.950 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109161 /nfs/dbraw/zinc/10/91/61/722109161.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 1 1 469.633 3.762 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109163 /nfs/dbraw/zinc/10/91/63/722109163.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 1 1 469.633 3.762 20 0 JHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982312 722130118 /nfs/dbraw/zinc/13/01/18/722130118.db2.gz RPINIGIGNGJZOT-XLIONFOSSA-N 1 1 470.936 3.579 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980342 722136207 /nfs/dbraw/zinc/13/62/07/722136207.db2.gz MZBPAKGOWKNOLR-LOSJGSFVSA-N 1 1 467.573 3.847 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981493 722137628 /nfs/dbraw/zinc/13/76/28/722137628.db2.gz OZSNRPSZGHSSSJ-KNQAVFIVSA-N 1 1 481.984 3.582 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)o2)cc1 ZINC001164976107 722143394 /nfs/dbraw/zinc/14/33/94/722143394.db2.gz HEZGLJMIXWHNKB-YADHBBJMSA-N 1 1 456.550 3.716 20 0 JHADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979640 722145614 /nfs/dbraw/zinc/14/56/14/722145614.db2.gz LPYNEKUNYWVIER-LOSJGSFVSA-N 1 1 458.562 3.561 20 0 JHADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974038 722151844 /nfs/dbraw/zinc/15/18/44/722151844.db2.gz OFBIINIEXPORLD-LEWJYISDSA-N 1 1 450.974 3.623 20 0 JHADMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164988706 722187117 /nfs/dbraw/zinc/18/71/17/722187117.db2.gz FKBJTYAJNWDNLG-ZJSXRUAMSA-N 1 1 475.058 3.513 20 0 JHADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)C3)c1 ZINC001164993620 722194803 /nfs/dbraw/zinc/19/48/03/722194803.db2.gz FRQAVZJSRURKJX-QFIPXVFZSA-N 1 1 481.950 3.896 20 0 JHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)C3)c1 ZINC001164993620 722194806 /nfs/dbraw/zinc/19/48/06/722194806.db2.gz FRQAVZJSRURKJX-QFIPXVFZSA-N 1 1 481.950 3.896 20 0 JHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4ccsc4c(N4CCOCC4)n2)C3)c1 ZINC001164993695 722194930 /nfs/dbraw/zinc/19/49/30/722194930.db2.gz HVHQKTKWEHOFHO-DEOSSOPVSA-N 1 1 453.587 3.912 20 0 JHADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CCC2 ZINC001164999704 722228358 /nfs/dbraw/zinc/22/83/58/722228358.db2.gz OMEUSMJZCOOPRC-UHFFFAOYSA-N 1 1 467.643 3.537 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4ccc(Cl)nc4c2)CC3)CC1 ZINC001164997142 722232183 /nfs/dbraw/zinc/23/21/83/722232183.db2.gz LVLLMSOIDHJLII-UHFFFAOYSA-N 1 1 458.944 3.580 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccc(F)cc4)nc4ccccc42)CC3)CC1 ZINC001165001558 722237349 /nfs/dbraw/zinc/23/73/49/722237349.db2.gz IWGBGQJJFXUNQN-UHFFFAOYSA-N 1 1 469.568 3.583 20 0 JHADMO 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 1069313655 /nfs/dbraw/zinc/31/36/55/1069313655.db2.gz APXLOTHTIZFYSZ-KCZVDYSFSA-N 1 1 490.693 3.881 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2c(F)cccc2F)CC[N@H+]1CCOC ZINC001306623823 1069316090 /nfs/dbraw/zinc/31/60/90/1069316090.db2.gz GFZICWOQUXRVBE-CVDCTZTESA-N 1 1 477.600 3.978 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001306624190 1069317120 /nfs/dbraw/zinc/31/71/20/1069317120.db2.gz MLJVJBJGMUGAJO-AJTFRIOCSA-N 1 1 496.656 3.703 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@H+]1CCOC ZINC001306624879 1069318913 /nfs/dbraw/zinc/31/89/13/1069318913.db2.gz MTVPQHISRMMBFO-UNMCSNQZSA-N 1 1 462.038 3.811 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306626479 1069322269 /nfs/dbraw/zinc/32/22/69/1069322269.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 1 1 476.710 3.577 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306626479 1069322285 /nfs/dbraw/zinc/32/22/85/1069322285.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 1 1 476.710 3.577 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CC[N@H+]1CCOC ZINC001306627584 1069324577 /nfs/dbraw/zinc/32/45/77/1069324577.db2.gz FTNZKPSKSKAMQL-IBGZPJMESA-N 1 1 468.568 3.790 20 0 JHADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1nn(CC(F)F)c2ccccc21 ZINC001311337232 1069329017 /nfs/dbraw/zinc/32/90/17/1069329017.db2.gz TUFKWCBCDMGTSC-UHFFFAOYSA-N 1 1 456.541 3.631 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306636284 1069344662 /nfs/dbraw/zinc/34/46/62/1069344662.db2.gz QGXOMEGJEIUVBY-FCHUYYIVSA-N 1 1 488.721 3.958 20 0 JHADMO Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001311361308 1069344616 /nfs/dbraw/zinc/34/46/16/1069344616.db2.gz HJESBKWXTLGTSB-JXFKEZNVSA-N 1 1 451.974 3.525 20 0 JHADMO COc1ccccc1SC[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001311376985 1069350732 /nfs/dbraw/zinc/35/07/32/1069350732.db2.gz NELUJDFIAYGLPQ-SFTDATJTSA-N 1 1 456.656 3.933 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ncccc2C)CC[N@H+]1CCOC ZINC001306638543 1069348367 /nfs/dbraw/zinc/34/83/67/1069348367.db2.gz AHRYJIWGBZLBHC-FQEVSTJZSA-N 1 1 452.578 3.773 20 0 JHADMO CNC(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)C1 ZINC001311375431 1069349738 /nfs/dbraw/zinc/34/97/38/1069349738.db2.gz QAWVHLXSTKAAQN-VXKWHMMOSA-N 1 1 454.640 3.748 20 0 JHADMO CNC(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)C1 ZINC001311375431 1069349745 /nfs/dbraw/zinc/34/97/45/1069349745.db2.gz QAWVHLXSTKAAQN-VXKWHMMOSA-N 1 1 454.640 3.748 20 0 JHADMO CCCCCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC001306643936 1069355120 /nfs/dbraw/zinc/35/51/20/1069355120.db2.gz VYJFNVXOFSCPAH-SANMLTNESA-N 1 1 492.709 3.864 20 0 JHADMO CCOCCN(C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCc2ccccc21 ZINC001311378103 1069351502 /nfs/dbraw/zinc/35/15/02/1069351502.db2.gz HBYGXCRVOPQHCR-RUZDIDTESA-N 1 1 454.590 3.683 20 0 JHADMO CC[C@@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2ccccc2C1 ZINC001311396887 1069361127 /nfs/dbraw/zinc/36/11/27/1069361127.db2.gz PWKITXBJAITDBK-QFIPXVFZSA-N 1 1 456.631 3.866 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311400543 1069362198 /nfs/dbraw/zinc/36/21/98/1069362198.db2.gz RXTWXTVWCITBKW-REHUZNOOSA-N 1 1 453.631 3.752 20 0 JHADMO C[N@@H+](CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CCCCC1 ZINC001311402320 1069362225 /nfs/dbraw/zinc/36/22/25/1069362225.db2.gz WDWGKVVYLGXAJB-HXUWFJFHSA-N 1 1 452.546 3.737 20 0 JHADMO 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 1069362837 /nfs/dbraw/zinc/36/28/37/1069362837.db2.gz UHHOYRHTYNAIRU-NCOADZHNSA-N 1 1 450.546 3.594 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC001311405488 1069364770 /nfs/dbraw/zinc/36/47/70/1069364770.db2.gz WICIJDLZRLNQIS-XPWALMASSA-N 1 1 456.631 3.770 20 0 JHADMO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001311397637 1069361102 /nfs/dbraw/zinc/36/11/02/1069361102.db2.gz VLTCMGSFBUZTSI-VRUMLPLGSA-N 1 1 456.631 3.912 20 0 JHADMO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC001311440195 1069381071 /nfs/dbraw/zinc/38/10/71/1069381071.db2.gz CGQWZTKFBZXVNB-CLJLJLNGSA-N 1 1 458.691 3.718 20 0 JHADMO 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Cc1cc(N2CCC(NC(=O)[C@H](C)CC(=O)c3cccc(Br)c3)CC2)nc(C)[nH+]1 ZINC001306672440 1069398061 /nfs/dbraw/zinc/39/80/61/1069398061.db2.gz WPXPZOSZZDOFNK-CQSZACIVSA-N 1 1 459.388 3.850 20 0 JHADMO O=C(NCc1ccc(COc2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001311487000 1069400693 /nfs/dbraw/zinc/40/06/93/1069400693.db2.gz GEWMMXITNYXTIW-BDYUSTAISA-N 1 1 459.590 3.948 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001306678565 1069402992 /nfs/dbraw/zinc/40/29/92/1069402992.db2.gz KUSXIIXOHOBZIM-JGCGQSQUSA-N 1 1 460.692 3.836 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001306678602 1069403151 /nfs/dbraw/zinc/40/31/51/1069403151.db2.gz LZKHEAQDSCVFJP-UHFFFAOYSA-N 1 1 480.579 3.880 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001306679202 1069404422 /nfs/dbraw/zinc/40/44/22/1069404422.db2.gz PIPADGSSHOTRDP-YTTGMZPUSA-N 1 1 460.692 3.533 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306680114 1069406522 /nfs/dbraw/zinc/40/65/22/1069406522.db2.gz PITCIYSMVOGPBP-HXUWFJFHSA-N 1 1 494.619 3.512 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001306682184 1069412706 /nfs/dbraw/zinc/41/27/06/1069412706.db2.gz BZLRJXVSWFEEND-SFHVURJKSA-N 1 1 459.038 3.825 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306682033 1069411857 /nfs/dbraw/zinc/41/18/57/1069411857.db2.gz AESMOUZZQJTZJU-UHFFFAOYSA-N 1 1 494.640 3.858 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306681911 1069411869 /nfs/dbraw/zinc/41/18/69/1069411869.db2.gz XBWKXAHVWAGGEY-UHFFFAOYSA-N 1 1 491.478 3.792 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001306682186 1069412407 /nfs/dbraw/zinc/41/24/07/1069412407.db2.gz CAFANVJKYZBGBN-UHFFFAOYSA-N 1 1 451.619 3.604 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680951 1069408988 /nfs/dbraw/zinc/40/89/88/1069408988.db2.gz WQKAJGFYFCOWJO-HFZDXXHNSA-N 1 1 473.637 3.777 20 0 JHADMO Cc1ccc(NC(=O)C2(CNC(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCCC2)cc1C ZINC001311511132 1069416473 /nfs/dbraw/zinc/41/64/73/1069416473.db2.gz NCCWFHFAVQGTLX-OYRHEFFESA-N 1 1 458.647 3.989 20 0 JHADMO Cc1ccc(NC(=O)C2(CNC(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCCC2)cc1C ZINC001311511132 1069416477 /nfs/dbraw/zinc/41/64/77/1069416477.db2.gz NCCWFHFAVQGTLX-OYRHEFFESA-N 1 1 458.647 3.989 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306683358 1069416611 /nfs/dbraw/zinc/41/66/11/1069416611.db2.gz SHNLCGQPUNVLEN-UHFFFAOYSA-N 1 1 477.657 3.920 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001306683711 1069418182 /nfs/dbraw/zinc/41/81/82/1069418182.db2.gz BJKURIJFENHWMJ-UHFFFAOYSA-N 1 1 450.635 3.800 20 0 JHADMO CCCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311511787 1069417119 /nfs/dbraw/zinc/41/71/19/1069417119.db2.gz TVMXTJOVXSTNIG-RTBURBONSA-N 1 1 454.656 3.695 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001306683464 1069417194 /nfs/dbraw/zinc/41/71/94/1069417194.db2.gz YKXWVKCNPIYWCG-NRFANRHFSA-N 1 1 454.623 3.703 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001306682687 1069414588 /nfs/dbraw/zinc/41/45/88/1069414588.db2.gz LXQRVJASPZJWHC-NRFANRHFSA-N 1 1 461.676 3.598 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306682782 1069414739 /nfs/dbraw/zinc/41/47/39/1069414739.db2.gz NOVJOSNIQJXIPB-SANMLTNESA-N 1 1 454.663 3.937 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306686466 1069422676 /nfs/dbraw/zinc/42/26/76/1069422676.db2.gz VQUBQJIBLPTSNJ-NHCUHLMSSA-N 1 1 458.626 3.758 20 0 JHADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518038 1069419297 /nfs/dbraw/zinc/41/92/97/1069419297.db2.gz GFYRGFSXEWTPQZ-QZTJIDSGSA-N 1 1 454.537 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](SC)C1 ZINC001306685553 1069421359 /nfs/dbraw/zinc/42/13/59/1069421359.db2.gz GMZNAAQGZCNSIX-QFIPXVFZSA-N 1 1 486.734 3.906 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306685848 1069421459 /nfs/dbraw/zinc/42/14/59/1069421459.db2.gz MAIRPTHOIPNGCE-NRFANRHFSA-N 1 1 489.064 3.520 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 ZINC001306685869 1069421969 /nfs/dbraw/zinc/42/19/69/1069421969.db2.gz MIFALQZBVCLQNB-WOJBJXKFSA-N 1 1 496.722 3.650 20 0 JHADMO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001311525787 1069423252 /nfs/dbraw/zinc/42/32/52/1069423252.db2.gz UAVKPZYKGNMVTO-LEWJYISDSA-N 1 1 451.615 3.681 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001306687405 1069423938 /nfs/dbraw/zinc/42/39/38/1069423938.db2.gz GVDYKBXQQNVHTN-PIXQIBFHSA-N 1 1 477.694 3.703 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001306688059 1069425310 /nfs/dbraw/zinc/42/53/10/1069425310.db2.gz OFDWVMZIKGLGGY-UHFFFAOYSA-N 1 1 457.573 3.713 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001306688228 1069425322 /nfs/dbraw/zinc/42/53/22/1069425322.db2.gz OZMUAGLUFQWZKQ-LEDOBFOHSA-N 1 1 459.610 3.997 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001306689403 1069426667 /nfs/dbraw/zinc/42/66/67/1069426667.db2.gz WFJJOLWFZLTSGC-JOCHJYFZSA-N 1 1 468.568 3.526 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536589 1069429062 /nfs/dbraw/zinc/42/90/62/1069429062.db2.gz XNKZYBFEGKHDSB-LEWJYISDSA-N 1 1 458.569 3.744 20 0 JHADMO CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001306705603 1069440833 /nfs/dbraw/zinc/44/08/33/1069440833.db2.gz FLMZJLOSJRBKAJ-UHFFFAOYSA-N 1 1 479.629 3.781 20 0 JHADMO CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001306705603 1069440838 /nfs/dbraw/zinc/44/08/38/1069440838.db2.gz FLMZJLOSJRBKAJ-UHFFFAOYSA-N 1 1 479.629 3.781 20 0 JHADMO C[NH+]1CCN([C@H](CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c2cccs2)CC1 ZINC001311572226 1069444055 /nfs/dbraw/zinc/44/40/55/1069444055.db2.gz QLTPGSNKSJKRPK-JKSUJKDBSA-N 1 1 455.411 3.776 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001306719575 1069454016 /nfs/dbraw/zinc/45/40/16/1069454016.db2.gz DAMHUUYCCGXRBX-OAQYLSRUSA-N 1 1 486.636 3.953 20 0 JHADMO CCCCn1cc(Cn2c(C3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC001306720607 1069455668 /nfs/dbraw/zinc/45/56/68/1069455668.db2.gz VXOBZOVXZPANMS-BGYRXZFFSA-N 1 1 457.667 3.834 20 0 JHADMO CCCCn1cc(Cn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC001306720607 1069455676 /nfs/dbraw/zinc/45/56/76/1069455676.db2.gz VXOBZOVXZPANMS-BGYRXZFFSA-N 1 1 457.667 3.834 20 0 JHADMO CCCCn1cc(Cn2c(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721057 1069456719 /nfs/dbraw/zinc/45/67/19/1069456719.db2.gz PGOLFLVMDFDGIZ-LZCXECNNSA-N 1 1 487.693 3.591 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 ZINC001306721784 1069458499 /nfs/dbraw/zinc/45/84/99/1069458499.db2.gz DNMZSNUACMFRIA-OAQYLSRUSA-N 1 1 457.619 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001306722945 1069462234 /nfs/dbraw/zinc/46/22/34/1069462234.db2.gz PAYKEBQHWMKSPZ-PKTZIBPZSA-N 1 1 486.636 3.788 20 0 JHADMO CC[C@@H](NC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611133 1069463055 /nfs/dbraw/zinc/46/30/55/1069463055.db2.gz ISKXJXIAYSMABQ-JTHBVZDNSA-N 1 1 452.599 3.569 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001306723552 1069463503 /nfs/dbraw/zinc/46/35/03/1069463503.db2.gz UDVZZJWSSBNCKG-OTWHNJEPSA-N 1 1 454.610 3.798 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724548 1069465198 /nfs/dbraw/zinc/46/51/98/1069465198.db2.gz YUPOFDXCAZUSFU-FPOVZHCZSA-N 1 1 458.655 3.631 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724896 1069465774 /nfs/dbraw/zinc/46/57/74/1069465774.db2.gz AADRWTDMXPYOPT-RTWAWAEBSA-N 1 1 465.708 3.851 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001306724750 1069465786 /nfs/dbraw/zinc/46/57/86/1069465786.db2.gz ZQRALRJGIAAWQV-IBGZPJMESA-N 1 1 475.037 3.540 20 0 JHADMO CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001311614681 1069466803 /nfs/dbraw/zinc/46/68/03/1069466803.db2.gz LRTHABJINSIVDK-FYYLOGMGSA-N 1 1 456.631 3.705 20 0 JHADMO COc1cc(CC2CN(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)C2)cc(OC)c1 ZINC001311618616 1069469895 /nfs/dbraw/zinc/46/98/95/1069469895.db2.gz ZZGVRDJWZGXLBH-UHFFFAOYSA-N 1 1 459.537 3.831 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726458 1069469996 /nfs/dbraw/zinc/46/99/96/1069469996.db2.gz MOIWQFOFSMOSRM-ZEQRLZLVSA-N 1 1 488.721 3.910 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001311629860 1069478270 /nfs/dbraw/zinc/47/82/70/1069478270.db2.gz HMGDNTUDYMHGHU-NRFANRHFSA-N 1 1 456.528 3.660 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)cn1 ZINC001311632825 1069479919 /nfs/dbraw/zinc/47/99/19/1069479919.db2.gz WDLYKKDDNRAOHW-IBGZPJMESA-N 1 1 456.344 3.621 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001306730142 1069480669 /nfs/dbraw/zinc/48/06/69/1069480669.db2.gz MXNFEGBRNAUTPN-LADGPHEKSA-N 1 1 488.721 3.944 20 0 JHADMO C[C@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC001311629311 1069477637 /nfs/dbraw/zinc/47/76/37/1069477637.db2.gz BENUKFKQXPSBAV-GBXCKJPGSA-N 1 1 456.656 3.648 20 0 JHADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)c2)cc1 ZINC001311633792 1069480896 /nfs/dbraw/zinc/48/08/96/1069480896.db2.gz MLVLEJWKHNCJDO-HXUWFJFHSA-N 1 1 450.583 3.642 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306731071 1069484503 /nfs/dbraw/zinc/48/45/03/1069484503.db2.gz ONYJKOOBWXHCOZ-BJKOFHAPSA-N 1 1 458.695 3.970 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001306731210 1069485001 /nfs/dbraw/zinc/48/50/01/1069485001.db2.gz DQNCBZRNNOOLMV-ZKMPZPQNSA-N 1 1 495.716 3.906 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306732337 1069489271 /nfs/dbraw/zinc/48/92/71/1069489271.db2.gz HJTOBTHFFGWGTC-LYGMZBLVSA-N 1 1 495.716 3.906 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC001311664019 1069493280 /nfs/dbraw/zinc/49/32/80/1069493280.db2.gz HIXFCRGXWSFAOZ-HYBUGGRVSA-N 1 1 456.631 3.990 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)C1 ZINC001306742321 1069519738 /nfs/dbraw/zinc/51/97/38/1069519738.db2.gz FELFFGDYVVNKEG-HXUWFJFHSA-N 1 1 486.611 3.542 20 0 JHADMO CCOCC[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC001311744232 1069530696 /nfs/dbraw/zinc/53/06/96/1069530696.db2.gz VJHRZHULWGXMOM-QHCPKHFHSA-N 1 1 455.599 3.660 20 0 JHADMO COc1ccc([C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745740 1069531059 /nfs/dbraw/zinc/53/10/59/1069531059.db2.gz FAKMODMJGHBCDY-SQJMNOBHSA-N 1 1 453.583 3.699 20 0 JHADMO O=C(NCc1ccc(Br)cc1Cl)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001311751242 1069532575 /nfs/dbraw/zinc/53/25/75/1069532575.db2.gz IYXHPSVMPLKCLL-FQEVSTJZSA-N 1 1 452.780 3.539 20 0 JHADMO CCN(C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311790514 1069546321 /nfs/dbraw/zinc/54/63/21/1069546321.db2.gz DZVXYYIJUYOOJT-QGZVFWFLSA-N 1 1 450.649 3.926 20 0 JHADMO CCN(C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311790514 1069546329 /nfs/dbraw/zinc/54/63/29/1069546329.db2.gz DZVXYYIJUYOOJT-QGZVFWFLSA-N 1 1 450.649 3.926 20 0 JHADMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001311805325 1069553377 /nfs/dbraw/zinc/55/33/77/1069553377.db2.gz OOORRYKUYILLIE-HRAATJIYSA-N 1 1 451.489 3.803 20 0 JHADMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001311805325 1069553383 /nfs/dbraw/zinc/55/33/83/1069553383.db2.gz OOORRYKUYILLIE-HRAATJIYSA-N 1 1 451.489 3.803 20 0 JHADMO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001306765911 1069567298 /nfs/dbraw/zinc/56/72/98/1069567298.db2.gz YIWMIHKRXYNHNA-GOSISDBHSA-N 1 1 451.619 3.549 20 0 JHADMO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001311829778 1069567408 /nfs/dbraw/zinc/56/74/08/1069567408.db2.gz NLVYCOCKQWLYGL-YGOYIFOWSA-N 1 1 457.018 3.676 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)OC)C1 ZINC001306778995 1069574885 /nfs/dbraw/zinc/57/48/85/1069574885.db2.gz CODSLJUXZJENTN-DLBZAZTESA-N 1 1 450.425 3.911 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCO[C@H](C)C2)C1 ZINC001306779835 1069575924 /nfs/dbraw/zinc/57/59/24/1069575924.db2.gz JGQIVJXUPIXDDF-HKBOAZHASA-N 1 1 471.646 3.946 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)C1 ZINC001306779836 1069576115 /nfs/dbraw/zinc/57/61/15/1069576115.db2.gz JGQIVJXUPIXDDF-NJYVYQBISA-N 1 1 471.646 3.946 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306780361 1069577369 /nfs/dbraw/zinc/57/73/69/1069577369.db2.gz BAONXCWLIDAVBT-OALUTQOASA-N 1 1 467.536 3.897 20 0 JHADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N3CCC([N@@H+](C)CCCO)CC3)cc2)cc1 ZINC001311849630 1069579009 /nfs/dbraw/zinc/57/90/09/1069579009.db2.gz WJMWLUYHARMEAN-QFIPXVFZSA-N 1 1 453.627 3.993 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2OC)C1 ZINC001306782834 1069581909 /nfs/dbraw/zinc/58/19/09/1069581909.db2.gz GEEXBZWLZCIBDO-LJQANCHMSA-N 1 1 450.587 3.574 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCSC)C1 ZINC001306781374 1069579378 /nfs/dbraw/zinc/57/93/78/1069579378.db2.gz SUCFEPMJGPIUKK-MRXNPFEDSA-N 1 1 469.497 3.967 20 0 JHADMO 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 1069579488 /nfs/dbraw/zinc/57/94/88/1069579488.db2.gz ISOMAJUVVIMCFH-FSSWDIPSSA-N 1 1 490.693 3.597 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(C)C)C1 ZINC001306782292 1069580524 /nfs/dbraw/zinc/58/05/24/1069580524.db2.gz CKMBBRLJIGTHRL-FQEVSTJZSA-N 1 1 451.619 3.682 20 0 JHADMO 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CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001312230198 1069795416 /nfs/dbraw/zinc/79/54/16/1069795416.db2.gz YXBVJZSRVKUHBZ-SFTDATJTSA-N 1 1 456.537 3.670 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001307049557 1069797962 /nfs/dbraw/zinc/79/79/62/1069797962.db2.gz OSQXUAZNFRWBDI-ZWOKBUDYSA-N 1 1 496.450 3.726 20 0 JHADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC001312247366 1069806428 /nfs/dbraw/zinc/80/64/28/1069806428.db2.gz IQQMXJCFHIXQTC-DOTOQJQBSA-N 1 1 459.944 3.706 20 0 JHADMO C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001312249715 1069807903 /nfs/dbraw/zinc/80/79/03/1069807903.db2.gz ABSNFYAZQNVSGL-DVECYGJZSA-N 1 1 452.574 3.527 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC)C1 ZINC001307054640 1069815999 /nfs/dbraw/zinc/81/59/99/1069815999.db2.gz KPFCCJYJTURJMN-PMACEKPBSA-N 1 1 457.619 3.842 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](C)C1 ZINC001307054787 1069816182 /nfs/dbraw/zinc/81/61/82/1069816182.db2.gz MKSAXIQLHVFTSK-SJLPKXTDSA-N 1 1 465.440 3.915 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001307054664 1069817162 /nfs/dbraw/zinc/81/71/62/1069817162.db2.gz KSNNGWLPIUIWHD-QUCCMNQESA-N 1 1 489.462 3.674 20 0 JHADMO O=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312264064 1069822015 /nfs/dbraw/zinc/82/20/15/1069822015.db2.gz BWXKVTNUULSMPS-GGAORHGYSA-N 1 1 450.608 3.535 20 0 JHADMO CCOc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001314206727 1069819321 /nfs/dbraw/zinc/81/93/21/1069819321.db2.gz LVDQCKBSUUWYOB-UHFFFAOYSA-N 1 1 477.613 3.683 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307055392 1069820089 /nfs/dbraw/zinc/82/00/89/1069820089.db2.gz PGPPZGKXAISHKI-BHIFYINESA-N 1 1 498.672 3.748 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055146 1069820124 /nfs/dbraw/zinc/82/01/24/1069820124.db2.gz OTKFSIBNBDBTAK-KNQAVFIVSA-N 1 1 457.667 3.983 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001307056605 1069828301 /nfs/dbraw/zinc/82/83/01/1069828301.db2.gz UTDLQBOFKLOPEB-PMACEKPBSA-N 1 1 489.462 3.687 20 0 JHADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCc2ccccc2[C@@H]1CO ZINC001312266566 1069824695 /nfs/dbraw/zinc/82/46/95/1069824695.db2.gz SRYAPKIYUBDPTA-QFIPXVFZSA-N 1 1 458.400 3.715 20 0 JHADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CC(CC2CCOCC2)C1 ZINC001312267286 1069825145 /nfs/dbraw/zinc/82/51/45/1069825145.db2.gz XTXLBEHXDFLUJR-UHFFFAOYSA-N 1 1 450.421 3.872 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001307056471 1069826914 /nfs/dbraw/zinc/82/69/14/1069826914.db2.gz AFWHXESJFRMAPO-QFIPXVFZSA-N 1 1 468.646 3.618 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056831 1069829255 /nfs/dbraw/zinc/82/92/55/1069829255.db2.gz CJCAGKGTTUCJSQ-FCHUYYIVSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057344 1069833622 /nfs/dbraw/zinc/83/36/22/1069833622.db2.gz IYGKPUIITTZPGH-BHDDXSALSA-N 1 1 490.693 3.788 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057380 1069832631 /nfs/dbraw/zinc/83/26/31/1069832631.db2.gz JIUOOMFUUAWCSO-LEWJYISDSA-N 1 1 477.650 3.610 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC ZINC001307057417 1069835194 /nfs/dbraw/zinc/83/51/94/1069835194.db2.gz FNFUSWOIPLRXFO-QGZVFWFLSA-N 1 1 452.397 3.882 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001307059131 1069843054 /nfs/dbraw/zinc/84/30/54/1069843054.db2.gz QQRSAIVVWYNTRE-RCZVLFRGSA-N 1 1 495.716 3.906 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 ZINC001307059315 1069844115 /nfs/dbraw/zinc/84/41/15/1069844115.db2.gz RPARTMIEQJPLOX-QHCPKHFHSA-N 1 1 485.673 3.977 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059484 1069845781 /nfs/dbraw/zinc/84/57/81/1069845781.db2.gz XGBRNTWLYYLRKC-BHIFYINESA-N 1 1 490.693 3.882 20 0 JHADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001312305582 1069849782 /nfs/dbraw/zinc/84/97/82/1069849782.db2.gz QPYDSKQVBVGYJM-HAGHYFMRSA-N 1 1 452.546 3.560 20 0 JHADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001312305582 1069849803 /nfs/dbraw/zinc/84/98/03/1069849803.db2.gz QPYDSKQVBVGYJM-HAGHYFMRSA-N 1 1 452.546 3.560 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307061363 1069852426 /nfs/dbraw/zinc/85/24/26/1069852426.db2.gz GAGHABVZALIJGS-LJQANCHMSA-N 1 1 464.536 3.952 20 0 JHADMO C[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC001312307765 1069852341 /nfs/dbraw/zinc/85/23/41/1069852341.db2.gz YKRBYLIARFGPEA-OALUTQOASA-N 1 1 452.361 3.805 20 0 JHADMO C[N@H+]1CC[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC001312307765 1069852363 /nfs/dbraw/zinc/85/23/63/1069852363.db2.gz YKRBYLIARFGPEA-OALUTQOASA-N 1 1 452.361 3.805 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001314216728 1069850776 /nfs/dbraw/zinc/85/07/76/1069850776.db2.gz LJVUAPXSQCWQLB-NJYVYQBISA-N 1 1 489.686 3.554 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001307061698 1069855546 /nfs/dbraw/zinc/85/55/46/1069855546.db2.gz HMQFTPKQTPZTQC-GMAHTHKFSA-N 1 1 468.646 3.917 20 0 JHADMO C[C@H]1C[C@@H](CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC001312314934 1069857765 /nfs/dbraw/zinc/85/77/65/1069857765.db2.gz RNFDEWMFXRRRLI-PZJWPPBQSA-N 1 1 453.574 3.543 20 0 JHADMO C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)C[N@H+]1Cc1ccccc1 ZINC001312315468 1069858714 /nfs/dbraw/zinc/85/87/14/1069858714.db2.gz WEPRRLNGULEHJH-ZYKOEDHHSA-N 1 1 452.574 3.873 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859235 /nfs/dbraw/zinc/85/92/35/1069859235.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 1 1 472.653 3.894 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[C@@H]1CCOC1 ZINC001314219423 1069862512 /nfs/dbraw/zinc/86/25/12/1069862512.db2.gz YQBZENIGZXOYCE-PWRODBHTSA-N 1 1 457.619 3.601 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001307063096 1069862126 /nfs/dbraw/zinc/86/21/26/1069862126.db2.gz MGVHYZREJDSLRA-YLJYHZDGSA-N 1 1 463.001 3.923 20 0 JHADMO 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 1069867334 /nfs/dbraw/zinc/86/73/34/1069867334.db2.gz DJIMNWYVJAFCIE-FNAHDJPLSA-N 1 1 490.693 3.929 20 0 JHADMO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001312340529 1069874223 /nfs/dbraw/zinc/87/42/23/1069874223.db2.gz ITVQBIGJYBONDV-SBFWRKJZSA-N 1 1 469.651 3.839 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C ZINC001307068629 1069880017 /nfs/dbraw/zinc/88/00/17/1069880017.db2.gz QVBNHWAEPZEEMB-CGXNFDGLSA-N 1 1 476.666 3.538 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1C(C)(C)C ZINC001307069279 1069881693 /nfs/dbraw/zinc/88/16/93/1069881693.db2.gz RWAITXMAKAYMMK-NRFANRHFSA-N 1 1 484.693 3.664 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001307070056 1069884141 /nfs/dbraw/zinc/88/41/41/1069884141.db2.gz WGTXGUMIVZYCIA-DNQXCXABSA-N 1 1 482.673 3.735 20 0 JHADMO 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 ZINC001312357762 1069884281 /nfs/dbraw/zinc/88/42/81/1069884281.db2.gz ROGXUDVPXTZJIC-WAABAYLZSA-N 1 1 454.659 3.869 20 0 JHADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC(O[C@H]2CCOC2)CC1 ZINC001312368605 1069891483 /nfs/dbraw/zinc/89/14/83/1069891483.db2.gz CMSHBIHPYXMNIW-NRFANRHFSA-N 1 1 456.414 3.937 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001314225955 1069893676 /nfs/dbraw/zinc/89/36/76/1069893676.db2.gz CSCVNZNVUSOZQD-FGZHOGPDSA-N 1 1 471.646 3.727 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314226115 1069894761 /nfs/dbraw/zinc/89/47/61/1069894761.db2.gz PZEAFSXKMZPINS-ACESQOTJSA-N 1 1 485.673 3.831 20 0 JHADMO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001312379217 1069897013 /nfs/dbraw/zinc/89/70/13/1069897013.db2.gz BQBQSROVGJPSDP-IEBWSBKVSA-N 1 1 455.521 3.814 20 0 JHADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2nc3c(s2)c(OC)ccc3OC)CC1 ZINC001307236716 1069910178 /nfs/dbraw/zinc/91/01/78/1069910178.db2.gz NRMCRFMLOQJGTO-GOSISDBHSA-N 1 1 454.596 3.501 20 0 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O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307593587 1070070853 /nfs/dbraw/zinc/07/08/53/1070070853.db2.gz DDPVHKNZRJULKY-HSZRJFAPSA-N 1 1 457.590 3.550 20 0 JHADMO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307593588 1070070887 /nfs/dbraw/zinc/07/08/87/1070070887.db2.gz DDPVHKNZRJULKY-QHCPKHFHSA-N 1 1 457.590 3.550 20 0 JHADMO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307593588 1070070904 /nfs/dbraw/zinc/07/09/04/1070070904.db2.gz DDPVHKNZRJULKY-QHCPKHFHSA-N 1 1 457.590 3.550 20 0 JHADMO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CC[C@@H](C4CC4)C3)C2=O)cc1 ZINC001307589041 1070067774 /nfs/dbraw/zinc/06/77/74/1070067774.db2.gz RAEIGEMPNMDMNY-BWCLHNGZSA-N 1 1 455.624 3.869 20 0 JHADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589424 1070067828 /nfs/dbraw/zinc/06/78/28/1070067828.db2.gz VITGVADQHHFEBE-GJZGRUSLSA-N 1 1 459.513 3.539 20 0 JHADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589424 1070067845 /nfs/dbraw/zinc/06/78/45/1070067845.db2.gz VITGVADQHHFEBE-GJZGRUSLSA-N 1 1 459.513 3.539 20 0 JHADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599763 1070074104 /nfs/dbraw/zinc/07/41/04/1070074104.db2.gz STSWEHNHFZFLJK-HXUWFJFHSA-N 1 1 459.553 3.877 20 0 JHADMO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599763 1070074119 /nfs/dbraw/zinc/07/41/19/1070074119.db2.gz STSWEHNHFZFLJK-HXUWFJFHSA-N 1 1 459.553 3.877 20 0 JHADMO CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001307604522 1070077519 /nfs/dbraw/zinc/07/75/19/1070077519.db2.gz WBJWHPYBBITYIJ-WWNPGLIZSA-N 1 1 459.631 3.855 20 0 JHADMO Cn1cnnc1[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001312681564 1070080181 /nfs/dbraw/zinc/08/01/81/1070080181.db2.gz MKHUZPRFVIVBJX-SJORKVTESA-N 1 1 458.916 3.941 20 0 JHADMO 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CCOCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001314301433 1070085195 /nfs/dbraw/zinc/08/51/95/1070085195.db2.gz DJYCPHSIUPALHJ-VWNXMTODSA-N 1 1 482.673 3.707 20 0 JHADMO CCOCc1nnc(N(C)Cc2cc(OC)ccc2Br)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001314301728 1070086057 /nfs/dbraw/zinc/08/60/57/1070086057.db2.gz XCJOKIOFCXXCIU-INIZCTEOSA-N 1 1 489.418 3.681 20 0 JHADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC001307639775 1070095669 /nfs/dbraw/zinc/09/56/69/1070095669.db2.gz KCCBKRGYJVMYOY-BFUOFWGJSA-N 1 1 456.395 3.655 20 0 JHADMO CCOCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320334 1070104657 /nfs/dbraw/zinc/10/46/57/1070104657.db2.gz CKKUJDHMFRGOJG-PMACEKPBSA-N 1 1 456.635 3.888 20 0 JHADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001307659284 1070107233 /nfs/dbraw/zinc/10/72/33/1070107233.db2.gz HPKSYTHXKMRTOG-FQEVSTJZSA-N 1 1 453.549 3.896 20 0 JHADMO CCOC(=O)c1c(NC(=O)CN(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc2c1CCC2 ZINC001307659272 1070108230 /nfs/dbraw/zinc/10/82/30/1070108230.db2.gz SFNKOSNPFAYUCM-LJQANCHMSA-N 1 1 455.624 3.948 20 0 JHADMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC001307663361 1070109714 /nfs/dbraw/zinc/10/97/14/1070109714.db2.gz WINLJBJDPKQAPQ-ZDUSSCGKSA-N 1 1 458.540 3.621 20 0 JHADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307662919 1070109768 /nfs/dbraw/zinc/10/97/68/1070109768.db2.gz NJTQMEMNYVRZTC-CPNJWEJPSA-N 1 1 451.386 3.518 20 0 JHADMO CCOCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314323922 1070109849 /nfs/dbraw/zinc/10/98/49/1070109849.db2.gz TUIFTVJEDWUQLL-BMGDILEWSA-N 1 1 475.943 3.927 20 0 JHADMO CCOCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330139 1070121727 /nfs/dbraw/zinc/12/17/27/1070121727.db2.gz ZEMNBSXUWZAQDK-SJLPKXTDSA-N 1 1 464.010 3.597 20 0 JHADMO 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OCC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687456 1070126482 /nfs/dbraw/zinc/12/64/82/1070126482.db2.gz AORIICXACUMMKK-CRAIPNDOSA-N 1 1 450.377 3.940 20 0 JHADMO CCOCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314336557 1070130757 /nfs/dbraw/zinc/13/07/57/1070130757.db2.gz XBBVRZOSLRRUKN-OAQYLSRUSA-N 1 1 461.573 3.609 20 0 JHADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001307694271 1070131043 /nfs/dbraw/zinc/13/10/43/1070131043.db2.gz NIPBLGSYJNYCSL-KKSFZXQISA-N 1 1 456.530 3.842 20 0 JHADMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700168 1070134197 /nfs/dbraw/zinc/13/41/97/1070134197.db2.gz ZRPKSFLIGNDYCD-AEFFLSMTSA-N 1 1 453.530 3.893 20 0 JHADMO CCC[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[N@H+]1CCOC ZINC001312813532 1070136993 /nfs/dbraw/zinc/13/69/93/1070136993.db2.gz HNMZHZMRGLYTSD-QGZVFWFLSA-N 1 1 451.409 3.615 20 0 JHADMO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312814541 1070138120 /nfs/dbraw/zinc/13/81/20/1070138120.db2.gz SVRBPZZODVWAQW-PKTZIBPZSA-N 1 1 454.615 3.579 20 0 JHADMO C[C@H]1[C@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001312815786 1070139819 /nfs/dbraw/zinc/13/98/19/1070139819.db2.gz NZXMEMBMJDEPOC-WMZHIEFXSA-N 1 1 455.002 3.861 20 0 JHADMO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001312824038 1070143757 /nfs/dbraw/zinc/14/37/57/1070143757.db2.gz RDGLJJOQIKNFSW-VXNXHJTFSA-N 1 1 458.002 3.839 20 0 JHADMO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719512 1070144319 /nfs/dbraw/zinc/14/43/19/1070144319.db2.gz NKAFFFIWMMXAOJ-PMACEKPBSA-N 1 1 459.553 3.698 20 0 JHADMO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719512 1070144321 /nfs/dbraw/zinc/14/43/21/1070144321.db2.gz NKAFFFIWMMXAOJ-PMACEKPBSA-N 1 1 459.553 3.698 20 0 JHADMO CCOCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001314342701 1070145160 /nfs/dbraw/zinc/14/51/60/1070145160.db2.gz XNIZUFTVBGGPGK-URXFXBBRSA-N 1 1 474.694 3.554 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOc1ccc(C)cc1 ZINC001314343087 1070145756 /nfs/dbraw/zinc/14/57/56/1070145756.db2.gz SNGCWADEBDKOTH-SZPZYZBQSA-N 1 1 471.646 3.528 20 0 JHADMO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC2CC2)c(OC)c1 ZINC001307722844 1070146842 /nfs/dbraw/zinc/14/68/42/1070146842.db2.gz YXALLRXIIKRULT-UHFFFAOYSA-N 1 1 458.356 3.886 20 0 JHADMO CCOCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314347207 1070154337 /nfs/dbraw/zinc/15/43/37/1070154337.db2.gz WEIAXMCHOCWYDN-WOJBJXKFSA-N 1 1 478.682 3.676 20 0 JHADMO CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001314347707 1070155950 /nfs/dbraw/zinc/15/59/50/1070155950.db2.gz PGKSWUPTISRILT-UHFFFAOYSA-N 1 1 491.080 3.520 20 0 JHADMO 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C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308042894 1070290136 /nfs/dbraw/zinc/29/01/36/1070290136.db2.gz FCFLICWFMGSFHW-UHFFFAOYSA-N 1 1 453.649 3.608 20 0 JHADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C(C)C ZINC001308048876 1070292290 /nfs/dbraw/zinc/29/22/90/1070292290.db2.gz XKNRYCRSYHXSIL-AEFFLSMTSA-N 1 1 459.568 3.906 20 0 JHADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C(C)C ZINC001308048876 1070292300 /nfs/dbraw/zinc/29/23/00/1070292300.db2.gz XKNRYCRSYHXSIL-AEFFLSMTSA-N 1 1 459.568 3.906 20 0 JHADMO CC(C)(C)Oc1cccc(CNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001313240109 1070302475 /nfs/dbraw/zinc/30/24/75/1070302475.db2.gz AFBATHKZUUNMNR-XMMPIXPASA-N 1 1 450.627 3.966 20 0 JHADMO CCOC[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314426852 1070305366 /nfs/dbraw/zinc/30/53/66/1070305366.db2.gz QEUBBHPQJICUSR-FQEVSTJZSA-N 1 1 492.064 3.874 20 0 JHADMO Cc1cccc(C)c1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308079269 1070305957 /nfs/dbraw/zinc/30/59/57/1070305957.db2.gz YCYYPJRUQJNJQH-SZPZYZBQSA-N 1 1 456.631 3.790 20 0 JHADMO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001313267289 1070311132 /nfs/dbraw/zinc/31/11/32/1070311132.db2.gz BISVWZICXBNJRS-YLFCFFPRSA-N 1 1 453.427 3.849 20 0 JHADMO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001313267289 1070311150 /nfs/dbraw/zinc/31/11/50/1070311150.db2.gz BISVWZICXBNJRS-YLFCFFPRSA-N 1 1 453.427 3.849 20 0 JHADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001313262964 1070309180 /nfs/dbraw/zinc/30/91/80/1070309180.db2.gz FKGBZGCYWPYWQC-UHFFFAOYSA-N 1 1 459.631 3.821 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001308106842 1070314126 /nfs/dbraw/zinc/31/41/26/1070314126.db2.gz GHMACAUNOFRVMF-KRWDZBQOSA-N 1 1 459.370 3.714 20 0 JHADMO 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 1070314753 /nfs/dbraw/zinc/31/47/53/1070314753.db2.gz VXERUWKJTFHGJC-LNRXMEIDSA-N 1 1 490.693 3.644 20 0 JHADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001308110539 1070315827 /nfs/dbraw/zinc/31/58/27/1070315827.db2.gz KPUHMAQRJQFTRF-GFCCVEGCSA-N 1 1 453.465 3.602 20 0 JHADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)sc2c1CC[C@H](C)C2 ZINC001308147687 1070329699 /nfs/dbraw/zinc/32/96/99/1070329699.db2.gz FINRKFPCOKRMIQ-MHYXUVESSA-N 1 1 470.635 3.912 20 0 JHADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)sc2c1CC[C@H](C)C2 ZINC001308147687 1070329715 /nfs/dbraw/zinc/32/97/15/1070329715.db2.gz FINRKFPCOKRMIQ-MHYXUVESSA-N 1 1 470.635 3.912 20 0 JHADMO 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 1070331434 /nfs/dbraw/zinc/33/14/34/1070331434.db2.gz OFLXUDREOQKDSV-NRAIQUKZSA-N 1 1 458.599 3.641 20 0 JHADMO Fc1cc(Br)c(I)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC001308188425 1070338699 /nfs/dbraw/zinc/33/86/99/1070338699.db2.gz OOKWBNLMICWZCK-UHFFFAOYSA-N 1 1 453.137 3.909 20 0 JHADMO CCc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC001308174224 1070336700 /nfs/dbraw/zinc/33/67/00/1070336700.db2.gz RPRYHXQJSAGJHY-LJQANCHMSA-N 1 1 455.624 3.809 20 0 JHADMO CCc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC001308174224 1070336719 /nfs/dbraw/zinc/33/67/19/1070336719.db2.gz RPRYHXQJSAGJHY-LJQANCHMSA-N 1 1 455.624 3.809 20 0 JHADMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001313368367 1070338962 /nfs/dbraw/zinc/33/89/62/1070338962.db2.gz FPDUNCZTAPIYDY-INIZCTEOSA-N 1 1 451.409 3.541 20 0 JHADMO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313367442 1070339168 /nfs/dbraw/zinc/33/91/68/1070339168.db2.gz YPVZGSWBZXJROU-GMQQYTKMSA-N 1 1 470.617 3.653 20 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COc1cc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344173 1070359502 /nfs/dbraw/zinc/35/95/02/1070359502.db2.gz XRUVCOGSXVJKOE-TUNNFDKTSA-N 1 1 458.002 3.603 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC001313421463 1070355000 /nfs/dbraw/zinc/35/50/00/1070355000.db2.gz PHXQAEGDQOBRPY-JOCHJYFZSA-N 1 1 457.500 3.844 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC001313421463 1070355015 /nfs/dbraw/zinc/35/50/15/1070355015.db2.gz PHXQAEGDQOBRPY-JOCHJYFZSA-N 1 1 457.500 3.844 20 0 JHADMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(I)c(Br)cc1F ZINC001308323004 1070356467 /nfs/dbraw/zinc/35/64/67/1070356467.db2.gz YVGZRDVRHCCNDL-VFZGTOFNSA-N 1 1 453.137 3.765 20 0 JHADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(I)c(Br)cc1F ZINC001308323004 1070356482 /nfs/dbraw/zinc/35/64/82/1070356482.db2.gz YVGZRDVRHCCNDL-VFZGTOFNSA-N 1 1 453.137 3.765 20 0 JHADMO CCn1c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)nc(Br)c1Br ZINC001308348869 1070360014 /nfs/dbraw/zinc/36/00/14/1070360014.db2.gz DHIRYVKRAFQUDL-LBPRGKRZSA-N 1 1 451.203 3.984 20 0 JHADMO CCOCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001314458584 1070360255 /nfs/dbraw/zinc/36/02/55/1070360255.db2.gz FBLKXVNHJUFULC-GHTZIAJQSA-N 1 1 492.462 3.681 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001313447153 1070365360 /nfs/dbraw/zinc/36/53/60/1070365360.db2.gz IGNGLHYOZYPUMY-RBUKOAKNSA-N 1 1 479.467 3.926 20 0 JHADMO CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001314460236 1070366366 /nfs/dbraw/zinc/36/63/66/1070366366.db2.gz CYACNIKTMZXGEQ-UXHICEINSA-N 1 1 478.682 3.738 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](C)C1 ZINC001313447411 1070366755 /nfs/dbraw/zinc/36/67/55/1070366755.db2.gz JIQQVJBMHVPRRY-FPOVZHCZSA-N 1 1 459.660 3.849 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnccn1 ZINC001313447576 1070367846 /nfs/dbraw/zinc/36/78/46/1070367846.db2.gz LAXOUWQJNPOOPI-IBGZPJMESA-N 1 1 457.529 3.847 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001313448724 1070372659 /nfs/dbraw/zinc/37/26/59/1070372659.db2.gz OFAMFLHFXQGJLU-YADHBBJMSA-N 1 1 484.645 3.798 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001313448733 1070372734 /nfs/dbraw/zinc/37/27/34/1070372734.db2.gz AKCMWPNHEWKCQH-KRWDZBQOSA-N 1 1 468.415 3.615 20 0 JHADMO CCOc1cc(C[NH2+]C2(c3cc(C)no3)CCOCC2)ccc1OCC(=O)N1CCCCC1 ZINC001308481642 1070380584 /nfs/dbraw/zinc/38/05/84/1070380584.db2.gz VMRWMZSUHVFMFP-UHFFFAOYSA-N 1 1 457.571 3.569 20 0 JHADMO COc1nsc(CNc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c1Br ZINC001308457365 1070378367 /nfs/dbraw/zinc/37/83/67/1070378367.db2.gz OEPBKKHIVRIZOH-UHFFFAOYSA-N 1 1 455.422 3.543 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2cc(Br)ccc2OC(F)F)C1 ZINC001308477132 1070379281 /nfs/dbraw/zinc/37/92/81/1070379281.db2.gz ADIBKLBMTMJTTH-IBGZPJMESA-N 1 1 454.359 3.956 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2cc(Br)ccc2OC(F)F)C1 ZINC001308477132 1070379292 /nfs/dbraw/zinc/37/92/92/1070379292.db2.gz ADIBKLBMTMJTTH-IBGZPJMESA-N 1 1 454.359 3.956 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2cc(Br)ccc2OC(F)F)C1 ZINC001308477133 1070379616 /nfs/dbraw/zinc/37/96/16/1070379616.db2.gz ADIBKLBMTMJTTH-LJQANCHMSA-N 1 1 454.359 3.956 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNCc2cc(Br)ccc2OC(F)F)C1 ZINC001308477133 1070379634 /nfs/dbraw/zinc/37/96/34/1070379634.db2.gz ADIBKLBMTMJTTH-LJQANCHMSA-N 1 1 454.359 3.956 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313452525 1070382847 /nfs/dbraw/zinc/38/28/47/1070382847.db2.gz LINROXCSVJQIAK-DYXWJJEUSA-N 1 1 481.563 3.930 20 0 JHADMO CCn1c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)nc(Br)c1Br ZINC001308512553 1070383466 /nfs/dbraw/zinc/38/34/66/1070383466.db2.gz DMHNHXLZKRFHRX-SNVBAGLBSA-N 1 1 452.191 3.527 20 0 JHADMO CCCn1nc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC(C)C)c2ccccc2c1=O ZINC001313453260 1070384980 /nfs/dbraw/zinc/38/49/80/1070384980.db2.gz PDEMKAUTXITCAM-UHFFFAOYSA-N 1 1 495.672 3.516 20 0 JHADMO CCCn1nc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313454172 1070388293 /nfs/dbraw/zinc/38/82/93/1070388293.db2.gz FDAYXEWGHMOTNU-FQEVSTJZSA-N 1 1 495.672 3.799 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC001308564424 1070390356 /nfs/dbraw/zinc/39/03/56/1070390356.db2.gz LNPROPPQEKOBRE-OAHLLOKOSA-N 1 1 459.513 3.837 20 0 JHADMO CC[N@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)C[C@@H]1COc2ccccc2O1 ZINC001308570284 1070391813 /nfs/dbraw/zinc/39/18/13/1070391813.db2.gz LTELWXJRTTXUKJ-HXUWFJFHSA-N 1 1 457.571 3.999 20 0 JHADMO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC001308589978 1070395927 /nfs/dbraw/zinc/39/59/27/1070395927.db2.gz YDGSIIXLWBGYAH-LLVKDONJSA-N 1 1 458.813 3.871 20 0 JHADMO 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CCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001314494032 1070409112 /nfs/dbraw/zinc/40/91/12/1070409112.db2.gz YGRUSBAMLXXVAY-IBGZPJMESA-N 1 1 466.051 3.561 20 0 JHADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC001308661673 1070413257 /nfs/dbraw/zinc/41/32/57/1070413257.db2.gz CIZBLWTYBPJJGP-FDDCHVKYSA-N 1 1 454.567 3.591 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2=CCCCC2)CC1 ZINC001314496614 1070418085 /nfs/dbraw/zinc/41/80/85/1070418085.db2.gz LCOTWKVXPDQMFB-UHFFFAOYSA-N 1 1 477.451 3.705 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnc(C)s2)C[C@H]1CC ZINC001314496969 1070419656 /nfs/dbraw/zinc/41/96/56/1070419656.db2.gz PHTDJCZNNHUJJV-LJQANCHMSA-N 1 1 476.050 3.744 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)CC1 ZINC001314497387 1070420391 /nfs/dbraw/zinc/42/03/91/1070420391.db2.gz RIBAFAFUJXSVNB-UHFFFAOYSA-N 1 1 498.491 3.744 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C)nc2)C[C@@H]1CC 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/nfs/dbraw/zinc/44/82/30/1070448230.db2.gz KAFHNEDBJUBHSP-XPNTWCBSSA-N 1 1 455.603 3.611 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001313468690 1070449570 /nfs/dbraw/zinc/44/95/70/1070449570.db2.gz OSMCSFDPUSFENE-OAQYLSRUSA-N 1 1 452.647 3.592 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001313469037 1070450896 /nfs/dbraw/zinc/45/08/96/1070450896.db2.gz YIUDYQQZCDQXNK-JOCHJYFZSA-N 1 1 452.647 3.952 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001313470219 1070455888 /nfs/dbraw/zinc/45/58/88/1070455888.db2.gz LWYLVQMNMGIQSO-OAQYLSRUSA-N 1 1 467.662 3.512 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313470709 1070457872 /nfs/dbraw/zinc/45/78/72/1070457872.db2.gz ZNXXFFJANZZQQF-BGYRXZFFSA-N 1 1 469.678 3.772 20 0 JHADMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1 ZINC001308912900 1070458381 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CN(CCCCc1ccccc1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314846538 1071204077 /nfs/dbraw/zinc/20/40/77/1071204077.db2.gz QFGWWGVRZKGVAR-UHFFFAOYSA-N 1 1 463.674 3.769 20 0 JHADMO CN(CCCCc1ccccc1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314846538 1071204087 /nfs/dbraw/zinc/20/40/87/1071204087.db2.gz QFGWWGVRZKGVAR-UHFFFAOYSA-N 1 1 463.674 3.769 20 0 JHADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)c1 ZINC001310203724 1071205174 /nfs/dbraw/zinc/20/51/74/1071205174.db2.gz HIFCQAFPIVJJFB-IBGZPJMESA-N 1 1 451.354 3.644 20 0 JHADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)c1 ZINC001310203724 1071205175 /nfs/dbraw/zinc/20/51/75/1071205175.db2.gz HIFCQAFPIVJJFB-IBGZPJMESA-N 1 1 451.354 3.644 20 0 JHADMO CC[N@@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1)C1CC1 ZINC001313801897 1071206685 /nfs/dbraw/zinc/20/66/85/1071206685.db2.gz KTBPNSFMHLHZDO-RBBKRZOGSA-N 1 1 468.646 3.624 20 0 JHADMO CC[N@@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC001313802060 1071207170 /nfs/dbraw/zinc/20/71/70/1071207170.db2.gz MWYMWIOTOZXIDS-DHIUTWEWSA-N 1 1 482.673 3.966 20 0 JHADMO C[N@@H+](CCCn1c(C2CC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C1CCCCC1 ZINC001314848272 1071207852 /nfs/dbraw/zinc/20/78/52/1071207852.db2.gz JTYAPWQPKGLECQ-UHFFFAOYSA-N 1 1 460.564 3.833 20 0 JHADMO C[N@@H+](CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314848844 1071209984 /nfs/dbraw/zinc/20/99/84/1071209984.db2.gz LQHXJVPOWFXYQX-XMMPIXPASA-N 1 1 459.038 3.955 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C)C1CC1 ZINC001313804119 1071213710 /nfs/dbraw/zinc/21/37/10/1071213710.db2.gz BKOFUWDMIGWEDV-LJQANCHMSA-N 1 1 454.619 3.635 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)OC)C1)C(C)C ZINC001313803444 1071211062 /nfs/dbraw/zinc/21/10/62/1071211062.db2.gz QVFTVBMECDAMKM-SFHVURJKSA-N 1 1 465.545 3.666 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(=O)C(C)C)CC1)C(C)C ZINC001313803430 1071211174 /nfs/dbraw/zinc/21/11/74/1071211174.db2.gz QQHPEIHOODMQEX-UHFFFAOYSA-N 1 1 492.615 3.972 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C)CCC(F)(F)F ZINC001313803363 1071211252 /nfs/dbraw/zinc/21/12/52/1071211252.db2.gz PQPWVLPPSJGOKD-OAHLLOKOSA-N 1 1 472.943 3.540 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001313803495 1071211279 /nfs/dbraw/zinc/21/12/79/1071211279.db2.gz RHIIXGPWAWIQJH-HDICACEKSA-N 1 1 457.619 3.938 20 0 JHADMO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001310214165 1071211645 /nfs/dbraw/zinc/21/16/45/1071211645.db2.gz QSSADOBUNOOQKZ-IRLDBZIGSA-N 1 1 467.566 3.725 20 0 JHADMO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001310214165 1071211653 /nfs/dbraw/zinc/21/16/53/1071211653.db2.gz QSSADOBUNOOQKZ-IRLDBZIGSA-N 1 1 467.566 3.725 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001313803870 1071212582 /nfs/dbraw/zinc/21/25/82/1071212582.db2.gz WUCPCUSIMWEJGY-UHFFFAOYSA-N 1 1 487.645 3.815 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313804279 1071214326 /nfs/dbraw/zinc/21/43/26/1071214326.db2.gz DMDTUANMEHUYON-OAHLLOKOSA-N 1 1 493.372 3.546 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1)CCC(F)(F)F ZINC001313804663 1071216754 /nfs/dbraw/zinc/21/67/54/1071216754.db2.gz GMLOWIRZLKDPPP-QFIPXVFZSA-N 1 1 497.566 3.595 20 0 JHADMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CC2)oc1C ZINC001310222264 1071217551 /nfs/dbraw/zinc/21/75/51/1071217551.db2.gz SKCHBZKGZWCZMS-UHFFFAOYSA-N 1 1 453.587 3.870 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)C1CC1 ZINC001313805099 1071217981 /nfs/dbraw/zinc/21/79/81/1071217981.db2.gz NGCUHNRKCKKVNX-BLLLJJGKSA-N 1 1 491.356 3.676 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C ZINC001313805227 1071218859 /nfs/dbraw/zinc/21/88/59/1071218859.db2.gz IKBMMCSGHXTFMA-SFHVURJKSA-N 1 1 481.732 3.875 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccnn2)CC1)C(C)C ZINC001313805575 1071220533 /nfs/dbraw/zinc/22/05/33/1071220533.db2.gz LKDKMHNWRDGUQG-UHFFFAOYSA-N 1 1 499.461 3.555 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC001313805867 1071221910 /nfs/dbraw/zinc/22/19/10/1071221910.db2.gz VHXBTGRBMVYABJ-GSHUGGBRSA-N 1 1 495.466 3.539 20 0 JHADMO CC[N@@H+](CCn1c(C(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)CCC(F)(F)F ZINC001313806129 1071222929 /nfs/dbraw/zinc/22/29/29/1071222929.db2.gz PIPDZAMZQSUYJJ-GOSISDBHSA-N 1 1 468.572 3.571 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnc(C)s1)C1CC1 ZINC001313806350 1071223635 /nfs/dbraw/zinc/22/36/35/1071223635.db2.gz YRLWNDCOQZQTDH-UHFFFAOYSA-N 1 1 464.437 3.921 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001313806187 1071223694 /nfs/dbraw/zinc/22/36/94/1071223694.db2.gz VYPDUAQDKKAMOP-LJQANCHMSA-N 1 1 493.494 3.908 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1F)CCC(F)(F)F ZINC001313806393 1071224449 /nfs/dbraw/zinc/22/44/49/1071224449.db2.gz VQQCICMAYOEXLT-UHFFFAOYSA-N 1 1 470.515 3.564 20 0 JHADMO CC[C@H](CNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC001310234530 1071226418 /nfs/dbraw/zinc/22/64/18/1071226418.db2.gz RUUJBTBWESQIBD-OAQYLSRUSA-N 1 1 452.580 3.840 20 0 JHADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001314852580 1071227319 /nfs/dbraw/zinc/22/73/19/1071227319.db2.gz GZIGNLJUOWPJQH-NRFANRHFSA-N 1 1 471.627 3.636 20 0 JHADMO CCN(CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001313807332 1071227886 /nfs/dbraw/zinc/22/78/86/1071227886.db2.gz KJABMBWOXPODRV-GGAORHGYSA-N 1 1 498.672 3.667 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001313807716 1071229558 /nfs/dbraw/zinc/22/95/58/1071229558.db2.gz WHLGCJNNHPMEPI-PGRDOPGGSA-N 1 1 467.536 3.604 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1)C(C)C ZINC001313808001 1071230840 /nfs/dbraw/zinc/23/08/40/1071230840.db2.gz HLQNUCQTXXZLJY-JOCHJYFZSA-N 1 1 456.635 3.625 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC)C1)C(C)C ZINC001313809077 1071235464 /nfs/dbraw/zinc/23/54/64/1071235464.db2.gz MEVUXZJHBKACMB-KRWDZBQOSA-N 1 1 456.418 3.834 20 0 JHADMO C[N@@H+](CCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314853955 1071232750 /nfs/dbraw/zinc/23/27/50/1071232750.db2.gz IGFKAWDYOSUYBJ-FCHUYYIVSA-N 1 1 484.645 3.755 20 0 JHADMO CCN(CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001313808294 1071232788 /nfs/dbraw/zinc/23/27/88/1071232788.db2.gz MTIDWXFJGBJJAX-LJQANCHMSA-N 1 1 472.634 3.741 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001313809011 1071235018 /nfs/dbraw/zinc/23/50/18/1071235018.db2.gz KZGBVHMYPRXHMP-INIZCTEOSA-N 1 1 484.954 3.588 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001313809030 1071235277 /nfs/dbraw/zinc/23/52/77/1071235277.db2.gz GFIIFFXULHMOJI-FQEVSTJZSA-N 1 1 457.623 3.564 20 0 JHADMO CC[N@@H+](CCn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C(C)C ZINC001313809790 1071238605 /nfs/dbraw/zinc/23/86/05/1071238605.db2.gz NIYCSKHHQFDWAG-UHFFFAOYSA-N 1 1 460.026 3.789 20 0 JHADMO CC[N@@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313810342 1071241186 /nfs/dbraw/zinc/24/11/86/1071241186.db2.gz JIGVBSGFPVPQBC-QGZVFWFLSA-N 1 1 464.536 3.936 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCSC2(CCOCC2)C1)CCC(F)(F)F ZINC001313810207 1071240497 /nfs/dbraw/zinc/24/04/97/1071240497.db2.gz MGPLJHYTZBQMOM-UHFFFAOYSA-N 1 1 484.592 3.717 20 0 JHADMO C[C@H]1C[C@H](NC(=O)Nc2cc(I)ccc2Br)CC[N@H+]1C ZINC001310254348 1071240973 /nfs/dbraw/zinc/24/09/73/1071240973.db2.gz CUEOLZOUFMSMFK-GXSJLCMTSA-N 1 1 452.134 3.658 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001313809410 1071236926 /nfs/dbraw/zinc/23/69/26/1071236926.db2.gz XSEPQBOPHUVIMD-CRAIPNDOSA-N 1 1 484.954 3.588 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2CCCO2)CC1)CCC(F)(F)F ZINC001313810518 1071241784 /nfs/dbraw/zinc/24/17/84/1071241784.db2.gz LOKBENXBLQWENN-LJQANCHMSA-N 1 1 454.541 3.943 20 0 JHADMO CC[N@@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313810871 1071242893 /nfs/dbraw/zinc/24/28/93/1071242893.db2.gz NQQOAHUXTNVRHO-SZPZYZBQSA-N 1 1 481.689 3.713 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1)C(C)C ZINC001313810852 1071243771 /nfs/dbraw/zinc/24/37/71/1071243771.db2.gz OEBFCOIQRZJVAY-UHFFFAOYSA-N 1 1 496.656 3.645 20 0 JHADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CCCCC1 ZINC001314858999 1071246916 /nfs/dbraw/zinc/24/69/16/1071246916.db2.gz UOCMAKYJYASCQP-QHCPKHFHSA-N 1 1 489.462 3.674 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)C(C)C ZINC001313812257 1071250152 /nfs/dbraw/zinc/25/01/52/1071250152.db2.gz UQZBMABVMLEJAB-FQEVSTJZSA-N 1 1 472.041 3.774 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1)CCC(F)(F)F ZINC001313812235 1071250238 /nfs/dbraw/zinc/25/02/38/1071250238.db2.gz UCQQOFPWBFCACK-KRWDZBQOSA-N 1 1 485.551 3.852 20 0 JHADMO CC[N@@H+](CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1)C(C)C ZINC001313812377 1071250268 /nfs/dbraw/zinc/25/02/68/1071250268.db2.gz GZYCYEMFPXVFME-UHFFFAOYSA-N 1 1 451.619 3.639 20 0 JHADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCOC2(C1)CCCCCC2)CCC(F)(F)F ZINC001313812702 1071251495 /nfs/dbraw/zinc/25/14/95/1071251495.db2.gz NMLLXZBOMHGXGY-UHFFFAOYSA-N 1 1 481.567 3.939 20 0 JHADMO C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001314859011 1071247084 /nfs/dbraw/zinc/24/70/84/1071247084.db2.gz UWDYBYVOPLZOJX-IBGZPJMESA-N 1 1 487.530 3.836 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1)C1CC1 ZINC001313812055 1071248694 /nfs/dbraw/zinc/24/86/94/1071248694.db2.gz QLZXJVKWHYNZEZ-CRAIPNDOSA-N 1 1 496.425 3.571 20 0 JHADMO CC(C)[C@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC001310263792 1071249100 /nfs/dbraw/zinc/24/91/00/1071249100.db2.gz TZDNSXVWGATCJT-DEOSSOPVSA-N 1 1 455.578 3.555 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C(C)C ZINC001313812115 1071249495 /nfs/dbraw/zinc/24/94/95/1071249495.db2.gz BGYPJHWEOLYXNP-QFIPXVFZSA-N 1 1 494.619 3.918 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1)C(C)C ZINC001313814306 1071257720 /nfs/dbraw/zinc/25/77/20/1071257720.db2.gz KBAXRHSFQHFXGP-JOCHJYFZSA-N 1 1 487.714 3.777 20 0 JHADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313815086 1071259779 /nfs/dbraw/zinc/25/97/79/1071259779.db2.gz MFZUDHXZQVUMQQ-QGZVFWFLSA-N 1 1 455.529 3.895 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)C1CC1 ZINC001313815167 1071260739 /nfs/dbraw/zinc/26/07/39/1071260739.db2.gz TUWYCJKWRQUHKG-FQEVSTJZSA-N 1 1 483.661 3.908 20 0 JHADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)C(C)C ZINC001313817336 1071265208 /nfs/dbraw/zinc/26/52/08/1071265208.db2.gz SDFMRJUELGGAOS-NRFANRHFSA-N 1 1 456.664 3.711 20 0 JHADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1)C(C)C ZINC001313817300 1071265321 /nfs/dbraw/zinc/26/53/21/1071265321.db2.gz QXLAQMOXPYMRQR-NRFANRHFSA-N 1 1 495.697 3.853 20 0 JHADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 ZINC001310282798 1071267897 /nfs/dbraw/zinc/26/78/97/1071267897.db2.gz SNVCSPOBOLJMJC-LJQANCHMSA-N 1 1 450.461 3.800 20 0 JHADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)Cc1ccccc1 ZINC001314866808 1071271695 /nfs/dbraw/zinc/27/16/95/1071271695.db2.gz CFRZTBNTRIDMQS-DNQXCXABSA-N 1 1 477.657 3.798 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)C(C)C ZINC001313819098 1071272434 /nfs/dbraw/zinc/27/24/34/1071272434.db2.gz WPCIWVRSACYVLF-FQEVSTJZSA-N 1 1 474.009 3.522 20 0 JHADMO CN(CCn1cccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](C)C1CCCCC1 ZINC001314869255 1071278764 /nfs/dbraw/zinc/27/87/64/1071278764.db2.gz FLOAUSIIGJLBIN-UHFFFAOYSA-N 1 1 457.573 3.745 20 0 JHADMO CC[N@@H+](CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C(C)C ZINC001313820083 1071276176 /nfs/dbraw/zinc/27/61/76/1071276176.db2.gz SZOBFKGWYPOASL-QHCPKHFHSA-N 1 1 468.690 3.925 20 0 JHADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001313820054 1071276206 /nfs/dbraw/zinc/27/62/06/1071276206.db2.gz SLUQTYGDWAFDHE-PMACEKPBSA-N 1 1 473.584 3.669 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C)C1CC1 ZINC001313820153 1071276373 /nfs/dbraw/zinc/27/63/73/1071276373.db2.gz KLGXICCWQACOQJ-NRFANRHFSA-N 1 1 482.673 3.830 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001314870567 1071280696 /nfs/dbraw/zinc/28/06/96/1071280696.db2.gz DTCIPTWTULYBGA-UHFFFAOYSA-N 1 1 469.659 3.689 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001314870567 1071280709 /nfs/dbraw/zinc/28/07/09/1071280709.db2.gz DTCIPTWTULYBGA-UHFFFAOYSA-N 1 1 469.659 3.689 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC2(C1)CCOCC2)C(C)C ZINC001313822201 1071285360 /nfs/dbraw/zinc/28/53/60/1071285360.db2.gz NQKPENSERKTSER-OYRHEFFESA-N 1 1 490.693 3.786 20 0 JHADMO CC[N@@H+](CCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001313822366 1071285463 /nfs/dbraw/zinc/28/54/63/1071285463.db2.gz PMJAPPJPFJCRIW-UHFFFAOYSA-N 1 1 458.676 3.668 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314870822 1071281959 /nfs/dbraw/zinc/28/19/59/1071281959.db2.gz GVUKUTPWLFLVTQ-UHFFFAOYSA-N 1 1 492.546 3.619 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001314870822 1071281967 /nfs/dbraw/zinc/28/19/67/1071281967.db2.gz GVUKUTPWLFLVTQ-UHFFFAOYSA-N 1 1 492.546 3.619 20 0 JHADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)C(C)C ZINC001313821364 1071282126 /nfs/dbraw/zinc/28/21/26/1071282126.db2.gz CDGXLIASRQTHQM-HSZRJFAPSA-N 1 1 467.666 3.525 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)C(C)C ZINC001313821437 1071282168 /nfs/dbraw/zinc/28/21/68/1071282168.db2.gz XAZLVCXWOCLTFT-CPJSRVTESA-N 1 1 459.610 3.513 20 0 JHADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 ZINC001310300844 1071283682 /nfs/dbraw/zinc/28/36/82/1071283682.db2.gz HOPPMZGSJLAKDG-KRWDZBQOSA-N 1 1 451.539 3.744 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC001313821855 1071284044 /nfs/dbraw/zinc/28/40/44/1071284044.db2.gz GXKDARDEZRBGGX-HXUWFJFHSA-N 1 1 467.536 3.726 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCc1csc(C(C)(C)C)n1 ZINC001314872868 1071288714 /nfs/dbraw/zinc/28/87/14/1071288714.db2.gz QVJSSZNPCNGLQJ-UHFFFAOYSA-N 1 1 497.713 3.808 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCc1csc(C(C)(C)C)n1 ZINC001314872868 1071288719 /nfs/dbraw/zinc/28/87/19/1071288719.db2.gz QVJSSZNPCNGLQJ-UHFFFAOYSA-N 1 1 497.713 3.808 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001314873024 1071288750 /nfs/dbraw/zinc/28/87/50/1071288750.db2.gz SBHFPHZBLHBGNQ-UHFFFAOYSA-N 1 1 498.594 3.907 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001314873024 1071288754 /nfs/dbraw/zinc/28/87/54/1071288754.db2.gz SBHFPHZBLHBGNQ-UHFFFAOYSA-N 1 1 498.594 3.907 20 0 JHADMO 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CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001313886764 1071471431 /nfs/dbraw/zinc/47/14/31/1071471431.db2.gz QSGXWXVQDACLKW-OAHLLOKOSA-N 1 1 453.484 3.774 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(CCCCO)C2CC2)C1 ZINC001313887886 1071475174 /nfs/dbraw/zinc/47/51/74/1071475174.db2.gz YKGQHYVKFFNXPS-MRXNPFEDSA-N 1 1 480.426 3.930 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313888034 1071475142 /nfs/dbraw/zinc/47/51/42/1071475142.db2.gz FXKXLRRSESCZGF-LSDHHAIUSA-N 1 1 482.448 3.500 20 0 JHADMO 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 1071475654 /nfs/dbraw/zinc/47/56/54/1071475654.db2.gz AQNZNMOHXFFOKJ-CDNPAEQRSA-N 1 1 482.673 3.675 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313888220 1071475830 /nfs/dbraw/zinc/47/58/30/1071475830.db2.gz AEFIUIWREUYGQI-XPNTWCBSSA-N 1 1 455.647 3.838 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001313900600 1071509493 /nfs/dbraw/zinc/50/94/93/1071509493.db2.gz QKLIEKWXYMGHAY-NJDAHSKKSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313900190 1071509562 /nfs/dbraw/zinc/50/95/62/1071509562.db2.gz MICKSFVSXXQYIM-JTHBVZDNSA-N 1 1 496.700 3.741 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313901343 1071510926 /nfs/dbraw/zinc/51/09/26/1071510926.db2.gz WGGMWPUAOUGYJC-JOCHJYFZSA-N 1 1 452.647 3.704 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313901284 1071511148 /nfs/dbraw/zinc/51/11/48/1071511148.db2.gz FQWATBIDMZCWRN-WOJBJXKFSA-N 1 1 456.610 3.557 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001313901344 1071511166 /nfs/dbraw/zinc/51/11/66/1071511166.db2.gz WGGMWPUAOUGYJC-QFIPXVFZSA-N 1 1 452.647 3.704 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313901696 1071511613 /nfs/dbraw/zinc/51/16/13/1071511613.db2.gz SRRBHLULGDVMOE-RBBKRZOGSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901605 1071511758 /nfs/dbraw/zinc/51/17/58/1071511758.db2.gz YJZPXZRAFVWIAE-ROUUACIJSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313901609 1071511917 /nfs/dbraw/zinc/51/19/17/1071511917.db2.gz SGBHHZHHGKYMPI-HNNXBMFYSA-N 1 1 473.490 3.525 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313901797 1071512680 /nfs/dbraw/zinc/51/26/80/1071512680.db2.gz HBMBXPTYBIIXTF-CTNGQTDRSA-N 1 1 485.677 3.898 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313903068 1071514734 /nfs/dbraw/zinc/51/47/34/1071514734.db2.gz BLVGQLVZXMPKON-KBMIEXCESA-N 1 1 473.618 3.588 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313903877 1071516800 /nfs/dbraw/zinc/51/68/00/1071516800.db2.gz FKKSNTUAKQIXLB-DENIHFKCSA-N 1 1 486.636 3.784 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314999428 1071520256 /nfs/dbraw/zinc/52/02/56/1071520256.db2.gz BDTZRDBEIQYHKD-BGYRXZFFSA-N 1 1 470.637 3.805 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 ZINC001313904201 1071517327 /nfs/dbraw/zinc/51/73/27/1071517327.db2.gz QFKMTGBABBATGZ-PZJWPPBQSA-N 1 1 462.038 3.961 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314998879 1071519226 /nfs/dbraw/zinc/51/92/26/1071519226.db2.gz XJIUFQCCCJDRMF-LADGPHEKSA-N 1 1 466.674 3.680 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313904950 1071519808 /nfs/dbraw/zinc/51/98/08/1071519808.db2.gz KHIKEOKRDXSDAC-WEYGHZABSA-N 1 1 478.037 3.785 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313906630 1071524942 /nfs/dbraw/zinc/52/49/42/1071524942.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313906630 1071524950 /nfs/dbraw/zinc/52/49/50/1071524950.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906785 1071525906 /nfs/dbraw/zinc/52/59/06/1071525906.db2.gz ZZMKKTZCUYEZGG-GOSISDBHSA-N 1 1 478.588 3.772 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907157 1071526641 /nfs/dbraw/zinc/52/66/41/1071526641.db2.gz YREPQKFAYWOOET-VGOFRKELSA-N 1 1 496.450 3.795 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313907577 1071528163 /nfs/dbraw/zinc/52/81/63/1071528163.db2.gz IIGXHTBQIYPSTO-SIKLNZKXSA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908209 1071529560 /nfs/dbraw/zinc/52/95/60/1071529560.db2.gz BLVSRNBTDSNQCE-QUCCMNQESA-N 1 1 470.643 3.749 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313908382 1071530230 /nfs/dbraw/zinc/53/02/30/1071530230.db2.gz NFCYCYSXSYOGOZ-OAQYLSRUSA-N 1 1 481.645 3.823 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909203 1071531642 /nfs/dbraw/zinc/53/16/42/1071531642.db2.gz CFTCKHXCCZQPAF-LEWJYISDSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001313910041 1071533745 /nfs/dbraw/zinc/53/37/45/1071533745.db2.gz UNFZZMQZIKRWPC-RTWAWAEBSA-N 1 1 491.727 3.945 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313910821 1071536575 /nfs/dbraw/zinc/53/65/75/1071536575.db2.gz HNOVPCCEPMKGKB-FCHUYYIVSA-N 1 1 470.637 3.623 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313910820 1071536596 /nfs/dbraw/zinc/53/65/96/1071536596.db2.gz HNBYUAFBMOTZEG-PWRODBHTSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313910526 1071534500 /nfs/dbraw/zinc/53/45/00/1071534500.db2.gz VXBZONAGTAWFJH-QGZVFWFLSA-N 1 1 491.999 3.820 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313910833 1071537117 /nfs/dbraw/zinc/53/71/17/1071537117.db2.gz ZQRMPFWKFIJEBO-ISKFKSNPSA-N 1 1 466.674 3.631 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F ZINC001313910858 1071537188 /nfs/dbraw/zinc/53/71/88/1071537188.db2.gz ZVJPWFGMSSUQOX-LJQANCHMSA-N 1 1 470.618 3.920 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911169 1071537578 /nfs/dbraw/zinc/53/75/78/1071537578.db2.gz IJVMZMRTBKYZDN-JOCHJYFZSA-N 1 1 473.065 3.879 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912109 1071538315 /nfs/dbraw/zinc/53/83/15/1071538315.db2.gz MMKORZHCSVHQTG-FCHUYYIVSA-N 1 1 468.646 3.657 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313911922 1071538390 /nfs/dbraw/zinc/53/83/90/1071538390.db2.gz SPBREKSJBXITGJ-QFIPXVFZSA-N 1 1 483.661 3.828 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001315018325 1071538650 /nfs/dbraw/zinc/53/86/50/1071538650.db2.gz ZEJKUOXYFLNCNU-FQEVSTJZSA-N 1 1 461.054 3.884 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313914451 1071547314 /nfs/dbraw/zinc/54/73/14/1071547314.db2.gz NFKOCSNZYJEFQA-NLFFAJNJSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 ZINC001313914438 1071547342 /nfs/dbraw/zinc/54/73/42/1071547342.db2.gz NBQVWFVTJSBBOZ-HSZRJFAPSA-N 1 1 463.630 3.817 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313913317 1071542795 /nfs/dbraw/zinc/54/27/95/1071542795.db2.gz XBAFDCOZRXXXJZ-CTNGQTDRSA-N 1 1 469.634 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313913367 1071542836 /nfs/dbraw/zinc/54/28/36/1071542836.db2.gz XUNAGAYIMACXLU-PMACEKPBSA-N 1 1 469.634 3.708 20 0 JHADMO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548560 /nfs/dbraw/zinc/54/85/60/1071548560.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 1 1 470.710 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548565 /nfs/dbraw/zinc/54/85/65/1071548565.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 1 1 470.710 3.604 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001315027079 1071553334 /nfs/dbraw/zinc/55/33/34/1071553334.db2.gz PJBGTTIPYMIHQD-HNNXBMFYSA-N 1 1 476.412 3.988 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313915773 1071550866 /nfs/dbraw/zinc/55/08/66/1071550866.db2.gz LGSZKGONPFCJTN-BGYRXZFFSA-N 1 1 470.637 3.899 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001313916008 1071552118 /nfs/dbraw/zinc/55/21/18/1071552118.db2.gz QLGWGXSXBOUPKT-QFIPXVFZSA-N 1 1 452.647 3.680 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919424 1071556778 /nfs/dbraw/zinc/55/67/78/1071556778.db2.gz BGSACBKQZRCZKM-SFHVURJKSA-N 1 1 475.479 3.970 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001315029081 1071557479 /nfs/dbraw/zinc/55/74/79/1071557479.db2.gz QESMVMXWXHQZPK-HXUWFJFHSA-N 1 1 489.462 3.687 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001315030121 1071558822 /nfs/dbraw/zinc/55/88/22/1071558822.db2.gz QIAAVKFQYBZPHY-JOCHJYFZSA-N 1 1 470.637 3.768 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921859 1071562606 /nfs/dbraw/zinc/56/26/06/1071562606.db2.gz TWYKYMCHMFJLRE-DENIHFKCSA-N 1 1 461.054 3.659 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921922 1071563279 /nfs/dbraw/zinc/56/32/79/1071563279.db2.gz UGVWSHNSAHLGHW-QGZVFWFLSA-N 1 1 497.432 3.887 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001315032386 1071563347 /nfs/dbraw/zinc/56/33/47/1071563347.db2.gz DPBCQWVKCTWZFV-UHFFFAOYSA-N 1 1 480.682 3.935 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313922288 1071563594 /nfs/dbraw/zinc/56/35/94/1071563594.db2.gz UXPLUNRFYNQHDD-OAHLLOKOSA-N 1 1 470.506 3.749 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@H](C)c3c(C)noc3C)CC2)CC1 ZINC001313922499 1071565031 /nfs/dbraw/zinc/56/50/31/1071565031.db2.gz FUVPXCFBAVNADQ-IBGZPJMESA-N 1 1 485.677 3.581 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCC4)n3C[C@](C)(O)CCC(C)C)CC2)CC1 ZINC001313923423 1071566779 /nfs/dbraw/zinc/56/67/79/1071566779.db2.gz LOPWYHODZFNJMJ-HHHXNRCGSA-N 1 1 488.721 3.503 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccc4C)n3C[C@@H](C)SC)CC2)CC1 ZINC001313923466 1071566812 /nfs/dbraw/zinc/56/68/12/1071566812.db2.gz MVEIGCDEVTUXLL-JOCHJYFZSA-N 1 1 498.741 3.699 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[C@@H]3C)CC2)CC1 ZINC001313923819 1071567953 /nfs/dbraw/zinc/56/79/53/1071567953.db2.gz UQQWWJCTKJHEKN-RBBKRZOGSA-N 1 1 458.695 3.782 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924071 1071568892 /nfs/dbraw/zinc/56/88/92/1071568892.db2.gz YDTLWZSSYHHSLQ-LEWJYISDSA-N 1 1 483.661 3.582 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925239 1071572729 /nfs/dbraw/zinc/57/27/29/1071572729.db2.gz NVTZWLMVEOJQDX-UMFSSWHCSA-N 1 1 498.716 3.603 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925425 1071574053 /nfs/dbraw/zinc/57/40/53/1071574053.db2.gz QCGLDSOFDCMISZ-KRWDZBQOSA-N 1 1 490.002 3.934 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313925503 1071574173 /nfs/dbraw/zinc/57/41/73/1071574173.db2.gz RXUHUTNFZFVTQM-NBGIEHNGSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925504 1071574192 /nfs/dbraw/zinc/57/41/92/1071574192.db2.gz RXUHUTNFZFVTQM-NLFFAJNJSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926313 1071576276 /nfs/dbraw/zinc/57/62/76/1071576276.db2.gz XBONBKPBNJNLFS-NRFANRHFSA-N 1 1 468.646 3.533 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927051 1071578664 /nfs/dbraw/zinc/57/86/64/1071578664.db2.gz ZCRAWWOCCROSFV-LEWJYISDSA-N 1 1 494.606 3.827 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927603 1071580813 /nfs/dbraw/zinc/58/08/13/1071580813.db2.gz KQTFLJCCFVLEDR-IDISGSTGSA-N 1 1 486.680 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313928010 1071582427 /nfs/dbraw/zinc/58/24/27/1071582427.db2.gz MVZAQPSAUHJTGI-ZCYQVOJMSA-N 1 1 498.716 3.710 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@H]1C ZINC001313928304 1071583308 /nfs/dbraw/zinc/58/33/08/1071583308.db2.gz ACUYTIPKMSSCJH-RTBURBONSA-N 1 1 477.053 3.743 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313928675 1071584713 /nfs/dbraw/zinc/58/47/13/1071584713.db2.gz CGQIAZKQEKUAPV-PMACEKPBSA-N 1 1 467.593 3.985 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313928962 1071585194 /nfs/dbraw/zinc/58/51/94/1071585194.db2.gz DXXZSMOLKRWRFD-UXHICEINSA-N 1 1 491.080 3.713 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313929712 1071587316 /nfs/dbraw/zinc/58/73/16/1071587316.db2.gz UEBJOTBFESTKHK-QFIPXVFZSA-N 1 1 479.648 3.844 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930236 1071588882 /nfs/dbraw/zinc/58/88/82/1071588882.db2.gz AKYMXNWNPQBOPB-LAUBAEHRSA-N 1 1 486.462 3.869 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@H]1C ZINC001313930391 1071589653 /nfs/dbraw/zinc/58/96/53/1071589653.db2.gz MFLKLTAJUYYSJY-MOPGFXCFSA-N 1 1 458.010 3.889 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313930927 1071591086 /nfs/dbraw/zinc/59/10/86/1071591086.db2.gz OHIDDHAUIJVCPS-MOPGFXCFSA-N 1 1 467.593 3.597 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594208 /nfs/dbraw/zinc/59/42/08/1071594208.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 1 1 478.483 3.687 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594216 /nfs/dbraw/zinc/59/42/16/1071594216.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 1 1 478.483 3.687 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313932772 1071596201 /nfs/dbraw/zinc/59/62/01/1071596201.db2.gz XGQMLGMGLKURNQ-SVFBPWRDSA-N 1 1 478.037 3.634 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313933721 1071599000 /nfs/dbraw/zinc/59/90/00/1071599000.db2.gz NCAYDAQFENJRON-INIZCTEOSA-N 1 1 488.539 3.537 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313933879 1071599791 /nfs/dbraw/zinc/59/97/91/1071599791.db2.gz OBQLTFMNJGDHJW-KRWDZBQOSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313935462 1071606140 /nfs/dbraw/zinc/60/61/40/1071606140.db2.gz WYYMLHSSAZQIKA-ZHRRBRCNSA-N 1 1 479.467 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313935670 1071606538 /nfs/dbraw/zinc/60/65/38/1071606538.db2.gz YPCWSYPHXWVAAI-IBGZPJMESA-N 1 1 452.628 3.982 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC001313936545 1071608535 /nfs/dbraw/zinc/60/85/35/1071608535.db2.gz PYVJIKQLBZWQKV-NQIIRXRSSA-N 1 1 455.006 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313936654 1071609045 /nfs/dbraw/zinc/60/90/45/1071609045.db2.gz HJOOMXFDFYSLTP-CTNGQTDRSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)C[C@H]1C ZINC001313937449 1071610141 /nfs/dbraw/zinc/61/01/41/1071610141.db2.gz ULJPUIWKPJXJSA-SZNDQCEHSA-N 1 1 466.399 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001313937494 1071611361 /nfs/dbraw/zinc/61/13/61/1071611361.db2.gz VKNPXMNGDMVXJR-INIZCTEOSA-N 1 1 470.643 3.809 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313937490 1071611497 /nfs/dbraw/zinc/61/14/97/1071611497.db2.gz VIBOHNZSWJHKCO-MOPGFXCFSA-N 1 1 472.634 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313941173 1071616112 /nfs/dbraw/zinc/61/61/12/1071616112.db2.gz ACJDBQNIONMFRD-UGKGYDQZSA-N 1 1 472.037 3.711 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cccc2SC)C[C@@H]1C ZINC001313941421 1071617147 /nfs/dbraw/zinc/61/71/47/1071617147.db2.gz CRBQPTVHQQJYSR-SFHVURJKSA-N 1 1 457.623 3.579 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313941308 1071617157 /nfs/dbraw/zinc/61/71/57/1071617157.db2.gz BDYICUVZIIYRLX-QGZVFWFLSA-N 1 1 473.046 3.696 20 0 JHADMO CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941474 1071617423 /nfs/dbraw/zinc/61/74/23/1071617423.db2.gz UYMNSUXKJISSAI-PKTZIBPZSA-N 1 1 468.690 3.867 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618950 /nfs/dbraw/zinc/61/89/50/1071618950.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618952 /nfs/dbraw/zinc/61/89/52/1071618952.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 1 1 484.689 3.504 20 0 JHADMO 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 1071619632 /nfs/dbraw/zinc/61/96/32/1071619632.db2.gz DIBPEEDZLWFJIS-PCCBWWKXSA-N 1 1 478.682 3.642 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942642 1071620756 /nfs/dbraw/zinc/62/07/56/1071620756.db2.gz JOABDOGGDOEKID-GGAORHGYSA-N 1 1 498.716 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(C)C)C[C@H]1C ZINC001313942542 1071620859 /nfs/dbraw/zinc/62/08/59/1071620859.db2.gz JRGSWPLPTLQMDF-JOCHJYFZSA-N 1 1 465.646 3.753 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945534 1071626711 /nfs/dbraw/zinc/62/67/11/1071626711.db2.gz IYOAPJPEWHTTPR-OALUTQOASA-N 1 1 474.625 3.699 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C[C@@H]1C ZINC001313944001 1071624372 /nfs/dbraw/zinc/62/43/72/1071624372.db2.gz XXYQJJYFLCTOPK-QHCPKHFHSA-N 1 1 482.673 3.797 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944930 1071625552 /nfs/dbraw/zinc/62/55/52/1071625552.db2.gz JRCDWOLXQAZITF-TZIWHRDSSA-N 1 1 460.692 3.840 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)CCOC)C2)CC1 ZINC001313944909 1071625706 /nfs/dbraw/zinc/62/57/06/1071625706.db2.gz IUMJRXDBLDCRAS-QFIPXVFZSA-N 1 1 454.663 3.532 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946873 1071630446 /nfs/dbraw/zinc/63/04/46/1071630446.db2.gz DQHAPBLQHZYMNZ-FKBYEOEOSA-N 1 1 489.709 3.612 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001313947985 1071632202 /nfs/dbraw/zinc/63/22/02/1071632202.db2.gz IXJAEMTYTJWXBS-QGZVFWFLSA-N 1 1 498.118 3.579 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313950382 1071638008 /nfs/dbraw/zinc/63/80/08/1071638008.db2.gz PAXYZYZGWUKHHM-OTWHNJEPSA-N 1 1 492.510 3.792 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001313950773 1071640025 /nfs/dbraw/zinc/64/00/25/1071640025.db2.gz WXIQNMOHCJDOLV-SFHVURJKSA-N 1 1 470.021 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951259 1071641162 /nfs/dbraw/zinc/64/11/62/1071641162.db2.gz SIDHQLVQPGYLBL-QPPBQGQZSA-N 1 1 486.730 3.949 20 0 JHADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313951430 1071642322 /nfs/dbraw/zinc/64/23/22/1071642322.db2.gz UEFFYNVCVGYJAJ-SFHVURJKSA-N 1 1 493.494 3.836 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313952372 1071645342 /nfs/dbraw/zinc/64/53/42/1071645342.db2.gz PHWPJATVAZCPAX-JOCHJYFZSA-N 1 1 471.669 3.673 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952009 1071643556 /nfs/dbraw/zinc/64/35/56/1071643556.db2.gz CLROHMJGGDFISJ-OAQYLSRUSA-N 1 1 454.663 3.854 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313952336 1071644799 /nfs/dbraw/zinc/64/47/99/1071644799.db2.gz ZCTKYJFILHNHTA-HBMCJLEFSA-N 1 1 491.080 3.570 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313952408 1071645789 /nfs/dbraw/zinc/64/57/89/1071645789.db2.gz FJYQLQBFKXIOKL-LJQANCHMSA-N 1 1 483.611 3.837 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001313953732 1071649575 /nfs/dbraw/zinc/64/95/75/1071649575.db2.gz JAOHXGZSSDFVFY-HSZRJFAPSA-N 1 1 476.616 3.852 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001313953762 1071649997 /nfs/dbraw/zinc/64/99/97/1071649997.db2.gz KSZZRFUGWYPXCD-SXWKCWPCSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313954121 1071650539 /nfs/dbraw/zinc/65/05/39/1071650539.db2.gz APPWQDLYRAEQAU-YADHBBJMSA-N 1 1 479.648 3.874 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954190 1071650735 /nfs/dbraw/zinc/65/07/35/1071650735.db2.gz AVVJUEYMINPKSB-OAQYLSRUSA-N 1 1 450.631 3.680 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955201 1071652850 /nfs/dbraw/zinc/65/28/50/1071652850.db2.gz QJNAHHRLOFCNST-NZQKXSOJSA-N 1 1 472.653 3.609 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955092 1071654305 /nfs/dbraw/zinc/65/43/05/1071654305.db2.gz FFGXHXSDHRFONG-QHCPKHFHSA-N 1 1 454.663 3.554 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(COC)CC2)CC1 ZINC001313955529 1071655524 /nfs/dbraw/zinc/65/55/24/1071655524.db2.gz SKFCVEWTRMHRAF-HXUWFJFHSA-N 1 1 475.081 3.735 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313955564 1071656103 /nfs/dbraw/zinc/65/61/03/1071656103.db2.gz WLEPHFVLPXPPFY-UHFFFAOYSA-N 1 1 481.611 3.870 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313958518 1071664156 /nfs/dbraw/zinc/66/41/56/1071664156.db2.gz TXLKQGMVYDGTBE-UZLBHIALSA-N 1 1 497.432 3.669 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958845 1071665239 /nfs/dbraw/zinc/66/52/39/1071665239.db2.gz YIHQRABJXGPRMC-SFTDATJTSA-N 1 1 467.687 3.796 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313959807 1071667573 /nfs/dbraw/zinc/66/75/73/1071667573.db2.gz ARNOVYHOJLRVJI-UHFFFAOYSA-N 1 1 498.569 3.803 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313958195 1071663091 /nfs/dbraw/zinc/66/30/91/1071663091.db2.gz PMWFPYJGNGBEHW-UHFFFAOYSA-N 1 1 468.646 3.535 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313960323 1071669951 /nfs/dbraw/zinc/66/99/51/1071669951.db2.gz IOHSKZJXXOEJQY-UHFFFAOYSA-N 1 1 498.473 3.767 20 0 JHADMO CCn1nc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001313966104 1071685248 /nfs/dbraw/zinc/68/52/48/1071685248.db2.gz HNHFICXRMKPJBC-FQEVSTJZSA-N 1 1 495.672 3.658 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313967906 1071690389 /nfs/dbraw/zinc/69/03/89/1071690389.db2.gz SPHYMUFOESCGRI-UHFFFAOYSA-N 1 1 477.657 3.966 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313968400 1071692193 /nfs/dbraw/zinc/69/21/93/1071692193.db2.gz ZXLIQGSYJODCMB-LJQANCHMSA-N 1 1 496.059 3.867 20 0 JHADMO 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CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001306317543 1068738189 /nfs/dbraw/zinc/73/81/89/1068738189.db2.gz KDYODLSQBUELRG-JOCHJYFZSA-N 1 1 468.646 3.561 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001306317641 1068738986 /nfs/dbraw/zinc/73/89/86/1068738986.db2.gz AUZCARMZKUBYEF-JOCHJYFZSA-N 1 1 472.678 3.906 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306318286 1068741259 /nfs/dbraw/zinc/74/12/59/1068741259.db2.gz FQWPUUYRQLITBX-FPOVZHCZSA-N 1 1 463.630 3.576 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306318372 1068741483 /nfs/dbraw/zinc/74/14/83/1068741483.db2.gz NMVYGBUVYIGHSS-UYAOXDASSA-N 1 1 489.462 3.674 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306318606 1068742627 /nfs/dbraw/zinc/74/26/27/1068742627.db2.gz PBBOMNSKXDCMNP-KNQAVFIVSA-N 1 1 489.064 3.741 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 ZINC001306319803 1068747464 /nfs/dbraw/zinc/74/74/64/1068747464.db2.gz XCMKLIWWYBSNTG-IBGZPJMESA-N 1 1 475.659 3.789 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306320844 1068749471 /nfs/dbraw/zinc/74/94/71/1068749471.db2.gz XTJWEXAMPDPYMQ-WMZOPIPTSA-N 1 1 463.001 3.704 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)noc1C ZINC001306321033 1068750378 /nfs/dbraw/zinc/75/03/78/1068750378.db2.gz ALQDQTXXEPULFF-OAQYLSRUSA-N 1 1 454.623 3.645 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321585 1068751526 /nfs/dbraw/zinc/75/15/26/1068751526.db2.gz FRSKVSRPCJNFFR-PKTZIBPZSA-N 1 1 473.687 3.514 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC2CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306321698 1068752462 /nfs/dbraw/zinc/75/24/62/1068752462.db2.gz ASANUVXAJYMGHT-OAQYLSRUSA-N 1 1 459.660 3.535 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001306322397 1068753207 /nfs/dbraw/zinc/75/32/07/1068753207.db2.gz JTZKXYPYNJXPAZ-ACIOBRDBSA-N 1 1 474.694 3.568 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306323862 1068757839 /nfs/dbraw/zinc/75/78/39/1068757839.db2.gz QQWNVAIEQUEOOU-URXFXBBRSA-N 1 1 481.689 3.982 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306323861 1068757930 /nfs/dbraw/zinc/75/79/30/1068757930.db2.gz QQWNVAIEQUEOOU-QPPBQGQZSA-N 1 1 481.689 3.982 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324034 1068758354 /nfs/dbraw/zinc/75/83/54/1068758354.db2.gz MZDCBTVTOBPAMF-RCZVLFRGSA-N 1 1 495.716 3.906 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306324066 1068758473 /nfs/dbraw/zinc/75/84/73/1068758473.db2.gz NDESSHUAELPOEH-LEWJYISDSA-N 1 1 488.627 3.764 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001306324127 1068759123 /nfs/dbraw/zinc/75/91/23/1068759123.db2.gz NWXWNHOUJMVMTI-BJKOFHAPSA-N 1 1 481.689 3.517 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001306325246 1068761775 /nfs/dbraw/zinc/76/17/75/1068761775.db2.gz UFGGLTXPLVORMJ-HSZRJFAPSA-N 1 1 484.737 3.804 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C ZINC001306325469 1068762588 /nfs/dbraw/zinc/76/25/88/1068762588.db2.gz YCUFGAGSEQSZDB-IFMALSPDSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306325743 1068763043 /nfs/dbraw/zinc/76/30/43/1068763043.db2.gz YUCRFUZBFOOVLQ-SLFFLAALSA-N 1 1 472.600 3.509 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306326522 1068764200 /nfs/dbraw/zinc/76/42/00/1068764200.db2.gz YXKZHURXOYKKQU-QFIPXVFZSA-N 1 1 469.609 3.939 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306326521 1068764326 /nfs/dbraw/zinc/76/43/26/1068764326.db2.gz YXKZHURXOYKKQU-JOCHJYFZSA-N 1 1 469.609 3.939 20 0 JHADMO CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306334554 1068772207 /nfs/dbraw/zinc/77/22/07/1068772207.db2.gz DHOIXJDLRHFFMZ-UPVQGACJSA-N 1 1 466.674 3.746 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001306351304 1068787327 /nfs/dbraw/zinc/78/73/27/1068787327.db2.gz LBDPKBUTBUJBPJ-CTNGQTDRSA-N 1 1 476.666 3.840 20 0 JHADMO CC[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306352184 1068788394 /nfs/dbraw/zinc/78/83/94/1068788394.db2.gz ZXTQOKUVHYVNNP-NRFANRHFSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001306352184 1068788406 /nfs/dbraw/zinc/78/84/06/1068788406.db2.gz ZXTQOKUVHYVNNP-NRFANRHFSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001306354881 1068789470 /nfs/dbraw/zinc/78/94/70/1068789470.db2.gz AXOPFGBHWIBTIR-UXHICEINSA-N 1 1 492.462 3.845 20 0 JHADMO CC[C@H]1CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001306358768 1068793753 /nfs/dbraw/zinc/79/37/53/1068793753.db2.gz XQVAWIJEZFMSDN-SFTDATJTSA-N 1 1 457.619 3.745 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001306360843 1068795929 /nfs/dbraw/zinc/79/59/29/1068795929.db2.gz FIQBNDJTTIYMRP-VQTJNVASSA-N 1 1 457.619 3.700 20 0 JHADMO CCC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001306368352 1068803743 /nfs/dbraw/zinc/80/37/43/1068803743.db2.gz VKCIVTMXCRZGJT-NRFANRHFSA-N 1 1 484.689 3.862 20 0 JHADMO CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001306372950 1068806170 /nfs/dbraw/zinc/80/61/70/1068806170.db2.gz GCRPDBONNQRTFP-OAQYLSRUSA-N 1 1 456.654 3.908 20 0 JHADMO CC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001306383841 1068816412 /nfs/dbraw/zinc/81/64/12/1068816412.db2.gz UZSJLWAWLOZCMT-DHIUTWEWSA-N 1 1 454.663 3.675 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2c(F)cccc2N2CCCC2)CC[N@H+]1CCOC ZINC001306386013 1068819644 /nfs/dbraw/zinc/81/96/44/1068819644.db2.gz DVVQBMDUTMIWTC-FQEVSTJZSA-N 1 1 458.626 3.736 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2c(F)cccc2N2CCCC2)CC[N@H+]1CCOC ZINC001306386015 1068819991 /nfs/dbraw/zinc/81/99/91/1068819991.db2.gz DVVQBMDUTMIWTC-HXUWFJFHSA-N 1 1 458.626 3.736 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cc(Br)ccc2OC)CC[N@H+]1CCOC ZINC001306389170 1068825719 /nfs/dbraw/zinc/82/57/19/1068825719.db2.gz YJGCFWQURBNHFM-LJQANCHMSA-N 1 1 480.451 3.768 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001306389650 1068826275 /nfs/dbraw/zinc/82/62/75/1068826275.db2.gz ZOASEUJLGOPWJI-QIJUGHKUSA-N 1 1 462.038 3.990 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC001306390394 1068827724 /nfs/dbraw/zinc/82/77/24/1068827724.db2.gz RPJWMIINQVTUDR-DNVJHFABSA-N 1 1 460.711 3.777 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001306391902 1068832702 /nfs/dbraw/zinc/83/27/02/1068832702.db2.gz YVNPCYYFDKZOII-AVRDEDQJSA-N 1 1 489.064 3.740 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001306394460 1068837763 /nfs/dbraw/zinc/83/77/63/1068837763.db2.gz LPRAFLPZDMKQFI-MZKRTTBSSA-N 1 1 489.636 3.777 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(C)C)CC[N@H+]1CCOC ZINC001306395330 1068839807 /nfs/dbraw/zinc/83/98/07/1068839807.db2.gz ADNRRIGQQZFZBH-OAQYLSRUSA-N 1 1 451.619 3.928 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](CC)C2CC2)C[C@@H](C)O1 ZINC001306397050 1068846228 /nfs/dbraw/zinc/84/62/28/1068846228.db2.gz LIVPQQLIBTVYHS-RHSMWYFYSA-N 1 1 451.413 3.524 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001306397262 1068847387 /nfs/dbraw/zinc/84/73/87/1068847387.db2.gz YPWMFOTVZZLSBI-PCCBWWKXSA-N 1 1 488.652 3.587 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)O1 ZINC001306400946 1068859911 /nfs/dbraw/zinc/85/99/11/1068859911.db2.gz PBCNBNFVRKYTCJ-BAMDZGJYSA-N 1 1 463.667 3.803 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCc2scnc2C)CC[N@H+]1CCOC ZINC001306402392 1068863512 /nfs/dbraw/zinc/86/35/12/1068863512.db2.gz RHSCYDPLXPQLSN-FQEVSTJZSA-N 1 1 470.643 3.508 20 0 JHADMO CC[C@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306402585 1068864628 /nfs/dbraw/zinc/86/46/28/1068864628.db2.gz XKDUXJIPUAEWPX-URXFXBBRSA-N 1 1 498.672 3.597 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001306403724 1068867759 /nfs/dbraw/zinc/86/77/59/1068867759.db2.gz WMKRWWXSPHILCP-UYAOXDASSA-N 1 1 463.573 3.936 20 0 JHADMO 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CC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001306410751 1068892812 /nfs/dbraw/zinc/89/28/12/1068892812.db2.gz SJYHOVOTXJUHMR-QGZVFWFLSA-N 1 1 498.441 3.555 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCn2cc(Cl)cn2)CC[N@H+]1CCOC ZINC001306412634 1068897817 /nfs/dbraw/zinc/89/78/17/1068897817.db2.gz JXHFLXFPXSWJJM-SFHVURJKSA-N 1 1 478.428 3.696 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)CCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306412689 1068898370 /nfs/dbraw/zinc/89/83/70/1068898370.db2.gz KLQUZNUFZMHWSZ-WIOYSNFSSA-N 1 1 473.637 3.818 20 0 JHADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306416221 1068904592 /nfs/dbraw/zinc/90/45/92/1068904592.db2.gz XOQOOBASWAEXKA-BBVKZKKFSA-N 1 1 476.065 3.943 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCCN2CC[NH+](CC)CC2)CCO1 ZINC001306416225 1068905361 /nfs/dbraw/zinc/90/53/61/1068905361.db2.gz XRPWCFFBGZLFHG-FQEVSTJZSA-N 1 1 461.054 3.631 20 0 JHADMO 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CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001306554908 1069221690 /nfs/dbraw/zinc/22/16/90/1069221690.db2.gz DZOBDCWXUQSVFT-PMVMPFDFSA-N 1 1 482.673 3.699 20 0 JHADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929683 1069225373 /nfs/dbraw/zinc/22/53/73/1069225373.db2.gz KXNGPWIJUBDNES-AVRWGWEMSA-N 1 1 455.603 3.592 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306558839 1069228714 /nfs/dbraw/zinc/22/87/14/1069228714.db2.gz RUHMTNDVFVWOJQ-SJORKVTESA-N 1 1 467.456 3.639 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306558839 1069228723 /nfs/dbraw/zinc/22/87/23/1069228723.db2.gz RUHMTNDVFVWOJQ-SJORKVTESA-N 1 1 467.456 3.639 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306558836 1069228824 /nfs/dbraw/zinc/22/88/24/1069228824.db2.gz RUHMTNDVFVWOJQ-DLBZAZTESA-N 1 1 467.456 3.639 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001306558836 1069228835 /nfs/dbraw/zinc/22/88/35/1069228835.db2.gz RUHMTNDVFVWOJQ-DLBZAZTESA-N 1 1 467.456 3.639 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306564883 1069233184 /nfs/dbraw/zinc/23/31/84/1069233184.db2.gz BXUJTJLRPITFAP-HXUWFJFHSA-N 1 1 463.630 3.591 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001306567631 1069235114 /nfs/dbraw/zinc/23/51/14/1069235114.db2.gz MVOUJVHPOZESAR-HKUYNNGSSA-N 1 1 461.680 3.656 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@H+]1CC ZINC001306567634 1069235141 /nfs/dbraw/zinc/23/51/41/1069235141.db2.gz MVOUJVHPOZESAR-IEBWSBKVSA-N 1 1 461.680 3.656 20 0 JHADMO 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 1069237539 /nfs/dbraw/zinc/23/75/39/1069237539.db2.gz RMOAEAZUXMSLBY-PCCBWWKXSA-N 1 1 495.672 3.564 20 0 JHADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306587905 1069255950 /nfs/dbraw/zinc/25/59/50/1069255950.db2.gz YRYXUYAXEKJRDB-KSEOMHKRSA-N 1 1 467.662 3.654 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001311162338 1069286735 /nfs/dbraw/zinc/28/67/35/1069286735.db2.gz CCLILSLCBCGINY-SIKLNZKXSA-N 1 1 457.619 3.740 20 0 JHADMO CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1(C)C ZINC001311164097 1069287108 /nfs/dbraw/zinc/28/71/08/1069287108.db2.gz TYFBWKQTBSQSOU-OAQYLSRUSA-N 1 1 457.619 3.834 20 0 JHADMO COc1cc([C@@H](C)NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc(OC)c1OC ZINC001311163782 1069287134 /nfs/dbraw/zinc/28/71/34/1069287134.db2.gz QBXIQXXGDORXMU-DYESRHJHSA-N 1 1 454.571 3.880 20 0 JHADMO O=C(NCCNc1cccc(Br)c1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001311164787 1069287705 /nfs/dbraw/zinc/28/77/05/1069287705.db2.gz ZADDLRVRVXPPMP-OAQYLSRUSA-N 1 1 458.404 3.967 20 0 JHADMO 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3.609 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843051 720542184 /nfs/dbraw/zinc/54/21/84/720542184.db2.gz ZOVZBUZWBURSPX-WCIQWLHISA-N 1 1 485.036 3.753 20 0 JHADMO 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 720601111 /nfs/dbraw/zinc/60/11/11/720601111.db2.gz MQZSRRCJEPVJGT-MSNJVRRCSA-N 1 1 450.631 3.528 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836198 720601449 /nfs/dbraw/zinc/60/14/49/720601449.db2.gz FGDWCTFJVSGMAH-MVERNJQCSA-N 1 1 470.621 3.859 20 0 JHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c(OC)c1 ZINC001164843262 720623948 /nfs/dbraw/zinc/62/39/48/720623948.db2.gz XGAVVEUWXVKWJR-DCLXLUIPSA-N 1 1 462.598 3.735 20 0 JHADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743199 720672300 /nfs/dbraw/zinc/67/23/00/720672300.db2.gz 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453.546 3.946 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)C2)cc1 ZINC001164847172 720773415 /nfs/dbraw/zinc/77/34/15/720773415.db2.gz LKHITWTXWRHDJR-RNJDCESWSA-N 1 1 471.605 3.773 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)C2)cc1 ZINC001164847172 720773421 /nfs/dbraw/zinc/77/34/21/720773421.db2.gz LKHITWTXWRHDJR-RNJDCESWSA-N 1 1 471.605 3.773 20 0 JHADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164750640 720803114 /nfs/dbraw/zinc/80/31/14/720803114.db2.gz WLMXNSOHTRFVAP-WBVHZDCISA-N 1 1 459.337 3.708 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164740913 720805781 /nfs/dbraw/zinc/80/57/81/720805781.db2.gz AXGDQYHJVZDZLT-ZWKOTPCHSA-N 1 1 472.927 3.782 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164740913 720805786 /nfs/dbraw/zinc/80/57/86/720805786.db2.gz AXGDQYHJVZDZLT-ZWKOTPCHSA-N 1 1 472.927 3.782 20 0 JHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742665 720817832 /nfs/dbraw/zinc/81/78/32/720817832.db2.gz QJOGRQDNTYMIMI-YRISNDGFSA-N 1 1 473.959 3.799 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745641 720830774 /nfs/dbraw/zinc/83/07/74/720830774.db2.gz XOLJOLNJCYQWPT-YPAWHYETSA-N 1 1 480.016 3.680 20 0 JHADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1C ZINC001164742508 720837096 /nfs/dbraw/zinc/83/70/96/720837096.db2.gz HCOMWHYKLFKCFY-WOIUINJBSA-N 1 1 452.006 3.871 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742433 720840595 /nfs/dbraw/zinc/84/05/95/720840595.db2.gz GKUTUVKXBXNFTJ-LLGFUMIMSA-N 1 1 489.958 3.679 20 0 JHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746569 720842217 /nfs/dbraw/zinc/84/22/17/720842217.db2.gz ORNKYQAKRJYGHF-RCCFBDPRSA-N 1 1 461.948 3.732 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747707 720846494 /nfs/dbraw/zinc/84/64/94/720846494.db2.gz RJUCCBGRDZIYIQ-SGIRGMQISA-N 1 1 466.593 3.663 20 0 JHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743901 720848545 /nfs/dbraw/zinc/84/85/45/720848545.db2.gz JWBVZMFGNZSOFX-QHAWAJNXSA-N 1 1 472.622 3.724 20 0 JHADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164754042 720852423 /nfs/dbraw/zinc/85/24/23/720852423.db2.gz ZUIRTVOLXGFAFX-TZBSWOFLSA-N 1 1 459.598 3.513 20 0 JHADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(C)n2)cc1 ZINC001164746031 720855634 /nfs/dbraw/zinc/85/56/34/720855634.db2.gz FHKRGRHOAFKSOS-ZFGGDYGUSA-N 1 1 475.597 3.557 20 0 JHADMO CC(C)(C)OC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164746203 720856035 /nfs/dbraw/zinc/85/60/35/720856035.db2.gz 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1 1 457.018 3.849 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC[C@@H]2C1 ZINC001164864690 720886673 /nfs/dbraw/zinc/88/66/73/720886673.db2.gz WLXUDEBZKGTQGA-QAPCUYQASA-N 1 1 455.361 3.763 20 0 JHADMO COC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755334 720888096 /nfs/dbraw/zinc/88/80/96/720888096.db2.gz LAOUZDNVFLSYPU-NLFFAJNJSA-N 1 1 471.001 3.672 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)CC[C@@H]2C1 ZINC001164864538 720889003 /nfs/dbraw/zinc/88/90/03/720889003.db2.gz WACRVCGSHCQFLR-BEFAXECRSA-N 1 1 453.370 3.749 20 0 JHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750911 720889825 /nfs/dbraw/zinc/88/98/25/720889825.db2.gz CEFBRFZKHRDKOQ-LXFBAYGMSA-N 1 1 491.636 3.681 20 0 JHADMO COc1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755942 720890274 /nfs/dbraw/zinc/89/02/74/720890274.db2.gz NOGNJKXQZQJLCS-WXVAWEFUSA-N 1 1 459.594 3.789 20 0 JHADMO CC(C)(C)Oc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756560 720891871 /nfs/dbraw/zinc/89/18/71/720891871.db2.gz QGYPMVUUJGHAQX-BKMJKUGQSA-N 1 1 451.615 3.804 20 0 JHADMO COc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c(OC)c1 ZINC001164750789 720894016 /nfs/dbraw/zinc/89/40/16/720894016.db2.gz BZBGITMLNUHLEG-DFHRPNOPSA-N 1 1 489.620 3.797 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccnc(-c4cccnc4)n2)C3)c1 ZINC001164756836 720894415 /nfs/dbraw/zinc/89/44/15/720894415.db2.gz RIUBXSFZSLOUSZ-RPLLCQBOSA-N 1 1 456.594 3.689 20 0 JHADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755681 720895137 /nfs/dbraw/zinc/89/51/37/720895137.db2.gz MNMSVWSAOBGJKT-CUNXSJBXSA-N 1 1 479.625 3.582 20 0 JHADMO COc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758083 720895882 /nfs/dbraw/zinc/89/58/82/720895882.db2.gz WLKDXBKZHDZROB-UFHPHHKVSA-N 1 1 486.620 3.697 20 0 JHADMO CCOC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755962 720897436 /nfs/dbraw/zinc/89/74/36/720897436.db2.gz NTVULCFLLSZQGG-MMDPSESJSA-N 1 1 476.621 3.808 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CCCCC4)n2)C3)c1 ZINC001164750669 720898748 /nfs/dbraw/zinc/89/87/48/720898748.db2.gz BMQRODSTSHIYLY-SQHAQQRYSA-N 1 1 462.642 3.617 20 0 JHADMO CC(C)(C)NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752652 720899282 /nfs/dbraw/zinc/89/92/82/720899282.db2.gz FOVDUKGVUDHNGP-UFHPHHKVSA-N 1 1 477.653 3.760 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH]cc1-2 ZINC001164746493 720906837 /nfs/dbraw/zinc/90/68/37/720906837.db2.gz AZAWDNNGSFBIEC-DFHRPNOPSA-N 1 1 489.620 3.890 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH]cc1-2 ZINC001164746493 720906841 /nfs/dbraw/zinc/90/68/41/720906841.db2.gz AZAWDNNGSFBIEC-DFHRPNOPSA-N 1 1 489.620 3.890 20 0 JHADMO CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164758515 721000034 /nfs/dbraw/zinc/00/00/34/721000034.db2.gz VQFTWYRNNDGDOJ-SFHLNBCPSA-N 1 1 494.665 3.532 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1 ZINC001164762656 721022560 /nfs/dbraw/zinc/02/25/60/721022560.db2.gz WEXPCNLIRWOKRG-VPBXCIAMSA-N 1 1 463.626 3.571 20 0 JHADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864349 721032682 /nfs/dbraw/zinc/03/26/82/721032682.db2.gz YRQGSPNHLIINRG-UHFFFAOYSA-N 1 1 464.307 3.986 20 0 JHADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862753 721033971 /nfs/dbraw/zinc/03/39/71/721033971.db2.gz PTAOGXCUKRGZBF-UHFFFAOYSA-N 1 1 461.929 3.907 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766417 721095139 /nfs/dbraw/zinc/09/51/39/721095139.db2.gz KFRDYNAKVUJXQF-CABCVRRESA-N 1 1 450.896 3.659 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865640 721121565 /nfs/dbraw/zinc/12/15/65/721121565.db2.gz NTYRAXOEOXSFAW-SJLPKXTDSA-N 1 1 461.900 3.583 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871094 721136513 /nfs/dbraw/zinc/13/65/13/721136513.db2.gz DPJWBTTZNUZLBA-OALUTQOASA-N 1 1 472.927 3.612 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878219 721143106 /nfs/dbraw/zinc/14/31/06/721143106.db2.gz PRSHYMJHSZAMQQ-YMPZKCBVSA-N 1 1 458.610 3.883 20 0 JHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880665 721163762 /nfs/dbraw/zinc/16/37/62/721163762.db2.gz WURDUQDLFMYQDY-ZYKOEDHHSA-N 1 1 469.948 3.799 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870072 721185738 /nfs/dbraw/zinc/18/57/38/721185738.db2.gz SLCKFRCAMDWFQU-WIYYLYMNSA-N 1 1 467.957 3.806 20 0 JHADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164766061 721199900 /nfs/dbraw/zinc/19/99/00/721199900.db2.gz IVSSPVQHKNSHKL-RPWUZVMVSA-N 1 1 455.610 3.788 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767671 721227858 /nfs/dbraw/zinc/22/78/58/721227858.db2.gz KJAXZQJDJPOQQL-RPWUZVMVSA-N 1 1 457.626 3.826 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769782 721237489 /nfs/dbraw/zinc/23/74/89/721237489.db2.gz ZPQXHSBHFYBBOY-XZOQPEGZSA-N 1 1 454.578 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164880870 721309439 /nfs/dbraw/zinc/30/94/39/721309439.db2.gz SWBJQMXEBWNGLS-WPFOTENUSA-N 1 1 454.640 3.776 20 0 JHADMO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164779008 721325722 /nfs/dbraw/zinc/32/57/22/721325722.db2.gz SXVWKOMWAUUHTR-NRFANRHFSA-N 1 1 475.568 3.776 20 0 JHADMO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164779008 721325724 /nfs/dbraw/zinc/32/57/24/721325724.db2.gz SXVWKOMWAUUHTR-NRFANRHFSA-N 1 1 475.568 3.776 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164778679 721341821 /nfs/dbraw/zinc/34/18/21/721341821.db2.gz NRCAMICKACTYNX-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164778679 721341824 /nfs/dbraw/zinc/34/18/24/721341824.db2.gz NRCAMICKACTYNX-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164886417 721344495 /nfs/dbraw/zinc/34/44/95/721344495.db2.gz SFGUZOSDORUTQE-RXFWQSSRSA-N 1 1 483.682 3.806 20 0 JHADMO COc1cc2cc[nH+]c(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780024 721352313 /nfs/dbraw/zinc/35/23/13/721352313.db2.gz YMBMZLOUDKMYHL-SANMLTNESA-N 1 1 466.582 3.976 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164780817 721356301 /nfs/dbraw/zinc/35/63/01/721356301.db2.gz HWIGHVASILEEGK-JOCHJYFZSA-N 1 1 492.958 3.947 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164780817 721356307 /nfs/dbraw/zinc/35/63/07/721356307.db2.gz HWIGHVASILEEGK-JOCHJYFZSA-N 1 1 492.958 3.947 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164785232 721363684 /nfs/dbraw/zinc/36/36/84/721363684.db2.gz SQMMXUUHMDNNDZ-FQEVSTJZSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164785232 721363687 /nfs/dbraw/zinc/36/36/87/721363687.db2.gz SQMMXUUHMDNNDZ-FQEVSTJZSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)C2)C1 ZINC001164780229 721365287 /nfs/dbraw/zinc/36/52/87/721365287.db2.gz DJENMJOCTPRBCF-HRFSGMKKSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)C2)C1 ZINC001164780229 721365292 /nfs/dbraw/zinc/36/52/92/721365292.db2.gz DJENMJOCTPRBCF-HRFSGMKKSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164787052 721367279 /nfs/dbraw/zinc/36/72/79/721367279.db2.gz XUZTWQYROLZHKY-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164787052 721367282 /nfs/dbraw/zinc/36/72/82/721367282.db2.gz XUZTWQYROLZHKY-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1 ZINC001164779247 721375163 /nfs/dbraw/zinc/37/51/63/721375163.db2.gz ADMCCEISDCDZAR-VWLOTQADSA-N 1 1 455.603 3.769 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(OCC4CCCC4)n3)C2)C1 ZINC001164779247 721375166 /nfs/dbraw/zinc/37/51/66/721375166.db2.gz ADMCCEISDCDZAR-VWLOTQADSA-N 1 1 455.603 3.769 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164789835 721401805 /nfs/dbraw/zinc/40/18/05/721401805.db2.gz UPMZRELGBJNJFG-HDICACEKSA-N 1 1 453.015 3.671 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164789835 721401807 /nfs/dbraw/zinc/40/18/07/721401807.db2.gz UPMZRELGBJNJFG-HDICACEKSA-N 1 1 453.015 3.671 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885090 721406978 /nfs/dbraw/zinc/40/69/78/721406978.db2.gz FLKMSTSOTUXTJM-XMSQKQJNSA-N 1 1 465.976 3.594 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894237 721429773 /nfs/dbraw/zinc/42/97/73/721429773.db2.gz KZZSBXARPLUCPB-OXJNMPFZSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895798 721443010 /nfs/dbraw/zinc/44/30/10/721443010.db2.gz POAOXTYAGYRBSA-RDGATRHJSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897135 721443668 /nfs/dbraw/zinc/44/36/68/721443668.db2.gz SPHIBOJYMHYYQV-VGOFRKELSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890718 721445798 /nfs/dbraw/zinc/44/57/98/721445798.db2.gz DMRGTZSVOSGAMF-SBUREZEXSA-N 1 1 465.976 3.986 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893811 721446145 /nfs/dbraw/zinc/44/61/45/721446145.db2.gz KRJOZUBSBIUWFF-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884286 721447701 /nfs/dbraw/zinc/44/77/01/721447701.db2.gz ANGJRZMVVWBGHI-VAVYLYDRSA-N 1 1 487.648 3.974 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164790257 721451435 /nfs/dbraw/zinc/45/14/35/721451435.db2.gz XOIDFLMHWNEVRP-SFHVURJKSA-N 1 1 458.981 3.717 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892037 721451783 /nfs/dbraw/zinc/45/17/83/721451783.db2.gz VXSHAGGGTUIREG-FPOVZHCZSA-N 1 1 454.993 3.620 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164785182 721453673 /nfs/dbraw/zinc/45/36/73/721453673.db2.gz HABIWUSTNBSRGM-GOSISDBHSA-N 1 1 458.981 3.717 20 0 JHADMO Cc1nc(CN2CC[C@]3(CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)C2=O)cs1 ZINC001164891382 721461224 /nfs/dbraw/zinc/46/12/24/721461224.db2.gz UNOCAWLABALVAB-MHZLTWQESA-N 1 1 488.661 3.819 20 0 JHADMO Cc1nc(CN2CC[C@]3(CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)C2=O)cs1 ZINC001164891382 721461227 /nfs/dbraw/zinc/46/12/27/721461227.db2.gz UNOCAWLABALVAB-MHZLTWQESA-N 1 1 488.661 3.819 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164790006 721467246 /nfs/dbraw/zinc/46/72/46/721467246.db2.gz PWIDMZQDJNMFBQ-QFIPXVFZSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164788033 721467869 /nfs/dbraw/zinc/46/78/69/721467869.db2.gz HQIOCSDZPLAGLA-QFIPXVFZSA-N 1 1 466.626 3.886 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164894818 721483538 /nfs/dbraw/zinc/48/35/38/721483538.db2.gz JDYYWZCOYZCGMB-CLOONOSVSA-N 1 1 471.671 3.519 20 0 JHADMO O=C(C[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2)NCC1CC1 ZINC001164893401 721483607 /nfs/dbraw/zinc/48/36/07/721483607.db2.gz CRUIDAZTFJHZIY-XHCCPWGMSA-N 1 1 495.693 3.535 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164893208 721484274 /nfs/dbraw/zinc/48/42/74/721484274.db2.gz BNYCGKVKXPGYGW-NFQMXDRXSA-N 1 1 491.661 3.789 20 0 JHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164793587 721492003 /nfs/dbraw/zinc/49/20/03/721492003.db2.gz SZKPCZVBVQJZCJ-UHFFFAOYSA-N 1 1 464.639 3.804 20 0 JHADMO 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 721498486 /nfs/dbraw/zinc/49/84/86/721498486.db2.gz OJBVZEIXJFHNIL-KXEAFHOWSA-N 1 1 484.685 3.912 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795719 721500864 /nfs/dbraw/zinc/50/08/64/721500864.db2.gz KNVZAWGKTHVPCX-UHFFFAOYSA-N 1 1 471.671 3.825 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903013 721527766 /nfs/dbraw/zinc/52/77/66/721527766.db2.gz BURZBVURTIQYML-HKUYNNGSSA-N 1 1 468.554 3.863 20 0 JHADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909318 721528253 /nfs/dbraw/zinc/52/82/53/721528253.db2.gz RITXNXBZVPSTNQ-FUHWJXTLSA-N 1 1 496.917 3.723 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1Cl ZINC001164808977 721541039 /nfs/dbraw/zinc/54/10/39/721541039.db2.gz SRXMTTVKCQQJHT-ABSDTBQOSA-N 1 1 465.381 3.828 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1Cl ZINC001164808977 721541044 /nfs/dbraw/zinc/54/10/44/721541044.db2.gz SRXMTTVKCQQJHT-ABSDTBQOSA-N 1 1 465.381 3.828 20 0 JHADMO 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 721546847 /nfs/dbraw/zinc/54/68/47/721546847.db2.gz GKSPFKHATMTHGZ-NBOBXGGBSA-N 1 1 496.583 3.733 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809004 721550797 /nfs/dbraw/zinc/55/07/97/721550797.db2.gz TWVCENFQVNAGMG-SKPFHBQLSA-N 1 1 481.984 3.723 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809004 721550802 /nfs/dbraw/zinc/55/08/02/721550802.db2.gz TWVCENFQVNAGMG-SKPFHBQLSA-N 1 1 481.984 3.723 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906509 721561815 /nfs/dbraw/zinc/56/18/15/721561815.db2.gz JRIUGJYJYZWHOI-UYAOXDASSA-N 1 1 480.540 3.650 20 0 JHADMO CCOC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804009 721563377 /nfs/dbraw/zinc/56/33/77/721563377.db2.gz KQYNCGPATSBCGS-FIXSFTCYSA-N 1 1 463.582 3.620 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)[C@H]2CCCO[C@H]12 ZINC001164800377 721573008 /nfs/dbraw/zinc/57/30/08/721573008.db2.gz FGKCJLBEMSCRIH-GSLIJJQTSA-N 1 1 467.573 3.988 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164800367 721576836 /nfs/dbraw/zinc/57/68/36/721576836.db2.gz FFSGJSRANKNVBH-JIMJEQGWSA-N 1 1 469.589 3.548 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164800367 721576838 /nfs/dbraw/zinc/57/68/38/721576838.db2.gz FFSGJSRANKNVBH-JIMJEQGWSA-N 1 1 469.589 3.548 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)c2c1C ZINC001164905174 721580575 /nfs/dbraw/zinc/58/05/75/721580575.db2.gz UEVVLBVAKNNZDV-RUZDIDTESA-N 1 1 479.654 3.570 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164801625 721588309 /nfs/dbraw/zinc/58/83/09/721588309.db2.gz FCGNSUPNANSBNK-PVHODMMVSA-N 1 1 473.621 3.956 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164801625 721588310 /nfs/dbraw/zinc/58/83/10/721588310.db2.gz FCGNSUPNANSBNK-PVHODMMVSA-N 1 1 473.621 3.956 20 0 JHADMO CC(C)(C)OC(=O)Nc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164903671 721692120 /nfs/dbraw/zinc/69/21/20/721692120.db2.gz BHKCZGNRHGLJPV-JOCHJYFZSA-N 1 1 460.529 3.956 20 0 JHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906876 721710701 /nfs/dbraw/zinc/71/07/01/721710701.db2.gz OWTYXNKENYVNEA-DEOSSOPVSA-N 1 1 465.552 3.737 20 0 JHADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907656 721718137 /nfs/dbraw/zinc/71/81/37/721718137.db2.gz SHTXQITYMALAID-XLQQFJOYSA-N 1 1 467.520 3.882 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C1=O ZINC001164904981 721719815 /nfs/dbraw/zinc/71/98/15/721719815.db2.gz GGZVOVPQSJEAJG-QFIPXVFZSA-N 1 1 476.959 3.627 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1C ZINC001164908659 721721155 /nfs/dbraw/zinc/72/11/55/721721155.db2.gz YLAQUBKAMUJJPS-JOCHJYFZSA-N 1 1 490.942 3.541 20 0 JHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911846 721738257 /nfs/dbraw/zinc/73/82/57/721738257.db2.gz LBDGYUFTMBWTSG-XMMPIXPASA-N 1 1 488.535 3.568 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165013214 721754447 /nfs/dbraw/zinc/75/44/47/721754447.db2.gz KHNQKZVRACVDQJ-ZJSPYRCASA-N 1 1 477.653 3.614 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164911789 721763651 /nfs/dbraw/zinc/76/36/51/721763651.db2.gz RVCGKDZQPUEXQX-UHFFFAOYSA-N 1 1 451.534 3.998 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164911789 721763658 /nfs/dbraw/zinc/76/36/58/721763658.db2.gz RVCGKDZQPUEXQX-UHFFFAOYSA-N 1 1 451.534 3.998 20 0 JHADMO c1csc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)c1 ZINC001164910297 721775507 /nfs/dbraw/zinc/77/55/07/721775507.db2.gz BDJDJWLNNRJIPW-DEOSSOPVSA-N 1 1 479.631 3.923 20 0 JHADMO c1csc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)c1 ZINC001164910297 721775514 /nfs/dbraw/zinc/77/55/14/721775514.db2.gz BDJDJWLNNRJIPW-DEOSSOPVSA-N 1 1 479.631 3.923 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027478 721796884 /nfs/dbraw/zinc/79/68/84/721796884.db2.gz VUXJTJUIJXXHMP-DSNGMDLFSA-N 1 1 464.610 3.643 20 0 JHADMO FC1(F)CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@]12CCN(c1cnccn1)C2 ZINC001164915062 721802229 /nfs/dbraw/zinc/80/22/29/721802229.db2.gz HPBPCUUTVWRJGE-RUZDIDTESA-N 1 1 477.563 3.567 20 0 JHADMO FC1(F)CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@]12CCN(c1cnccn1)C2 ZINC001164915062 721802230 /nfs/dbraw/zinc/80/22/30/721802230.db2.gz HPBPCUUTVWRJGE-RUZDIDTESA-N 1 1 477.563 3.567 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165020619 721825061 /nfs/dbraw/zinc/82/50/61/721825061.db2.gz CWCNFZNCEBMQHQ-OYDLWJJNSA-N 1 1 471.671 3.538 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026701 721825154 /nfs/dbraw/zinc/82/51/54/721825154.db2.gz PNFOHWPLWCKHJZ-VJBMBRPKSA-N 1 1 471.671 3.680 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164934817 721880153 /nfs/dbraw/zinc/88/01/53/721880153.db2.gz UPSGPVXEIFTMDY-GIVPXCGWSA-N 1 1 468.715 3.627 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[C@@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164934817 721880154 /nfs/dbraw/zinc/88/01/54/721880154.db2.gz UPSGPVXEIFTMDY-GIVPXCGWSA-N 1 1 468.715 3.627 20 0 JHADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164937148 721913779 /nfs/dbraw/zinc/91/37/79/721913779.db2.gz HXVQCCVYEICFPV-HDICACEKSA-N 1 1 481.691 3.927 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2)cc1 ZINC001164939930 721932768 /nfs/dbraw/zinc/93/27/68/721932768.db2.gz OZSQVUPVIZZKOT-UHFFFAOYSA-N 1 1 454.578 3.995 20 0 JHADMO NC(=O)c1ccc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1Cl ZINC001165045155 721939555 /nfs/dbraw/zinc/93/95/55/721939555.db2.gz WDVMTFYVFNUYDN-UHFFFAOYSA-N 1 1 452.292 3.907 20 0 JHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164948377 721979493 /nfs/dbraw/zinc/97/94/93/721979493.db2.gz LJZZMQTYJKRYEL-UHFFFAOYSA-N 1 1 465.960 3.907 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164948377 721979496 /nfs/dbraw/zinc/97/94/96/721979496.db2.gz LJZZMQTYJKRYEL-UHFFFAOYSA-N 1 1 465.960 3.907 20 0 JHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164951235 721980385 /nfs/dbraw/zinc/98/03/85/721980385.db2.gz YNFNZBZHVPWDEB-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164951235 721980388 /nfs/dbraw/zinc/98/03/88/721980388.db2.gz YNFNZBZHVPWDEB-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050795 721981809 /nfs/dbraw/zinc/98/18/09/721981809.db2.gz WROADESGYYAVKX-QPPBQGQZSA-N 1 1 450.583 3.507 20 0 JHADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955910 722022801 /nfs/dbraw/zinc/02/28/01/722022801.db2.gz SFVUYJPUUDPRHB-NRFANRHFSA-N 1 1 455.912 3.823 20 0 JHADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164959898 722028445 /nfs/dbraw/zinc/02/84/45/722028445.db2.gz JJQARQXYJJXHGE-BFLUCZKCSA-N 1 1 460.553 3.989 20 0 JHADMO 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JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001306626452 1069321637 /nfs/dbraw/zinc/32/16/37/1069321637.db2.gz YMTVSQZNIMLGKO-BVYCBKJFSA-N 1 1 474.650 3.518 20 0 JHADMO CCS(=O)(=O)c1ccc2oc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nc2c1 ZINC001311329048 1069326512 /nfs/dbraw/zinc/32/65/12/1069326512.db2.gz QBULCYSDGWPEJO-FUHWJXTLSA-N 1 1 456.568 3.511 20 0 JHADMO COc1ccc([C@@H]2CN(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001311342153 1069329878 /nfs/dbraw/zinc/32/98/78/1069329878.db2.gz BWAHXNZMOGJKRP-BULFRSBZSA-N 1 1 471.602 3.539 20 0 JHADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001311341747 1069330073 /nfs/dbraw/zinc/33/00/73/1069330073.db2.gz VMEIWWAUPPECCM-WZONZLPQSA-N 1 1 454.596 3.628 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc[nH+]c2C)CC1 ZINC001306635011 1069341168 /nfs/dbraw/zinc/34/11/68/1069341168.db2.gz QRARXEKVLLFYHJ-UHFFFAOYSA-N 1 1 485.036 3.864 20 0 JHADMO CC(C)C[C@H](C)Oc1cc(CNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC001311378214 1069351635 /nfs/dbraw/zinc/35/16/35/1069351635.db2.gz YBRKBFXSVPDBKD-VXKWHMMOSA-N 1 1 453.631 3.905 20 0 JHADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388517 1069357088 /nfs/dbraw/zinc/35/70/88/1069357088.db2.gz DNMBYFNUXGPPFS-QPPBQGQZSA-N 1 1 457.018 3.595 20 0 JHADMO CC[C@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC001311393974 1069359995 /nfs/dbraw/zinc/35/99/95/1069359995.db2.gz DZUSCLUAPQIPJH-OFNKIYASSA-N 1 1 453.537 3.924 20 0 JHADMO CN(C)[C@@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1Cl ZINC001311421600 1069369401 /nfs/dbraw/zinc/36/94/01/1069369401.db2.gz CIJRIRSOALXVBA-ZEQRLZLVSA-N 1 1 458.050 3.621 20 0 JHADMO CC[NH+]1CCC(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CC1 ZINC001306659412 1069376583 /nfs/dbraw/zinc/37/65/83/1069376583.db2.gz DHORWFUCELGLHV-UHFFFAOYSA-N 1 1 459.612 3.656 20 0 JHADMO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001306660237 1069379268 /nfs/dbraw/zinc/37/92/68/1069379268.db2.gz WFFYKUXCOWWKTL-FGZHOGPDSA-N 1 1 460.667 3.527 20 0 JHADMO COC(=O)Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311460788 1069388878 /nfs/dbraw/zinc/38/88/78/1069388878.db2.gz PTDMJAKZKTWLKX-IBGZPJMESA-N 1 1 450.461 3.957 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001306665254 1069391770 /nfs/dbraw/zinc/39/17/70/1069391770.db2.gz MJJMIDAOWYTKIZ-OAQYLSRUSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001306669812 1069396863 /nfs/dbraw/zinc/39/68/63/1069396863.db2.gz SPYPUAXTSJAEPV-HXUWFJFHSA-N 1 1 461.676 3.953 20 0 JHADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)CC1 ZINC001311479948 1069397223 /nfs/dbraw/zinc/39/72/23/1069397223.db2.gz GCFSAWLFBQQXIM-QFIPXVFZSA-N 1 1 451.453 3.582 20 0 JHADMO C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccccc1NS(C)(=O)=O ZINC001311493016 1069403724 /nfs/dbraw/zinc/40/37/24/1069403724.db2.gz IDRMWICWLBOKRP-OALUTQOASA-N 1 1 458.628 3.993 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CCc2sc(C)nc2C)CC1 ZINC001306677954 1069402533 /nfs/dbraw/zinc/40/25/33/1069402533.db2.gz GOWRSWKXWTVWMV-UHFFFAOYSA-N 1 1 468.675 3.999 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001306679394 1069404925 /nfs/dbraw/zinc/40/49/25/1069404925.db2.gz JFRVCDCEENSGMY-ICSRJNTNSA-N 1 1 483.642 3.685 20 0 JHADMO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001311495355 1069405627 /nfs/dbraw/zinc/40/56/27/1069405627.db2.gz IZABQRPHBUPDLX-LJQANCHMSA-N 1 1 454.590 3.922 20 0 JHADMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497966 1069407542 /nfs/dbraw/zinc/40/75/42/1069407542.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 1 1 450.627 3.758 20 0 JHADMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497966 1069407549 /nfs/dbraw/zinc/40/75/49/1069407549.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 1 1 450.627 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001306681881 1069411832 /nfs/dbraw/zinc/41/18/32/1069411832.db2.gz WJHPOGWCLOMPAX-UHFFFAOYSA-N 1 1 482.032 3.688 20 0 JHADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499531 1069408665 /nfs/dbraw/zinc/40/86/65/1069408665.db2.gz YUICGUHRNNPANY-JTSKRJEESA-N 1 1 456.537 3.801 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306680880 1069409201 /nfs/dbraw/zinc/40/92/01/1069409201.db2.gz VIYCBNOZGWNNHU-UHFFFAOYSA-N 1 1 497.688 3.574 20 0 JHADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC001311500317 1069409742 /nfs/dbraw/zinc/40/97/42/1069409742.db2.gz JMFHEZKXDLMXOJ-NRFANRHFSA-N 1 1 451.489 3.636 20 0 JHADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC001311500317 1069409746 /nfs/dbraw/zinc/40/97/46/1069409746.db2.gz JMFHEZKXDLMXOJ-NRFANRHFSA-N 1 1 451.489 3.636 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001306682651 1069414565 /nfs/dbraw/zinc/41/45/65/1069414565.db2.gz KPUFZZYZQXPQCB-ZWKOTPCHSA-N 1 1 451.930 3.584 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306682780 1069414694 /nfs/dbraw/zinc/41/46/94/1069414694.db2.gz NOVJOSNIQJXIPB-AREMUKBSSA-N 1 1 454.663 3.937 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001306683654 1069418058 /nfs/dbraw/zinc/41/80/58/1069418058.db2.gz ZQPWHQZWIZWJKA-MBSDFSHPSA-N 1 1 492.462 3.824 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001306683231 1069415980 /nfs/dbraw/zinc/41/59/80/1069415980.db2.gz PLFGZNJCDOIMSR-OAQYLSRUSA-N 1 1 469.609 3.535 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306686188 1069422744 /nfs/dbraw/zinc/42/27/44/1069422744.db2.gz SEYBJYNJONSVTF-UTKZUKDTSA-N 1 1 466.001 3.884 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001306684782 1069420020 /nfs/dbraw/zinc/42/00/20/1069420020.db2.gz SRHOIKWMZUIDJN-UHFFFAOYSA-N 1 1 455.557 3.677 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001306685862 1069421449 /nfs/dbraw/zinc/42/14/49/1069421449.db2.gz MGZADSFWDXTDHU-JOCHJYFZSA-N 1 1 492.709 3.987 20 0 JHADMO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001306685761 1069421476 /nfs/dbraw/zinc/42/14/76/1069421476.db2.gz KMYSUYYKRGYNQS-DEOSSOPVSA-N 1 1 454.663 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001306685761 1069421479 /nfs/dbraw/zinc/42/14/79/1069421479.db2.gz KMYSUYYKRGYNQS-DEOSSOPVSA-N 1 1 454.663 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001306686170 1069421883 /nfs/dbraw/zinc/42/18/83/1069421883.db2.gz BAXNLUDKFJUYBP-MRXNPFEDSA-N 1 1 472.581 3.780 20 0 JHADMO CN(C(=O)N[C@H](COc1ccccc1F)c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001311526631 1069424051 /nfs/dbraw/zinc/42/40/51/1069424051.db2.gz XUXBZIBACKCSLU-ISKFKSNPSA-N 1 1 454.590 3.756 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306689422 1069426721 /nfs/dbraw/zinc/42/67/21/1069426721.db2.gz WRACPVWCQRDHHO-NRFANRHFSA-N 1 1 465.621 3.850 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001306693130 1069430322 /nfs/dbraw/zinc/43/03/22/1069430322.db2.gz XHZYERHVRAYIPY-FQEVSTJZSA-N 1 1 465.646 3.939 20 0 JHADMO COc1ccc(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC001306695312 1069432479 /nfs/dbraw/zinc/43/24/79/1069432479.db2.gz FTPWWGOAQMEWEB-UHFFFAOYSA-N 1 1 459.955 3.513 20 0 JHADMO CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306704192 1069440289 /nfs/dbraw/zinc/44/02/89/1069440289.db2.gz MMRFJDNXLCDDIN-QFIPXVFZSA-N 1 1 470.662 3.757 20 0 JHADMO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001311578166 1069446912 /nfs/dbraw/zinc/44/69/12/1069446912.db2.gz LISGRKHJTNBEMV-AHWVRZQESA-N 1 1 456.590 3.834 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722226 1069459616 /nfs/dbraw/zinc/45/96/16/1069459616.db2.gz IYJDZEZXTAJNQL-UNMCSNQZSA-N 1 1 486.636 3.880 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306722455 1069460474 /nfs/dbraw/zinc/46/04/74/1069460474.db2.gz LNZMWAUZRGDKGZ-RXVVDRJESA-N 1 1 459.038 3.920 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306722676 1069461048 /nfs/dbraw/zinc/46/10/48/1069461048.db2.gz KBWZEYAOGZAGPY-FGZHOGPDSA-N 1 1 452.647 4.000 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723509 1069463672 /nfs/dbraw/zinc/46/36/72/1069463672.db2.gz SRXINPPTCOBOMW-VAMGGRTRSA-N 1 1 465.664 3.759 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C ZINC001306723762 1069464518 /nfs/dbraw/zinc/46/45/18/1069464518.db2.gz UZMSQDLJAOGGOK-WMZOPIPTSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001306724015 1069464593 /nfs/dbraw/zinc/46/45/93/1069464593.db2.gz XHJDPBQAOWBUBX-GUDVDZBRSA-N 1 1 459.664 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306725441 1069466420 /nfs/dbraw/zinc/46/64/20/1069466420.db2.gz DHVXMMZBARHAEY-YADHBBJMSA-N 1 1 469.630 3.531 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001306725684 1069467268 /nfs/dbraw/zinc/46/72/68/1069467268.db2.gz GPTYOLUBLARRSO-BHIFYINESA-N 1 1 476.666 3.542 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726829 1069470671 /nfs/dbraw/zinc/47/06/71/1069470671.db2.gz NTFBEYHEEMLHJF-DHIUTWEWSA-N 1 1 474.694 3.869 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306731055 1069484484 /nfs/dbraw/zinc/48/44/84/1069484484.db2.gz OKGYZMKNMYSJHZ-DHIUTWEWSA-N 1 1 482.673 3.795 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306731583 1069486311 /nfs/dbraw/zinc/48/63/11/1069486311.db2.gz QXPWRGCWUNGABP-PCCBWWKXSA-N 1 1 476.666 3.888 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C ZINC001306731641 1069486997 /nfs/dbraw/zinc/48/69/97/1069486997.db2.gz SAILLXBIFULTOU-QFIPXVFZSA-N 1 1 468.694 3.964 20 0 JHADMO C[C@H]1CCC[C@@](CNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651724 1069489244 /nfs/dbraw/zinc/48/92/44/1069489244.db2.gz AFPUGTXHWVFOMU-GBXCKJPGSA-N 1 1 450.071 3.662 20 0 JHADMO 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CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647229 1070099220 /nfs/dbraw/zinc/09/92/20/1070099220.db2.gz QSSZSGHCGMQNIT-PMACEKPBSA-N 1 1 456.530 3.669 20 0 JHADMO CC(C)[NH+]1CCN(C2CCN(Cc3cc4c(cc3Br)OCCCO4)CC2)CC1 ZINC001307646526 1070099263 /nfs/dbraw/zinc/09/92/63/1070099263.db2.gz YWDBKWJJQSDRPD-UHFFFAOYSA-N 1 1 452.437 3.601 20 0 JHADMO O=C(C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC001307644031 1070098615 /nfs/dbraw/zinc/09/86/15/1070098615.db2.gz TXQIKPQYORILBY-UHFFFAOYSA-N 1 1 459.384 3.817 20 0 JHADMO O=C(C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC001307644031 1070098630 /nfs/dbraw/zinc/09/86/30/1070098630.db2.gz TXQIKPQYORILBY-UHFFFAOYSA-N 1 1 459.384 3.817 20 0 JHADMO CCOC(=O)c1c(NC(=O)CN(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc2c1CCC2 ZINC001307659271 1070108103 /nfs/dbraw/zinc/10/81/03/1070108103.db2.gz SFNKOSNPFAYUCM-IBGZPJMESA-N 1 1 455.624 3.948 20 0 JHADMO 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CCC[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[N@H+]1CCOC ZINC001312813528 1070137030 /nfs/dbraw/zinc/13/70/30/1070137030.db2.gz HNMZHZMRGLYTSD-KRWDZBQOSA-N 1 1 451.409 3.615 20 0 JHADMO CCOCc1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314340995 1070138628 /nfs/dbraw/zinc/13/86/28/1070138628.db2.gz CLDCZBVSVSIKIT-QFIPXVFZSA-N 1 1 472.037 3.884 20 0 JHADMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712439 1070139557 /nfs/dbraw/zinc/13/95/57/1070139557.db2.gz KSKGISCSHULAPJ-RSXGOPAZSA-N 1 1 456.558 3.665 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001312817172 1070139834 /nfs/dbraw/zinc/13/98/34/1070139834.db2.gz SEWRWZXRCGVFCO-HYBUGGRVSA-N 1 1 455.624 3.606 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001312817172 1070139839 /nfs/dbraw/zinc/13/98/39/1070139839.db2.gz SEWRWZXRCGVFCO-HYBUGGRVSA-N 1 1 455.624 3.606 20 0 JHADMO 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CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC001307724319 1070148728 /nfs/dbraw/zinc/14/87/28/1070148728.db2.gz GQHZELXPNMPOME-ZWKOTPCHSA-N 1 1 455.555 3.921 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001307730643 1070153786 /nfs/dbraw/zinc/15/37/86/1070153786.db2.gz SZDVHPFQIQDNFD-MAUKXSAKSA-N 1 1 457.596 3.718 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001307730643 1070153792 /nfs/dbraw/zinc/15/37/92/1070153792.db2.gz SZDVHPFQIQDNFD-MAUKXSAKSA-N 1 1 457.596 3.718 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314347205 1070154469 /nfs/dbraw/zinc/15/44/69/1070154469.db2.gz WEIAXMCHOCWYDN-UXHICEINSA-N 1 1 478.682 3.676 20 0 JHADMO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314348755 1070160657 /nfs/dbraw/zinc/16/06/57/1070160657.db2.gz GOXYBFBKLLTWGX-NRFANRHFSA-N 1 1 473.637 3.792 20 0 JHADMO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001307743850 1070162087 /nfs/dbraw/zinc/16/20/87/1070162087.db2.gz DQZXVTBZBGATQV-AWEZNQCLSA-N 1 1 453.436 3.865 20 0 JHADMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744336 1070162259 /nfs/dbraw/zinc/16/22/59/1070162259.db2.gz AMCVTRSVKIFKHR-WOJBJXKFSA-N 1 1 453.624 3.782 20 0 JHADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748718 1070164767 /nfs/dbraw/zinc/16/47/67/1070164767.db2.gz PEMCDGODSGZZJA-UXHICEINSA-N 1 1 453.624 3.735 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001312886231 1070167223 /nfs/dbraw/zinc/16/72/23/1070167223.db2.gz PAUSBMHZSMXWCF-VDKIKQQVSA-N 1 1 467.585 3.967 20 0 JHADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c(C)c1 ZINC001307760542 1070171895 /nfs/dbraw/zinc/17/18/95/1070171895.db2.gz BCTSUGYLHOMIPT-VWLOTQADSA-N 1 1 459.590 3.902 20 0 JHADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c(C)c1 ZINC001307760542 1070171904 /nfs/dbraw/zinc/17/19/04/1070171904.db2.gz BCTSUGYLHOMIPT-VWLOTQADSA-N 1 1 459.590 3.902 20 0 JHADMO CCOCc1nnc(N2CCC(O)(Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314350472 1070167623 /nfs/dbraw/zinc/16/76/23/1070167623.db2.gz XWPVPZOKCONGFP-PKTZIBPZSA-N 1 1 469.674 3.817 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773093 1070177158 /nfs/dbraw/zinc/17/71/58/1070177158.db2.gz KMSJDGFPMDBBJZ-LEWJYISDSA-N 1 1 451.652 3.811 20 0 JHADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC001307764123 1070173615 /nfs/dbraw/zinc/17/36/15/1070173615.db2.gz UWMLHXZDDUQBKE-LEWJYISDSA-N 1 1 456.530 3.794 20 0 JHADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC001307764123 1070173622 /nfs/dbraw/zinc/17/36/22/1070173622.db2.gz UWMLHXZDDUQBKE-LEWJYISDSA-N 1 1 456.530 3.794 20 0 JHADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799085 1070187205 /nfs/dbraw/zinc/18/72/05/1070187205.db2.gz KKLIJFDFWYFLNB-QFQXNSOFSA-N 1 1 458.599 3.609 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363325 1070188830 /nfs/dbraw/zinc/18/88/30/1070188830.db2.gz DCJCDUBFGWINHD-UYAOXDASSA-N 1 1 478.588 3.950 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314363329 1070189569 /nfs/dbraw/zinc/18/95/69/1070189569.db2.gz DCLRZNIELWFBGT-NHCUHLMSSA-N 1 1 478.682 3.676 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001314363333 1070189707 /nfs/dbraw/zinc/18/97/07/1070189707.db2.gz DCLRZNIELWFBGT-SFTDATJTSA-N 1 1 478.682 3.676 20 0 JHADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC001307810585 1070194311 /nfs/dbraw/zinc/19/43/11/1070194311.db2.gz CTPXLGAAMINCMY-QHCPKHFHSA-N 1 1 450.938 3.752 20 0 JHADMO C[N@@H+](CCn1cc(Br)cn1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC001307817646 1070198566 /nfs/dbraw/zinc/19/85/66/1070198566.db2.gz BPPNOBWULJCZNN-OAHLLOKOSA-N 1 1 451.590 3.901 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001307812344 1070195242 /nfs/dbraw/zinc/19/52/42/1070195242.db2.gz OVQNTDCRWKXVKH-QAPCUYQASA-N 1 1 451.327 3.995 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001307812344 1070195245 /nfs/dbraw/zinc/19/52/45/1070195245.db2.gz OVQNTDCRWKXVKH-QAPCUYQASA-N 1 1 451.327 3.995 20 0 JHADMO COc1ccc([C@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)Cc2ccccc2)cc1 ZINC001307843292 1070209010 /nfs/dbraw/zinc/20/90/10/1070209010.db2.gz LRWOTIVHBDKVDS-RXFWQSSRSA-N 1 1 458.558 3.958 20 0 JHADMO CSc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C(C)C ZINC001307845233 1070209453 /nfs/dbraw/zinc/20/94/53/1070209453.db2.gz RJHXNODSAFGPGH-LJQANCHMSA-N 1 1 459.612 3.824 20 0 JHADMO 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 1070212531 /nfs/dbraw/zinc/21/25/31/1070212531.db2.gz YTKWAWWEYNNEPQ-STZQEDGTSA-N 1 1 462.610 3.950 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314376067 1070215759 /nfs/dbraw/zinc/21/57/59/1070215759.db2.gz KISVPHIYWOJLEU-YADHBBJMSA-N 1 1 474.694 3.554 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)CCC2 ZINC001307872166 1070218177 /nfs/dbraw/zinc/21/81/77/1070218177.db2.gz NPWNCROCVSUXOJ-WOJBJXKFSA-N 1 1 456.608 3.810 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)CCC2 ZINC001307872166 1070218189 /nfs/dbraw/zinc/21/81/89/1070218189.db2.gz NPWNCROCVSUXOJ-WOJBJXKFSA-N 1 1 456.608 3.810 20 0 JHADMO COCCNC(=O)c1c(NC(=O)C[NH2+]C2(c3ccccc3F)CCC2)sc2c1CCCC2 ZINC001307874334 1070218858 /nfs/dbraw/zinc/21/88/58/1070218858.db2.gz MSHZKSAVYRDQCV-UHFFFAOYSA-N 1 1 459.587 3.750 20 0 JHADMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)[C@@H]1C ZINC001307881328 1070221290 /nfs/dbraw/zinc/22/12/90/1070221290.db2.gz JQDFSNBVTQFOMP-WOIUINJBSA-N 1 1 455.603 3.502 20 0 JHADMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)[C@@H]1C ZINC001307881328 1070221302 /nfs/dbraw/zinc/22/13/02/1070221302.db2.gz JQDFSNBVTQFOMP-WOIUINJBSA-N 1 1 455.603 3.502 20 0 JHADMO 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 1070222348 /nfs/dbraw/zinc/22/23/48/1070222348.db2.gz ZINWXZGSEKDEPA-KKSHJYNMSA-N 1 1 452.551 3.732 20 0 JHADMO 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 1070222416 /nfs/dbraw/zinc/22/24/16/1070222416.db2.gz FFVNPKQKEWLRKF-UPUUWEMXSA-N 1 1 479.017 3.945 20 0 JHADMO C[N@H+]1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001313027959 1070225906 /nfs/dbraw/zinc/22/59/06/1070225906.db2.gz WYXYRIOTECIBKZ-MJGOQNOKSA-N 1 1 456.450 3.829 20 0 JHADMO COCC[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001307893928 1070228256 /nfs/dbraw/zinc/22/82/56/1070228256.db2.gz LNRSBKQUAMUSSH-UHFFFAOYSA-N 1 1 453.583 3.992 20 0 JHADMO CC(C)(C)OC(=O)NCCC1CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC001307892499 1070228176 /nfs/dbraw/zinc/22/81/76/1070228176.db2.gz IFALYLOUDBAVCH-NRFANRHFSA-N 1 1 458.628 3.976 20 0 JHADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307895404 1070228849 /nfs/dbraw/zinc/22/88/49/1070228849.db2.gz ZUOXGTCMEGAIKH-DOTOQJQBSA-N 1 1 459.509 3.578 20 0 JHADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307895404 1070228863 /nfs/dbraw/zinc/22/88/63/1070228863.db2.gz ZUOXGTCMEGAIKH-DOTOQJQBSA-N 1 1 459.509 3.578 20 0 JHADMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307897329 1070230166 /nfs/dbraw/zinc/23/01/66/1070230166.db2.gz NEORSIHNVIONIZ-UTKZUKDTSA-N 1 1 458.603 3.533 20 0 JHADMO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908351 1070234328 /nfs/dbraw/zinc/23/43/28/1070234328.db2.gz LVFOQDKMVUAXFD-CEDBRAGKSA-N 1 1 468.491 3.835 20 0 JHADMO COc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908351 1070234336 /nfs/dbraw/zinc/23/43/36/1070234336.db2.gz LVFOQDKMVUAXFD-CEDBRAGKSA-N 1 1 468.491 3.835 20 0 JHADMO O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916655 1070239322 /nfs/dbraw/zinc/23/93/22/1070239322.db2.gz HFARWNZAYHHGAG-CTNGQTDRSA-N 1 1 451.533 3.833 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001314390048 1070243273 /nfs/dbraw/zinc/24/32/73/1070243273.db2.gz HTIKYPRCIYNNPN-GCJKJVERSA-N 1 1 476.616 3.706 20 0 JHADMO CCOCc1nnc(N2CCN(c3ccccc3OCC)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314391612 1070245876 /nfs/dbraw/zinc/24/58/76/1070245876.db2.gz QTQKUSIRBCEPHU-UHFFFAOYSA-N 1 1 470.662 3.662 20 0 JHADMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC001307936307 1070249434 /nfs/dbraw/zinc/24/94/34/1070249434.db2.gz GBQCAXGYGBOXJD-UXHICEINSA-N 1 1 451.658 3.548 20 0 JHADMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC001307936307 1070249446 /nfs/dbraw/zinc/24/94/46/1070249446.db2.gz GBQCAXGYGBOXJD-UXHICEINSA-N 1 1 451.658 3.548 20 0 JHADMO CCOCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001314396264 1070254789 /nfs/dbraw/zinc/25/47/89/1070254789.db2.gz JFZHCHNPGYDTCQ-OAQYLSRUSA-N 1 1 489.734 3.765 20 0 JHADMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001307953358 1070256025 /nfs/dbraw/zinc/25/60/25/1070256025.db2.gz AFLBPQLRTYTMLG-FQEVSTJZSA-N 1 1 455.549 3.874 20 0 JHADMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001307953358 1070256040 /nfs/dbraw/zinc/25/60/40/1070256040.db2.gz AFLBPQLRTYTMLG-FQEVSTJZSA-N 1 1 455.549 3.874 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001314395736 1070254078 /nfs/dbraw/zinc/25/40/78/1070254078.db2.gz FSLGJHPEAPPWGZ-UHFFFAOYSA-N 1 1 455.628 3.758 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 ZINC001313133273 1070263106 /nfs/dbraw/zinc/26/31/06/1070263106.db2.gz PZGCJTMFYSPDDX-FXVJXKIMSA-N 1 1 477.580 3.705 20 0 JHADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC001307969747 1070263107 /nfs/dbraw/zinc/26/31/07/1070263107.db2.gz AYHXINUVXMFMCM-QFIPXVFZSA-N 1 1 453.926 3.863 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135267 1070264259 /nfs/dbraw/zinc/26/42/59/1070264259.db2.gz BSIZMHDPTMBJDB-UGKGYDQZSA-N 1 1 455.002 3.576 20 0 JHADMO COc1cc(NC(=O)C[NH2+][C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC001307982133 1070268580 /nfs/dbraw/zinc/26/85/80/1070268580.db2.gz JQJRARBNKAGVAY-KRWDZBQOSA-N 1 1 456.370 3.850 20 0 JHADMO COc1ccc(N=c2scc(CN3CC[N@@H+](C)[C@@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001307986341 1070270747 /nfs/dbraw/zinc/27/07/47/1070270747.db2.gz DYKFOVVOOPPJRA-DENIHFKCSA-N 1 1 452.624 3.508 20 0 JHADMO CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCC[N@@H+](C)C(C)C ZINC001314408890 1070273541 /nfs/dbraw/zinc/27/35/41/1070273541.db2.gz QXPSPLRGEAYAKH-FQEVSTJZSA-N 1 1 453.990 3.915 20 0 JHADMO CCOCc1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314410725 1070276954 /nfs/dbraw/zinc/27/69/54/1070276954.db2.gz VUXKEMUXLSESLP-WSTZPKSXSA-N 1 1 462.664 3.525 20 0 JHADMO CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308012014 1070278972 /nfs/dbraw/zinc/27/89/72/1070278972.db2.gz JPKOEUJNLWVNPT-QZTJIDSGSA-N 1 1 458.628 3.918 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001314413288 1070279210 /nfs/dbraw/zinc/27/92/10/1070279210.db2.gz RWCVLPPZVKJEGW-VQTJNVASSA-N 1 1 464.655 3.573 20 0 JHADMO 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CCOC(=O)c1csc(CC2CC[NH+](CC(=O)NCCc3c(C)cc(C)cc3C)CC2)n1 ZINC001308039698 1070289296 /nfs/dbraw/zinc/28/92/96/1070289296.db2.gz HBLHLWZOTNURDK-UHFFFAOYSA-N 1 1 457.640 3.858 20 0 JHADMO 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 1070292683 /nfs/dbraw/zinc/29/26/83/1070292683.db2.gz BBGRCJOKQTVCDG-UUOWRZLLSA-N 1 1 453.624 3.734 20 0 JHADMO 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 1070296535 /nfs/dbraw/zinc/29/65/35/1070296535.db2.gz QNSQOERQHVVPQX-BHIYHBOVSA-N 1 1 474.520 3.977 20 0 JHADMO 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 1070298381 /nfs/dbraw/zinc/29/83/81/1070298381.db2.gz QANXBDCLBMLDHS-XDESJKQVSA-N 1 1 465.635 3.591 20 0 JHADMO CC(C)(C)Oc1cccc(CNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001313240107 1070302532 /nfs/dbraw/zinc/30/25/32/1070302532.db2.gz AFBATHKZUUNMNR-DEOSSOPVSA-N 1 1 450.627 3.966 20 0 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O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(OC(F)F)c1 ZINC001309188888 1070593522 /nfs/dbraw/zinc/59/35/22/1070593522.db2.gz GHFPRIXPMDLAFU-OAHLLOKOSA-N 1 1 450.429 3.860 20 0 JHADMO O=S(=O)(CCCOCc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001309190076 1070594045 /nfs/dbraw/zinc/59/40/45/1070594045.db2.gz LKFQHGLAEXLKKZ-NRFANRHFSA-N 1 1 456.530 3.806 20 0 JHADMO O=S(=O)(CCCOCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001309190076 1070594054 /nfs/dbraw/zinc/59/40/54/1070594054.db2.gz LKFQHGLAEXLKKZ-NRFANRHFSA-N 1 1 456.530 3.806 20 0 JHADMO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001313525758 1070599565 /nfs/dbraw/zinc/59/95/65/1070599565.db2.gz LIGNSAUACFKLDU-NRFANRHFSA-N 1 1 483.661 3.833 20 0 JHADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC001309203256 1070604666 /nfs/dbraw/zinc/60/46/66/1070604666.db2.gz WCEDXVMIGPJSOG-FUHWJXTLSA-N 1 1 450.988 3.800 20 0 JHADMO CCSc1cccc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001314587303 1070610918 /nfs/dbraw/zinc/61/09/18/1070610918.db2.gz YHRIDSFHYPWGPA-OYRHEFFESA-N 1 1 480.682 3.970 20 0 JHADMO CCSc1cccc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001314587303 1070610926 /nfs/dbraw/zinc/61/09/26/1070610926.db2.gz YHRIDSFHYPWGPA-OYRHEFFESA-N 1 1 480.682 3.970 20 0 JHADMO CCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313530024 1070611464 /nfs/dbraw/zinc/61/14/64/1070611464.db2.gz WHOJWYKZRXBBEU-FYYLOGMGSA-N 1 1 473.637 3.762 20 0 JHADMO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001309219085 1070618206 /nfs/dbraw/zinc/61/82/06/1070618206.db2.gz MIAIIKMZLNMJDU-IFXJQAMLSA-N 1 1 457.017 3.940 20 0 JHADMO CCS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001314595513 1070635722 /nfs/dbraw/zinc/63/57/22/1070635722.db2.gz DTXPZFJYOSPDKE-PCCBWWKXSA-N 1 1 492.734 3.514 20 0 JHADMO 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 1070635933 /nfs/dbraw/zinc/63/59/33/1070635933.db2.gz NLGKVZCTNHJWBM-CLAROIROSA-N 1 1 497.775 3.803 20 0 JHADMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](CO)c2ccccc2)cc1 ZINC001309241833 1070637532 /nfs/dbraw/zinc/63/75/32/1070637532.db2.gz BVPAHXZHORLUHJ-KWXIBIRDSA-N 1 1 464.631 3.659 20 0 JHADMO COC(=O)C1CCC(S(=O)(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC001309245997 1070640960 /nfs/dbraw/zinc/64/09/60/1070640960.db2.gz YMDREPPESFGRDV-UHFFFAOYSA-N 1 1 458.624 3.682 20 0 JHADMO COC(=O)C1CCC(S(=O)(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC001309245997 1070640964 /nfs/dbraw/zinc/64/09/64/1070640964.db2.gz YMDREPPESFGRDV-UHFFFAOYSA-N 1 1 458.624 3.682 20 0 JHADMO CCS[C@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314598103 1070642541 /nfs/dbraw/zinc/64/25/41/1070642541.db2.gz RVEGADPRUIDBNV-UXHICEINSA-N 1 1 478.732 3.855 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247769 1070643331 /nfs/dbraw/zinc/64/33/31/1070643331.db2.gz BSSUKTUDECFAIK-KXBFYZLASA-N 1 1 455.393 3.918 20 0 JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313545185 1070648540 /nfs/dbraw/zinc/64/85/40/1070648540.db2.gz DTZIESJZWRDSND-WOJBJXKFSA-N 1 1 490.693 3.881 20 0 JHADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001313544984 1070647273 /nfs/dbraw/zinc/64/72/73/1070647273.db2.gz RPIKREKWMVIIGA-FQEVSTJZSA-N 1 1 490.693 3.882 20 0 JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313547241 1070658984 /nfs/dbraw/zinc/65/89/84/1070658984.db2.gz VZCZTMMJZLDDFR-RTWAWAEBSA-N 1 1 478.682 3.738 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H](OC)C2)c1 ZINC001313573196 1070687650 /nfs/dbraw/zinc/68/76/50/1070687650.db2.gz CXRHGHYBSVNUCC-DENIHFKCSA-N 1 1 496.681 3.631 20 0 JHADMO CCSCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001314614335 1070683176 /nfs/dbraw/zinc/68/31/76/1070683176.db2.gz LDHHACGBVWZGPN-LJQANCHMSA-N 1 1 489.686 3.795 20 0 JHADMO CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(C[N@@H+](C)CC)c3)CCO2)cn1 ZINC001313575931 1070691853 /nfs/dbraw/zinc/69/18/53/1070691853.db2.gz VYOUJTOGBGMUPD-HSZRJFAPSA-N 1 1 465.646 3.870 20 0 JHADMO CCSCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314619420 1070695305 /nfs/dbraw/zinc/69/53/05/1070695305.db2.gz BMHKDZYEZCUWSD-UHFFFAOYSA-N 1 1 455.676 3.970 20 0 JHADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+]1C1CCCCC1)C1CCCCC1 ZINC001313579143 1070697784 /nfs/dbraw/zinc/69/77/84/1070697784.db2.gz WFUDWLDANAUMDP-SIKLNZKXSA-N 1 1 480.723 3.844 20 0 JHADMO CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001313587178 1070712465 /nfs/dbraw/zinc/71/24/65/1070712465.db2.gz BZBZWRZKQWFJQQ-OYRHEFFESA-N 1 1 465.650 3.914 20 0 JHADMO CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309341908 1070710413 /nfs/dbraw/zinc/71/04/13/1070710413.db2.gz ICEFBJPYFGQTJL-IEZKXTBUSA-N 1 1 458.624 3.681 20 0 JHADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1 ZINC001309359542 1070721914 /nfs/dbraw/zinc/72/19/14/1070721914.db2.gz ZYUCKSWELSUFMI-XDZVQPMWSA-N 1 1 456.652 3.776 20 0 JHADMO CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588234 1070715268 /nfs/dbraw/zinc/71/52/68/1070715268.db2.gz RWEGGQAPRQWHRA-YLJYHZDGSA-N 1 1 498.068 3.871 20 0 JHADMO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC001313589112 1070716668 /nfs/dbraw/zinc/71/66/68/1070716668.db2.gz LYSGUEVCDRFJNV-JOCHJYFZSA-N 1 1 478.435 3.552 20 0 JHADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3F)cc2)C[C@H]1C ZINC001309355693 1070718391 /nfs/dbraw/zinc/71/83/91/1070718391.db2.gz JCJCCLWIMXJAKE-HDICACEKSA-N 1 1 452.567 3.594 20 0 JHADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001314628539 1070724878 /nfs/dbraw/zinc/72/48/78/1070724878.db2.gz KALUCYMAOKLUCU-QHCPKHFHSA-N 1 1 479.673 3.927 20 0 JHADMO CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313609378 1070733964 /nfs/dbraw/zinc/73/39/64/1070733964.db2.gz VXLKXNWLAZTSHT-RBUKOAKNSA-N 1 1 479.716 3.779 20 0 JHADMO CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C1CCC1 ZINC001313617603 1070741723 /nfs/dbraw/zinc/74/17/23/1070741723.db2.gz NOYQHBGTIFGYRF-BHIFYINESA-N 1 1 457.667 3.654 20 0 JHADMO 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 1070752047 /nfs/dbraw/zinc/75/20/47/1070752047.db2.gz KHHFLAKGSKRTJA-NJYVYQBISA-N 1 1 478.682 3.784 20 0 JHADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001309434466 1070767422 /nfs/dbraw/zinc/76/74/22/1070767422.db2.gz WLKOIWJYOOQFHP-FQEVSTJZSA-N 1 1 450.988 3.706 20 0 JHADMO C[NH+](C)[C@@H](Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1C(C)(C)C)c1ccccc1Cl ZINC001314654009 1070767811 /nfs/dbraw/zinc/76/78/11/1070767811.db2.gz PZWPNADZFOWVRR-FDDCHVKYSA-N 1 1 461.010 3.563 20 0 JHADMO C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1Cl ZINC001314657584 1070777366 /nfs/dbraw/zinc/77/73/66/1070777366.db2.gz YHUUFMGPGUTWOD-WOJBJXKFSA-N 1 1 494.949 3.988 20 0 JHADMO C[C@@]1(CNS(=O)(=O)CCc2ccccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC001309455615 1070780407 /nfs/dbraw/zinc/78/04/07/1070780407.db2.gz BAERDYUTQVZAOK-NRFANRHFSA-N 1 1 451.430 3.823 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CSc3ccccc32)CC1 ZINC001313642861 1070791532 /nfs/dbraw/zinc/79/15/32/1070791532.db2.gz CEKYNUOOVISXFB-HXUWFJFHSA-N 1 1 470.687 3.672 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CSc3ccccc32)CC1 ZINC001313642861 1070791543 /nfs/dbraw/zinc/79/15/43/1070791543.db2.gz CEKYNUOOVISXFB-HXUWFJFHSA-N 1 1 470.687 3.672 20 0 JHADMO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001314663732 1070792911 /nfs/dbraw/zinc/79/29/11/1070792911.db2.gz YTHNPWMTQDFTCQ-IBGZPJMESA-N 1 1 479.044 3.626 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(C)C)CC1 ZINC001313644713 1070798653 /nfs/dbraw/zinc/79/86/53/1070798653.db2.gz HMDQINDONIFVDB-XMMPIXPASA-N 1 1 498.672 3.607 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(C)C)CC1 ZINC001313644713 1070798666 /nfs/dbraw/zinc/79/86/66/1070798666.db2.gz HMDQINDONIFVDB-XMMPIXPASA-N 1 1 498.672 3.607 20 0 JHADMO CCN(CC)C(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313646100 1070806500 /nfs/dbraw/zinc/80/65/00/1070806500.db2.gz UPGGCIJWOWPCNA-UHFFFAOYSA-N 1 1 472.653 3.967 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001314669734 1070809855 /nfs/dbraw/zinc/80/98/55/1070809855.db2.gz JNXSGBDAIHVRPZ-OAQYLSRUSA-N 1 1 478.607 3.763 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)CC1 ZINC001314669371 1070807403 /nfs/dbraw/zinc/80/74/03/1070807403.db2.gz CQNQACMMRLCUDV-UHFFFAOYSA-N 1 1 468.690 3.743 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677041 1070823113 /nfs/dbraw/zinc/82/31/13/1070823113.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 1 1 468.690 3.787 20 0 JHADMO CN(c1nnc(-c2ccc[nH]2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314685856 1070842896 /nfs/dbraw/zinc/84/28/96/1070842896.db2.gz WDQOGKZILURORD-GSTQUKTASA-N 1 1 468.671 3.921 20 0 JHADMO CN(c1nnc(Cc2ccccn2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314695294 1070858087 /nfs/dbraw/zinc/85/80/87/1070858087.db2.gz GMEQWHKDJLGFRO-XMMPIXPASA-N 1 1 489.668 3.670 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC001309593468 1070873754 /nfs/dbraw/zinc/87/37/54/1070873754.db2.gz KIFPUTQNZYQCMG-TZIWHRDSSA-N 1 1 456.530 3.662 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC001309593669 1070873854 /nfs/dbraw/zinc/87/38/54/1070873854.db2.gz MLOOFMDXLYLCPJ-TZIWHRDSSA-N 1 1 472.529 3.542 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001313665428 1070880229 /nfs/dbraw/zinc/88/02/29/1070880229.db2.gz DVMKBLNEYUYGRE-GOTSBHOMSA-N 1 1 454.663 3.879 20 0 JHADMO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314710287 1070887813 /nfs/dbraw/zinc/88/78/13/1070887813.db2.gz RIRPDTQCAGFGAD-KRWDZBQOSA-N 1 1 467.456 3.755 20 0 JHADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001309626188 1070889122 /nfs/dbraw/zinc/88/91/22/1070889122.db2.gz QRGQLWGOQCVLFF-IBGZPJMESA-N 1 1 453.402 3.505 20 0 JHADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001309626188 1070889137 /nfs/dbraw/zinc/88/91/37/1070889137.db2.gz QRGQLWGOQCVLFF-IBGZPJMESA-N 1 1 453.402 3.505 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1F ZINC001314712439 1070896885 /nfs/dbraw/zinc/89/68/85/1070896885.db2.gz MWPDHYQVDYFDOM-UHFFFAOYSA-N 1 1 484.595 3.579 20 0 JHADMO C[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001309643087 1070897953 /nfs/dbraw/zinc/89/79/53/1070897953.db2.gz CTWHSTDENITMQB-QLFBSQMISA-N 1 1 458.447 3.719 20 0 JHADMO C[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001309643087 1070897976 /nfs/dbraw/zinc/89/79/76/1070897976.db2.gz CTWHSTDENITMQB-QLFBSQMISA-N 1 1 458.447 3.719 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCc1cc(F)cc(F)c1 ZINC001314712625 1070898881 /nfs/dbraw/zinc/89/88/81/1070898881.db2.gz SPTGAEDGHFCXCQ-UHFFFAOYSA-N 1 1 484.595 3.579 20 0 JHADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314714011 1070902576 /nfs/dbraw/zinc/90/25/76/1070902576.db2.gz POSWMNDGCYMWHO-HSZRJFAPSA-N 1 1 468.690 3.860 20 0 JHADMO CN(CC(C)(C)C)c1nnc(CCOc2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314714907 1070904742 /nfs/dbraw/zinc/90/47/42/1070904742.db2.gz ACTFATQUDRSYGK-RUZDIDTESA-N 1 1 473.687 3.590 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314718248 1070910161 /nfs/dbraw/zinc/91/01/61/1070910161.db2.gz CEXZBRUBSLPSIP-UHFFFAOYSA-N 1 1 453.509 3.837 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314720909 1070916320 /nfs/dbraw/zinc/91/63/20/1070916320.db2.gz GMTQLTHTXDHBBE-UHFFFAOYSA-N 1 1 454.022 3.656 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314720909 1070916330 /nfs/dbraw/zinc/91/63/30/1070916330.db2.gz GMTQLTHTXDHBBE-UHFFFAOYSA-N 1 1 454.022 3.656 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314720909 1070916344 /nfs/dbraw/zinc/91/63/44/1070916344.db2.gz GMTQLTHTXDHBBE-UHFFFAOYSA-N 1 1 454.022 3.656 20 0 JHADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001314720799 1070916738 /nfs/dbraw/zinc/91/67/38/1070916738.db2.gz VYWOJKAFHOZXFZ-PMACEKPBSA-N 1 1 467.536 3.809 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)c1ccco1 ZINC001313676429 1070921374 /nfs/dbraw/zinc/92/13/74/1070921374.db2.gz ZMMZVRJCWBUTNX-IBGZPJMESA-N 1 1 478.018 3.509 20 0 JHADMO CC(C)[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001309685280 1070922025 /nfs/dbraw/zinc/92/20/25/1070922025.db2.gz UUUMCZNIIGGBFZ-QFIPXVFZSA-N 1 1 454.011 3.998 20 0 JHADMO CC(C)[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001309685280 1070922043 /nfs/dbraw/zinc/92/20/43/1070922043.db2.gz UUUMCZNIIGGBFZ-QFIPXVFZSA-N 1 1 454.011 3.998 20 0 JHADMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC[N@@H+]1Cc1ccccc1 ZINC001309685327 1070922156 /nfs/dbraw/zinc/92/21/56/1070922156.db2.gz WBOAGQNPKFWDCI-QHCPKHFHSA-N 1 1 455.624 3.838 20 0 JHADMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC[N@H+]1Cc1ccccc1 ZINC001309685327 1070922167 /nfs/dbraw/zinc/92/21/67/1070922167.db2.gz WBOAGQNPKFWDCI-QHCPKHFHSA-N 1 1 455.624 3.838 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314725738 1070931265 /nfs/dbraw/zinc/93/12/65/1070931265.db2.gz RQXCPWMWZJFJER-UHFFFAOYSA-N 1 1 493.475 3.855 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314725738 1070931274 /nfs/dbraw/zinc/93/12/74/1070931274.db2.gz RQXCPWMWZJFJER-UHFFFAOYSA-N 1 1 493.475 3.855 20 0 JHADMO C[S@@](=O)(=NS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001309722869 1070939640 /nfs/dbraw/zinc/93/96/40/1070939640.db2.gz FPKQZUYEWHSJMK-OLILMLBXSA-N 1 1 453.674 3.554 20 0 JHADMO C[S@@](=O)(=NS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001309722869 1070939652 /nfs/dbraw/zinc/93/96/52/1070939652.db2.gz FPKQZUYEWHSJMK-OLILMLBXSA-N 1 1 453.674 3.554 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314726690 1070935105 /nfs/dbraw/zinc/93/51/05/1070935105.db2.gz SSDQZCKIKGMUNE-KRWDZBQOSA-N 1 1 476.423 3.791 20 0 JHADMO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001313682463 1070942730 /nfs/dbraw/zinc/94/27/30/1070942730.db2.gz JQTMKLIIDYUZLL-QGZVFWFLSA-N 1 1 468.415 3.930 20 0 JHADMO CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001313682582 1070943536 /nfs/dbraw/zinc/94/35/36/1070943536.db2.gz OVKSRYNZYVSTRS-LJQANCHMSA-N 1 1 495.441 3.636 20 0 JHADMO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001313687826 1070947505 /nfs/dbraw/zinc/94/75/05/1070947505.db2.gz DCOZARDWHGHGJI-IFMALSPDSA-N 1 1 486.661 3.953 20 0 JHADMO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001313688074 1070947545 /nfs/dbraw/zinc/94/75/45/1070947545.db2.gz HMYWZGRJFAMSMY-RTBURBONSA-N 1 1 464.655 3.553 20 0 JHADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)c1ccc(Cl)c(Cl)c1 ZINC001309744424 1070949333 /nfs/dbraw/zinc/94/93/33/1070949333.db2.gz SEFRHPGPCCVUNO-CYBMUJFWSA-N 1 1 453.294 3.896 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309754407 1070954318 /nfs/dbraw/zinc/95/43/18/1070954318.db2.gz RYANBAXIEKYCHY-DZGCQCFKSA-N 1 1 459.356 3.774 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001313694369 1070956677 /nfs/dbraw/zinc/95/66/77/1070956677.db2.gz IVTRVCSBAFXTOL-XMMPIXPASA-N 1 1 468.690 3.921 20 0 JHADMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)cc1F ZINC001309799345 1070973049 /nfs/dbraw/zinc/97/30/49/1070973049.db2.gz NXKSKKQMRINHGP-HTAPYJJXSA-N 1 1 452.979 3.842 20 0 JHADMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)cc1F ZINC001309799345 1070973057 /nfs/dbraw/zinc/97/30/57/1070973057.db2.gz NXKSKKQMRINHGP-HTAPYJJXSA-N 1 1 452.979 3.842 20 0 JHADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314748236 1070997006 /nfs/dbraw/zinc/99/70/06/1070997006.db2.gz CIZHRAFPLMUKOR-UHFFFAOYSA-N 1 1 494.606 3.894 20 0 JHADMO CN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314750493 1071000188 /nfs/dbraw/zinc/00/01/88/1071000188.db2.gz SMBUCODESLOCBW-SZPZYZBQSA-N 1 1 498.672 3.796 20 0 JHADMO O=S(=O)(c1cccc(Br)c1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309872430 1071002071 /nfs/dbraw/zinc/00/20/71/1071002071.db2.gz VTWQGZFYMNCIMV-SJORKVTESA-N 1 1 453.377 3.731 20 0 JHADMO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)C)n2CC2(N3CCOCC3)CCCCC2)C1 ZINC001313712294 1071008510 /nfs/dbraw/zinc/00/85/10/1071008510.db2.gz KIGFIWIWNTVVET-HSZRJFAPSA-N 1 1 460.711 3.680 20 0 JHADMO COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309914984 1071015396 /nfs/dbraw/zinc/01/53/96/1071015396.db2.gz HVEKNWXCEGJDSX-BJKOFHAPSA-N 1 1 464.587 3.728 20 0 JHADMO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001313719097 1071019846 /nfs/dbraw/zinc/01/98/46/1071019846.db2.gz XRMVJRGSTPHNFJ-HXUWFJFHSA-N 1 1 461.054 3.631 20 0 JHADMO CN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314760161 1071016295 /nfs/dbraw/zinc/01/62/95/1071016295.db2.gz YJRLFAVFYJWPKK-UHFFFAOYSA-N 1 1 459.591 3.805 20 0 JHADMO 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 1071017546 /nfs/dbraw/zinc/01/75/46/1071017546.db2.gz VVXNKDSOAZUJIT-NJDAHSKKSA-N 1 1 457.667 3.687 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313727755 1071037621 /nfs/dbraw/zinc/03/76/21/1071037621.db2.gz FXUSXYXBXNDAQN-DSNGMDLFSA-N 1 1 481.733 3.998 20 0 JHADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1 ZINC001309990884 1071040851 /nfs/dbraw/zinc/04/08/51/1071040851.db2.gz DHVOQVVMOPAENK-YADHBBJMSA-N 1 1 456.612 3.992 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313731431 1071047713 /nfs/dbraw/zinc/04/77/13/1071047713.db2.gz LQRJZMWCQYHHSG-ZWKOTPCHSA-N 1 1 468.067 3.882 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(CCc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001313732366 1071049622 /nfs/dbraw/zinc/04/96/22/1071049622.db2.gz DVNGPWQRJLTGCL-QHCPKHFHSA-N 1 1 460.047 3.871 20 0 JHADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001310000821 1071049706 /nfs/dbraw/zinc/04/97/06/1071049706.db2.gz ODIDJFFPFMSQMA-IBGZPJMESA-N 1 1 450.649 3.882 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001313734159 1071053718 /nfs/dbraw/zinc/05/37/18/1071053718.db2.gz MHMBESPUNYHPCK-FPOVZHCZSA-N 1 1 491.677 3.856 20 0 JHADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2)cc1 ZINC001310004058 1071052054 /nfs/dbraw/zinc/05/20/54/1071052054.db2.gz GFXAIGBGQBUZDA-SFHVURJKSA-N 1 1 454.571 3.647 20 0 JHADMO CNC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001310004951 1071052481 /nfs/dbraw/zinc/05/24/81/1071052481.db2.gz MXCFMMXBHYHHCC-LOSJGSFVSA-N 1 1 458.562 3.845 20 0 JHADMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001310014580 1071058823 /nfs/dbraw/zinc/05/88/23/1071058823.db2.gz ZIQXSJPFWQNLOQ-IFMALSPDSA-N 1 1 450.583 3.581 20 0 JHADMO C[C@H]1C[C@H](CCNC(=O)Nc2ccccc2C(=O)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001310014583 1071058844 /nfs/dbraw/zinc/05/88/44/1071058844.db2.gz ZIQXSJPFWQNLOQ-UNMCSNQZSA-N 1 1 450.583 3.581 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313734454 1071054313 /nfs/dbraw/zinc/05/43/13/1071054313.db2.gz RHWFVEGXBKJYAN-LADGPHEKSA-N 1 1 482.673 3.631 20 0 JHADMO CCN(Cc1ccc(OC)cc1OC)c1nnc(-c2cccc(C)n2)n1CCn1cc[nH+]c1C ZINC001313738469 1071062187 /nfs/dbraw/zinc/06/21/87/1071062187.db2.gz SXOQFHOPILIYKS-UHFFFAOYSA-N 1 1 461.570 3.897 20 0 JHADMO 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CN(CCc1cnccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](C)C1CCCCC1 ZINC001314835424 1071176714 /nfs/dbraw/zinc/17/67/14/1071176714.db2.gz RALRUROGICYSBQ-UHFFFAOYSA-N 1 1 469.584 3.881 20 0 JHADMO CCN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001313790301 1071182830 /nfs/dbraw/zinc/18/28/30/1071182830.db2.gz ATYALXIYQZBBCF-WOJBJXKFSA-N 1 1 458.676 3.765 20 0 JHADMO CN(CCCc1ccccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314840000 1071185982 /nfs/dbraw/zinc/18/59/82/1071185982.db2.gz RJLBDNZTGGAECI-OAQYLSRUSA-N 1 1 476.629 3.510 20 0 JHADMO CC[N@@H+](CCC1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1)CC1CC1 ZINC001313800021 1071202622 /nfs/dbraw/zinc/20/26/22/1071202622.db2.gz NTCIQFNPDDXXGA-NRFANRHFSA-N 1 1 460.711 3.635 20 0 JHADMO CC[N@@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)C(C)C ZINC001313801080 1071204804 /nfs/dbraw/zinc/20/48/04/1071204804.db2.gz BBSANKFMNNDMBV-VJBMBRPKSA-N 1 1 475.609 3.672 20 0 JHADMO 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AWZDJGOMVUNVAP-UHFFFAOYSA-N 1 1 486.686 3.707 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1CCC1=CCCCC1 ZINC001314871386 1071283383 /nfs/dbraw/zinc/28/33/83/1071283383.db2.gz AWZDJGOMVUNVAP-UHFFFAOYSA-N 1 1 486.686 3.707 20 0 JHADMO CC[N@@H+](CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001313822457 1071286225 /nfs/dbraw/zinc/28/62/25/1071286225.db2.gz RWRYEYKQMCVOMT-UHFFFAOYSA-N 1 1 498.569 3.951 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 ZINC001314873297 1071289577 /nfs/dbraw/zinc/28/95/77/1071289577.db2.gz WXXRJTLDDNWVLB-UHFFFAOYSA-N 1 1 472.996 3.652 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 ZINC001314873297 1071289585 /nfs/dbraw/zinc/28/95/85/1071289585.db2.gz WXXRJTLDDNWVLB-UHFFFAOYSA-N 1 1 472.996 3.652 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314877136 1071294769 /nfs/dbraw/zinc/29/47/69/1071294769.db2.gz HBUGFEWBSBKLLC-UHFFFAOYSA-N 1 1 481.645 3.697 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314877136 1071294782 /nfs/dbraw/zinc/29/47/82/1071294782.db2.gz HBUGFEWBSBKLLC-UHFFFAOYSA-N 1 1 481.645 3.697 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314877651 1071296500 /nfs/dbraw/zinc/29/65/00/1071296500.db2.gz RSDYUQGDBZMHFV-UHFFFAOYSA-N 1 1 450.027 3.961 20 0 JHADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001310318976 1071301308 /nfs/dbraw/zinc/30/13/08/1071301308.db2.gz ASIODVARRJDZEP-PGRDOPGGSA-N 1 1 456.612 3.644 20 0 JHADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC001310324330 1071307531 /nfs/dbraw/zinc/30/75/31/1071307531.db2.gz BXLLDOFKCRGRJW-UHFFFAOYSA-N 1 1 452.599 3.778 20 0 JHADMO 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 ZINC001313834477 1071311637 /nfs/dbraw/zinc/31/16/37/1071311637.db2.gz MEAJSSYFAQMECN-RZUBCFFCSA-N 1 1 487.693 3.549 20 0 JHADMO CN(CCOCC1CC1)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001314884658 1071312420 /nfs/dbraw/zinc/31/24/20/1071312420.db2.gz XJVRWIOLQPVLKN-UHFFFAOYSA-N 1 1 478.410 3.971 20 0 JHADMO COC(=O)c1cc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c(OC)c1 ZINC001310373440 1071349229 /nfs/dbraw/zinc/34/92/29/1071349229.db2.gz UQOKHRHNCOCESG-RUZDIDTESA-N 1 1 453.539 3.620 20 0 JHADMO COC(=O)c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C(=O)OC ZINC001310380669 1071355124 /nfs/dbraw/zinc/35/51/24/1071355124.db2.gz PIOQZLOPMHXEDR-YPGOJHLTSA-N 1 1 453.539 3.538 20 0 JHADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC[C@@H](C)c3ccc(OC)cc3)cc2)CC1 ZINC001310386319 1071358318 /nfs/dbraw/zinc/35/83/18/1071358318.db2.gz NEEDVSKICQCASK-HXUWFJFHSA-N 1 1 452.599 3.717 20 0 JHADMO 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 1071360733 /nfs/dbraw/zinc/36/07/33/1071360733.db2.gz BJOBTLIPEITNKW-LUKYLMHMSA-N 1 1 465.440 3.770 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001313859516 1071364408 /nfs/dbraw/zinc/36/44/08/1071364408.db2.gz JYUFTNQYIPEPOR-HKBOAZHASA-N 1 1 477.613 3.620 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@@H]1C ZINC001313859619 1071364560 /nfs/dbraw/zinc/36/45/60/1071364560.db2.gz HHPWMCWFEPBFAT-OALUTQOASA-N 1 1 494.478 3.988 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001314924848 1071367315 /nfs/dbraw/zinc/36/73/15/1071367315.db2.gz QBUBYSMUAPJMFM-QHCPKHFHSA-N 1 1 466.674 3.666 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001314924363 1071367423 /nfs/dbraw/zinc/36/74/23/1071367423.db2.gz LZIMPYUVWQLIED-FQEVSTJZSA-N 1 1 498.569 3.801 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001314925269 1071367934 /nfs/dbraw/zinc/36/79/34/1071367934.db2.gz VOSDVQXAHVJTFY-HXUWFJFHSA-N 1 1 460.667 3.845 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)C[C@H]1C ZINC001313860370 1071368998 /nfs/dbraw/zinc/36/89/98/1071368998.db2.gz JTAWQCQRGUGUOM-CEXWTWQISA-N 1 1 487.052 3.784 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313860487 1071370659 /nfs/dbraw/zinc/37/06/59/1071370659.db2.gz LGMVDOFOFJNRKO-ZWKOTPCHSA-N 1 1 478.588 3.628 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314929725 1071372997 /nfs/dbraw/zinc/37/29/97/1071372997.db2.gz YFJBKDWPVHWFAB-HNAYVOBHSA-N 1 1 463.001 3.560 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001313861634 1071374297 /nfs/dbraw/zinc/37/42/97/1071374297.db2.gz PVXWCAAGKPQVEP-IRXDYDNUSA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001313861634 1071374309 /nfs/dbraw/zinc/37/43/09/1071374309.db2.gz PVXWCAAGKPQVEP-IRXDYDNUSA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313862252 1071376196 /nfs/dbraw/zinc/37/61/96/1071376196.db2.gz SIFKPABZZNXWMJ-QZTJIDSGSA-N 1 1 498.031 3.749 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2F)C[C@@H]1C ZINC001313862237 1071376387 /nfs/dbraw/zinc/37/63/87/1071376387.db2.gz SDLQAARIBMSBPF-RBUKOAKNSA-N 1 1 497.644 3.917 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862659 1071377667 /nfs/dbraw/zinc/37/76/67/1071377667.db2.gz IMDNTCRGWWRGER-OALUTQOASA-N 1 1 494.644 3.993 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313863673 1071382634 /nfs/dbraw/zinc/38/26/34/1071382634.db2.gz WJWFYYOWEQSYGP-LEWJYISDSA-N 1 1 478.645 3.661 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313862773 1071378146 /nfs/dbraw/zinc/37/81/46/1071378146.db2.gz RJPHEXPGPHBFDW-SQNIBIBYSA-N 1 1 469.552 3.988 20 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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 1071479843 /nfs/dbraw/zinc/47/98/43/1071479843.db2.gz XPQOUKZOTFAEAU-SVVKQXANSA-N 1 1 483.661 3.517 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@@H]1C ZINC001313889325 1071480052 /nfs/dbraw/zinc/48/00/52/1071480052.db2.gz XPCGFFYSWXVYIN-OALUTQOASA-N 1 1 469.659 3.703 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313890100 1071481316 /nfs/dbraw/zinc/48/13/16/1071481316.db2.gz MGRUEOJMJCLTJR-OAHLLOKOSA-N 1 1 467.445 3.945 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 ZINC001313892243 1071486940 /nfs/dbraw/zinc/48/69/40/1071486940.db2.gz CVEHTJVFNCBIKH-KRWDZBQOSA-N 1 1 465.545 3.691 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313890409 1071482259 /nfs/dbraw/zinc/48/22/59/1071482259.db2.gz YLBVEVWFHNBJTE-PKTZIBPZSA-N 1 1 480.701 3.896 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N(C)Cc2scnc2C)C1 ZINC001313890747 1071483251 /nfs/dbraw/zinc/48/32/51/1071483251.db2.gz PCQAYLHOXHBPDW-GOSISDBHSA-N 1 1 456.616 3.609 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001313890927 1071483301 /nfs/dbraw/zinc/48/33/01/1071483301.db2.gz QPPDJEZYOPVKLK-KRWDZBQOSA-N 1 1 467.536 3.986 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001313891127 1071484707 /nfs/dbraw/zinc/48/47/07/1071484707.db2.gz SPKVGPNVLNUFNF-IFMALSPDSA-N 1 1 491.727 3.624 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(C)C)CC1 ZINC001313892328 1071487005 /nfs/dbraw/zinc/48/70/05/1071487005.db2.gz DSLYTJIGAGERPT-QFIPXVFZSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313892902 1071488640 /nfs/dbraw/zinc/48/86/40/1071488640.db2.gz MMEFOFNNDPWZSA-LEWJYISDSA-N 1 1 485.677 3.709 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313893750 1071490924 /nfs/dbraw/zinc/49/09/24/1071490924.db2.gz PNGCZDUWUJRKED-HXUWFJFHSA-N 1 1 474.053 3.713 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313895838 1071497796 /nfs/dbraw/zinc/49/77/96/1071497796.db2.gz KNYKDCZXLSHPKI-UYAOXDASSA-N 1 1 467.536 3.986 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313894247 1071492651 /nfs/dbraw/zinc/49/26/51/1071492651.db2.gz VADUEEHQDDXDQT-BBWFWOEESA-N 1 1 478.435 3.814 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313894845 1071494991 /nfs/dbraw/zinc/49/49/91/1071494991.db2.gz DQUDTUJIRNWQGL-MJGOQNOKSA-N 1 1 458.676 3.578 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 ZINC001313895297 1071496465 /nfs/dbraw/zinc/49/64/65/1071496465.db2.gz ZPSBFMWPXPCVSI-HNNXBMFYSA-N 1 1 450.410 3.613 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313895360 1071496485 /nfs/dbraw/zinc/49/64/85/1071496485.db2.gz HGTBCNIBHITMHP-QHCPKHFHSA-N 1 1 452.647 3.832 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001313897523 1071502848 /nfs/dbraw/zinc/50/28/48/1071502848.db2.gz XUOUVYMWRZHDRK-IFMALSPDSA-N 1 1 468.646 3.521 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313896073 1071498823 /nfs/dbraw/zinc/49/88/23/1071498823.db2.gz CSADNLCQMNKQSL-RBUKOAKNSA-N 1 1 495.441 3.810 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313895861 1071498837 /nfs/dbraw/zinc/49/88/37/1071498837.db2.gz LFAJOMIJYWEREA-OFNKIYASSA-N 1 1 482.673 3.815 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001313896475 1071500421 /nfs/dbraw/zinc/50/04/21/1071500421.db2.gz QLQSFIKUTXWPHV-FQEVSTJZSA-N 1 1 456.541 3.844 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001314989421 1071503216 /nfs/dbraw/zinc/50/32/16/1071503216.db2.gz LBLIWYYZPOPCQG-NRFANRHFSA-N 1 1 470.637 3.625 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313897428 1071502018 /nfs/dbraw/zinc/50/20/18/1071502018.db2.gz JLDBIORTCCFJBG-FGZHOGPDSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313897681 1071503293 /nfs/dbraw/zinc/50/32/93/1071503293.db2.gz WKVHABHWDMZZSU-KRWDZBQOSA-N 1 1 492.491 3.942 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313897674 1071503533 /nfs/dbraw/zinc/50/35/33/1071503533.db2.gz WJWKEAGGXNZKRP-FGZHOGPDSA-N 1 1 496.700 3.596 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](CCOC)C2)C1 ZINC001313899639 1071507855 /nfs/dbraw/zinc/50/78/55/1071507855.db2.gz WUIJELMEIDYZCW-HKBOAZHASA-N 1 1 476.666 3.555 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001313899228 1071507900 /nfs/dbraw/zinc/50/79/00/1071507900.db2.gz HRXNADQUGDPNIS-QGZVFWFLSA-N 1 1 465.465 3.997 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCSC ZINC001313900962 1071510275 /nfs/dbraw/zinc/51/02/75/1071510275.db2.gz SVUFJVMPIVRPIH-FPOVZHCZSA-N 1 1 472.707 3.514 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC001313901025 1071511016 /nfs/dbraw/zinc/51/10/16/1071511016.db2.gz UQLODDILNPPJSD-HSZRJFAPSA-N 1 1 484.664 3.941 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902511 1071513466 /nfs/dbraw/zinc/51/34/66/1071513466.db2.gz ZHPIFRCOGZLLOF-FQEVSTJZSA-N 1 1 493.574 3.904 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903154 1071514968 /nfs/dbraw/zinc/51/49/68/1071514968.db2.gz CEHKLTDQLYUZAQ-QFIPXVFZSA-N 1 1 467.662 3.527 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313903782 1071516060 /nfs/dbraw/zinc/51/60/60/1071516060.db2.gz RYFWDPNFQJWFNS-QZTJIDSGSA-N 1 1 452.525 3.681 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CCO)Cc1ccccc1 ZINC001313904464 1071518570 /nfs/dbraw/zinc/51/85/70/1071518570.db2.gz IEOQGNFDGQZWTM-ZRBLBEILSA-N 1 1 498.672 3.532 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313905072 1071520585 /nfs/dbraw/zinc/52/05/85/1071520585.db2.gz SQSAQHGNHXWBGI-XZOQPEGZSA-N 1 1 482.673 3.651 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001313906447 1071524298 /nfs/dbraw/zinc/52/42/98/1071524298.db2.gz WGSZCRARZUMBFC-NLWGTHIKSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001313906447 1071524306 /nfs/dbraw/zinc/52/43/06/1071524306.db2.gz WGSZCRARZUMBFC-NLWGTHIKSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907035 1071525718 /nfs/dbraw/zinc/52/57/18/1071525718.db2.gz VTDGHGDQERQJND-GOSISDBHSA-N 1 1 466.964 3.581 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313905563 1071522051 /nfs/dbraw/zinc/52/20/51/1071522051.db2.gz VMMXFGXZNMZUTJ-QFUCXCTJSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906845 1071525741 /nfs/dbraw/zinc/52/57/41/1071525741.db2.gz SAJHYRPMPFYSGY-IBGZPJMESA-N 1 1 469.634 3.584 20 0 JHADMO 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 1071526748 /nfs/dbraw/zinc/52/67/48/1071526748.db2.gz YCXCUILXKFIPHR-VNTMZGSJSA-N 1 1 476.666 3.537 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313907238 1071526800 /nfs/dbraw/zinc/52/68/00/1071526800.db2.gz ARLCDNJVNZDIKZ-HXOBKFHXSA-N 1 1 463.001 3.574 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313907514 1071528066 /nfs/dbraw/zinc/52/80/66/1071528066.db2.gz HBPZMKJCUVZDQE-PKOBYXMFSA-N 1 1 489.462 3.639 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313907578 1071528259 /nfs/dbraw/zinc/52/82/59/1071528259.db2.gz IIGXHTBQIYPSTO-UGKGYDQZSA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001313909121 1071531858 /nfs/dbraw/zinc/53/18/58/1071531858.db2.gz NNQBSBRKBBQXAV-IBGZPJMESA-N 1 1 476.572 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313910034 1071533876 /nfs/dbraw/zinc/53/38/76/1071533876.db2.gz UMMLKIWKGMJRHH-JPYJTQIMSA-N 1 1 489.462 3.592 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313910430 1071535243 /nfs/dbraw/zinc/53/52/43/1071535243.db2.gz KCYBFUJNLYCEMP-QFIPXVFZSA-N 1 1 451.619 3.977 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313913080 1071541830 /nfs/dbraw/zinc/54/18/30/1071541830.db2.gz KJBUAYWDDDOGMQ-IFMALSPDSA-N 1 1 482.673 3.731 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313911914 1071538304 /nfs/dbraw/zinc/53/83/04/1071538304.db2.gz FNHCPGYAHHUMCJ-AZUAARDMSA-N 1 1 467.536 3.807 20 0 JHADMO 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 1071540050 /nfs/dbraw/zinc/54/00/50/1071540050.db2.gz HPKWHOJSMQZIKV-AKHDSKFASA-N 1 1 473.584 3.839 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001313912877 1071541069 /nfs/dbraw/zinc/54/10/69/1071541069.db2.gz OIDJWMBKYUHAEL-UNMCSNQZSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313914075 1071546187 /nfs/dbraw/zinc/54/61/87/1071546187.db2.gz QOKBIJYIIBTJPO-RPWUZVMVSA-N 1 1 455.647 3.682 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315021661 1071543094 /nfs/dbraw/zinc/54/30/94/1071543094.db2.gz OWUKQALWDRUEQP-SFHVURJKSA-N 1 1 459.038 3.683 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313914694 1071547942 /nfs/dbraw/zinc/54/79/42/1071547942.db2.gz SYJNPTQFHARSET-GHTZIAJQSA-N 1 1 482.570 3.955 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313913705 1071544104 /nfs/dbraw/zinc/54/41/04/1071544104.db2.gz LIUFQLACIDACRI-ICSRJNTNSA-N 1 1 498.569 3.943 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313913707 1071544122 /nfs/dbraw/zinc/54/41/22/1071544122.db2.gz LIUFQLACIDACRI-QUCCMNQESA-N 1 1 498.569 3.943 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919520 1071557054 /nfs/dbraw/zinc/55/70/54/1071557054.db2.gz CFVCSPWFBNRKNZ-LJQANCHMSA-N 1 1 490.494 3.619 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921002 1071560572 /nfs/dbraw/zinc/56/05/72/1071560572.db2.gz NJWDTUCTUGKSEJ-SFHVURJKSA-N 1 1 478.563 3.679 20 0 JHADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921494 1071561934 /nfs/dbraw/zinc/56/19/34/1071561934.db2.gz MXAIFPYBNDJRQB-JTHBVZDNSA-N 1 1 482.673 3.653 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)CC1 ZINC001313924435 1071570279 /nfs/dbraw/zinc/57/02/79/1071570279.db2.gz FVNNUMYKGPEBOR-MRXNPFEDSA-N 1 1 485.421 3.825 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@H]3CC[C@@](C)(CC)O3)CC2)CC1 ZINC001313923777 1071568175 /nfs/dbraw/zinc/56/81/75/1071568175.db2.gz SROCMNPYYDADCC-YIXXDRMTSA-N 1 1 488.721 3.595 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313925676 1071574235 /nfs/dbraw/zinc/57/42/35/1071574235.db2.gz UNSYGJLRDOCRNX-LJQANCHMSA-N 1 1 498.697 3.995 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313926303 1071576362 /nfs/dbraw/zinc/57/63/62/1071576362.db2.gz WZDWSTMOGCXTKI-PWRODBHTSA-N 1 1 470.662 3.613 20 0 JHADMO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001315044966 1071576600 /nfs/dbraw/zinc/57/66/00/1071576600.db2.gz LKQZFNCNDJHGMC-OALUTQOASA-N 1 1 459.038 3.825 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927762 1071581199 /nfs/dbraw/zinc/58/11/99/1071581199.db2.gz LUKPAQQIJKYCKG-ZCYQVOJMSA-N 1 1 452.691 3.962 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927359 1071579855 /nfs/dbraw/zinc/57/98/55/1071579855.db2.gz JXGMRQLEPYMVAY-IBGZPJMESA-N 1 1 499.107 3.535 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928615 1071584472 /nfs/dbraw/zinc/58/44/72/1071584472.db2.gz MKQVJPCXHBOPAH-GOSISDBHSA-N 1 1 460.617 3.734 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930078 1071588268 /nfs/dbraw/zinc/58/82/68/1071588268.db2.gz VAGBLAMIPFKTLN-NZQKXSOJSA-N 1 1 474.694 3.612 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313930954 1071590760 /nfs/dbraw/zinc/59/07/60/1071590760.db2.gz OWCIMGJNWJHRBF-QZTJIDSGSA-N 1 1 486.558 3.972 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931339 1071591936 /nfs/dbraw/zinc/59/19/36/1071591936.db2.gz XYALSEZLNJEXTL-IFMALSPDSA-N 1 1 458.651 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCC(OC)CC2)C[C@H]1C ZINC001313934864 1071603584 /nfs/dbraw/zinc/60/35/84/1071603584.db2.gz UUDJGJRHDDVFPO-HVIUMASTSA-N 1 1 468.646 3.883 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934721 1071602958 /nfs/dbraw/zinc/60/29/58/1071602958.db2.gz VCVCCTUTSYJMJP-PGRDOPGGSA-N 1 1 452.603 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)C[C@@H]1C ZINC001313935535 1071605484 /nfs/dbraw/zinc/60/54/84/1071605484.db2.gz HDDQWQQMLLGNFA-HNNXBMFYSA-N 1 1 453.509 3.835 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313935459 1071606079 /nfs/dbraw/zinc/60/60/79/1071606079.db2.gz WYYMLHSSAZQIKA-AOMKIAJQSA-N 1 1 479.467 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@@H]1C ZINC001313936745 1071609732 /nfs/dbraw/zinc/60/97/32/1071609732.db2.gz IDCKIILHXGFZGE-ZWKOTPCHSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313935786 1071606738 /nfs/dbraw/zinc/60/67/38/1071606738.db2.gz YQYPZHHJQYOWQL-IIBYNOLFSA-N 1 1 498.491 3.721 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001313935814 1071607089 /nfs/dbraw/zinc/60/70/89/1071607089.db2.gz ZHPJYNCRPGTKJR-DHMKHTPVSA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001313935814 1071607094 /nfs/dbraw/zinc/60/70/94/1071607094.db2.gz ZHPJYNCRPGTKJR-DHMKHTPVSA-N 1 1 498.466 3.678 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607386 /nfs/dbraw/zinc/60/73/86/1071607386.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607389 /nfs/dbraw/zinc/60/73/89/1071607389.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 1 1 479.442 3.861 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313937335 1071610922 /nfs/dbraw/zinc/61/09/22/1071610922.db2.gz LGAFCXCNSVPJBE-MRXNPFEDSA-N 1 1 452.525 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)OC)C[C@H]1C ZINC001313940601 1071615470 /nfs/dbraw/zinc/61/54/70/1071615470.db2.gz OPRSIMKYWRRCHQ-RTBURBONSA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313940531 1071615538 /nfs/dbraw/zinc/61/55/38/1071615538.db2.gz NDBTZLPSDISBDG-LJQANCHMSA-N 1 1 488.558 3.978 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313938513 1071612153 /nfs/dbraw/zinc/61/21/53/1071612153.db2.gz JXLUULDKGZBINR-SFHVURJKSA-N 1 1 480.579 3.758 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313939006 1071612599 /nfs/dbraw/zinc/61/25/99/1071612599.db2.gz ZQBSENKGRUYRBF-FDFHNCONSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@H]1C ZINC001313938940 1071612668 /nfs/dbraw/zinc/61/26/68/1071612668.db2.gz YPWONNPKPXEZIX-QAPCUYQASA-N 1 1 471.549 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313938717 1071612825 /nfs/dbraw/zinc/61/28/25/1071612825.db2.gz WYLYMDXULZCITE-LSDHHAIUSA-N 1 1 454.438 3.575 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC001313939666 1071613502 /nfs/dbraw/zinc/61/35/02/1071613502.db2.gz SHPUCUJWEXQSQD-HNNXBMFYSA-N 1 1 461.401 3.684 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614138 /nfs/dbraw/zinc/61/41/38/1071614138.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 1 1 452.672 3.981 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614140 /nfs/dbraw/zinc/61/41/40/1071614140.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 1 1 452.672 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@H]1C ZINC001313941363 1071616809 /nfs/dbraw/zinc/61/68/09/1071616809.db2.gz BQNFHMVVQHPHRS-HXUWFJFHSA-N 1 1 465.646 3.890 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313941286 1071616995 /nfs/dbraw/zinc/61/69/95/1071616995.db2.gz TWVQILVNASIHNG-FQEVSTJZSA-N 1 1 486.064 3.758 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001313941659 1071618169 /nfs/dbraw/zinc/61/81/69/1071618169.db2.gz FCCBEBHAQCXOBP-SFHVURJKSA-N 1 1 487.699 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313943110 1071621886 /nfs/dbraw/zinc/62/18/86/1071621886.db2.gz PVQBRGBBUNCCSW-FQEVSTJZSA-N 1 1 472.634 3.563 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945536 1071626839 /nfs/dbraw/zinc/62/68/39/1071626839.db2.gz IYOAPJPEWHTTPR-RTBURBONSA-N 1 1 474.625 3.699 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945896 1071627264 /nfs/dbraw/zinc/62/72/64/1071627264.db2.gz WZMCWMBNNNCQID-RBBKRZOGSA-N 1 1 458.626 3.820 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC001313943297 1071622636 /nfs/dbraw/zinc/62/26/36/1071622636.db2.gz RHIHXNSBEHKIAZ-KRWDZBQOSA-N 1 1 493.990 3.973 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946202 1071627841 /nfs/dbraw/zinc/62/78/41/1071627841.db2.gz ACEJDBBUCCKZEF-JOCHJYFZSA-N 1 1 472.653 3.691 20 0 JHADMO 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 1071629860 /nfs/dbraw/zinc/62/98/60/1071629860.db2.gz CGRVEAXPUVLXKU-CEWLAPEOSA-N 1 1 490.693 3.594 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629898 /nfs/dbraw/zinc/62/98/98/1071629898.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 1 1 484.689 3.764 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629901 /nfs/dbraw/zinc/62/99/01/1071629901.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 1 1 484.689 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313947077 1071630847 /nfs/dbraw/zinc/63/08/47/1071630847.db2.gz VMXXWYPYAZUAIF-LJQANCHMSA-N 1 1 473.065 3.844 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc4cccnc43)nnc2N(C)CCC(F)F)CC1 ZINC001313947988 1071633313 /nfs/dbraw/zinc/63/33/13/1071633313.db2.gz BDQIXGSDLMXTFV-LJQANCHMSA-N 1 1 471.600 3.858 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)Cc2ccccn2)CC1 ZINC001313948664 1071634459 /nfs/dbraw/zinc/63/44/59/1071634459.db2.gz FLUJWJNQZXNVLS-FQEVSTJZSA-N 1 1 498.075 3.912 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001313948681 1071634557 /nfs/dbraw/zinc/63/45/57/1071634557.db2.gz FOYOJMXOXFPXOM-HXUWFJFHSA-N 1 1 472.678 3.904 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949167 1071635891 /nfs/dbraw/zinc/63/58/91/1071635891.db2.gz VOSQZIGJBNTXKS-HSZRJFAPSA-N 1 1 498.716 3.733 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949574 1071636925 /nfs/dbraw/zinc/63/69/25/1071636925.db2.gz ZNKSOXDVEAWEIH-GOSISDBHSA-N 1 1 470.609 3.821 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313949736 1071636956 /nfs/dbraw/zinc/63/69/56/1071636956.db2.gz RAEPJABKUPNFTG-MRXNPFEDSA-N 1 1 489.393 3.732 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313950440 1071638194 /nfs/dbraw/zinc/63/81/94/1071638194.db2.gz PHYLZGJCAMTKJC-HKUYNNGSSA-N 1 1 468.568 3.899 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313951248 1071641229 /nfs/dbraw/zinc/64/12/29/1071641229.db2.gz SCNKVBSQARKDHL-SFHVURJKSA-N 1 1 475.479 3.970 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952188 1071644885 /nfs/dbraw/zinc/64/48/85/1071644885.db2.gz OPHXNNRUXKJVEI-LEWJYISDSA-N 1 1 486.709 3.740 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313952504 1071645785 /nfs/dbraw/zinc/64/57/85/1071645785.db2.gz FNVCFSGYAVUYQE-KNQAVFIVSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313952707 1071646507 /nfs/dbraw/zinc/64/65/07/1071646507.db2.gz AMYALSVGOCMANW-HXUWFJFHSA-N 1 1 498.594 3.812 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952958 1071647030 /nfs/dbraw/zinc/64/70/30/1071647030.db2.gz VKDAWKUQPLBSGQ-ZLNRFVROSA-N 1 1 486.730 3.766 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313953680 1071649544 /nfs/dbraw/zinc/64/95/44/1071649544.db2.gz HSBXLVVSYUBBRO-HSZRJFAPSA-N 1 1 468.690 3.922 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955934 1071656705 /nfs/dbraw/zinc/65/67/05/1071656705.db2.gz IZLSPASGEVNMNN-HXUWFJFHSA-N 1 1 469.703 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954434 1071651834 /nfs/dbraw/zinc/65/18/34/1071651834.db2.gz QSVXKUHVKNNUCN-QFIPXVFZSA-N 1 1 460.692 3.944 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313954596 1071652481 /nfs/dbraw/zinc/65/24/81/1071652481.db2.gz RZEVSDMNUHGSQM-OAQYLSRUSA-N 1 1 478.607 3.907 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313956212 1071657282 /nfs/dbraw/zinc/65/72/82/1071657282.db2.gz XTNXRSNGPGXWQU-PKTZIBPZSA-N 1 1 461.658 3.854 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001313956004 1071657553 /nfs/dbraw/zinc/65/75/53/1071657553.db2.gz XAGUZFKSJMOCRK-NHCUHLMSSA-N 1 1 475.081 3.735 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958087 1071662493 /nfs/dbraw/zinc/66/24/93/1071662493.db2.gz TVWZPJATRNKEHW-DENIHFKCSA-N 1 1 491.775 3.629 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313956616 1071657942 /nfs/dbraw/zinc/65/79/42/1071657942.db2.gz ZBHYDXPASZRLNP-NRFANRHFSA-N 1 1 477.657 3.567 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313957454 1071660661 /nfs/dbraw/zinc/66/06/61/1071660661.db2.gz HCKVSNQGLBLHMK-UHFFFAOYSA-N 1 1 462.646 3.523 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957649 1071661148 /nfs/dbraw/zinc/66/11/48/1071661148.db2.gz REIHMPNYTFTFHA-SFHVURJKSA-N 1 1 467.008 3.641 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313957738 1071661265 /nfs/dbraw/zinc/66/12/65/1071661265.db2.gz YSDSLYWYWOVXAD-UHFFFAOYSA-N 1 1 466.596 3.948 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957956 1071662376 /nfs/dbraw/zinc/66/23/76/1071662376.db2.gz SRTWGGXVOZBXKH-RLWLMLJZSA-N 1 1 488.746 3.845 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313958081 1071663141 /nfs/dbraw/zinc/66/31/41/1071663141.db2.gz PCZOTQVNPFFCTJ-UHFFFAOYSA-N 1 1 476.000 3.698 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313958941 1071665305 /nfs/dbraw/zinc/66/53/05/1071665305.db2.gz XWTCLRYVLUHKFC-VWLOTQADSA-N 1 1 458.626 3.507 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961508 1071672848 /nfs/dbraw/zinc/67/28/48/1071672848.db2.gz UPOFIOPBFFVETF-LVXARBLLSA-N 1 1 488.652 3.590 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313964877 1071682005 /nfs/dbraw/zinc/68/20/05/1071682005.db2.gz FZINDAOWYLWMKV-UHFFFAOYSA-N 1 1 478.588 3.629 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313977383 1071710676 /nfs/dbraw/zinc/71/06/76/1071710676.db2.gz MPYGVLYDARVAEQ-OALUTQOASA-N 1 1 488.702 3.660 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001314007929 1071743816 /nfs/dbraw/zinc/74/38/16/1071743816.db2.gz JXYMQMNOZFQKCW-NZQKXSOJSA-N 1 1 468.646 3.944 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314013922 1071752595 /nfs/dbraw/zinc/75/25/95/1071752595.db2.gz LRNJLAONVLTCQZ-OAQYLSRUSA-N 1 1 483.661 3.765 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001314016557 1071760199 /nfs/dbraw/zinc/76/01/99/1071760199.db2.gz KFPXVKLWYYAOJM-UHFFFAOYSA-N 1 1 479.629 3.811 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314022809 1071776957 /nfs/dbraw/zinc/77/69/57/1071776957.db2.gz QZRSQRVMICPHFD-OAQYLSRUSA-N 1 1 477.613 3.529 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001314027280 1071792178 /nfs/dbraw/zinc/79/21/78/1071792178.db2.gz DNWRCBRNHSQYDD-UXHICEINSA-N 1 1 458.607 3.682 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314034295 1071817425 /nfs/dbraw/zinc/81/74/25/1071817425.db2.gz GZNUWUCHMVLJET-QTJGBDASSA-N 1 1 498.672 3.503 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001314038194 1071833118 /nfs/dbraw/zinc/83/31/18/1071833118.db2.gz PXQPNDZFHSJJPE-XZOQPEGZSA-N 1 1 468.646 3.767 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001314038193 1071833153 /nfs/dbraw/zinc/83/31/53/1071833153.db2.gz PXQPNDZFHSJJPE-PKTZIBPZSA-N 1 1 468.646 3.767 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001314038325 1071833721 /nfs/dbraw/zinc/83/37/21/1071833721.db2.gz XDPMPTYTYWNYJJ-CEXWTWQISA-N 1 1 488.608 3.755 20 0 JHADMO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001314045652 1071861674 /nfs/dbraw/zinc/86/16/74/1071861674.db2.gz ROZWMLMEUSDAML-UQBPGWFLSA-N 1 1 475.609 3.673 20 0 JHADMO CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC001314075190 1071931365 /nfs/dbraw/zinc/93/13/65/1071931365.db2.gz PLVCALYTMYKITR-JLLPCOHGSA-N 1 1 491.721 3.949 20 0 JHADMO CCO[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001314075175 1071931423 /nfs/dbraw/zinc/93/14/23/1071931423.db2.gz PGSZJQFNZPAZND-RRJCBXKSSA-N 1 1 482.673 3.558 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001314081282 1071943671 /nfs/dbraw/zinc/94/36/71/1071943671.db2.gz XHJMBWSPUXLVNE-HOYKHHGWSA-N 1 1 461.557 3.668 20 0 JHADMO CCO[C@]1(c2nnc(N3CC=C(COC)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314106339 1071997295 /nfs/dbraw/zinc/99/72/95/1071997295.db2.gz PYDTYAALEKGFMX-WIOPSUGQSA-N 1 1 490.048 3.669 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108083 1072000520 /nfs/dbraw/zinc/00/05/20/1072000520.db2.gz UERBANDRPYXQNL-AMGIVPHBSA-N 1 1 485.673 3.846 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001314113501 1072009499 /nfs/dbraw/zinc/00/94/99/1072009499.db2.gz TXZOIVBFLMCTHH-MHZLTWQESA-N 1 1 484.689 3.860 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001314126420 1072035089 /nfs/dbraw/zinc/03/50/89/1072035089.db2.gz QTWNHJYOXLFNAC-QHCPKHFHSA-N 1 1 496.578 3.703 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@@H]3CSC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314126354 1072034525 /nfs/dbraw/zinc/03/45/25/1072034525.db2.gz XOOIQOFKEAXCNO-PQNGQFLHSA-N 1 1 465.708 3.630 20 0 JHADMO CCO[C@]1(c2nnc(N3CCS[C@H](CC)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314144077 1072060115 /nfs/dbraw/zinc/06/01/15/1072060115.db2.gz MMVCYUPILBXAMO-YOSAUDMPSA-N 1 1 465.708 3.773 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cccnc2OC)cc1 ZINC001305926347 1068222697 /nfs/dbraw/zinc/22/26/97/1068222697.db2.gz QYUCFRYSQOMBCZ-UHFFFAOYSA-N 1 1 464.614 3.506 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cccnc2OC)cc1 ZINC001305926347 1068222713 /nfs/dbraw/zinc/22/27/13/1068222713.db2.gz QYUCFRYSQOMBCZ-UHFFFAOYSA-N 1 1 464.614 3.506 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001305931350 1068230967 /nfs/dbraw/zinc/23/09/67/1068230967.db2.gz CWSSIVOYJYBYNK-NKKJXINNSA-N 1 1 455.647 3.606 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(C)(COC)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001305933647 1068234514 /nfs/dbraw/zinc/23/45/14/1068234514.db2.gz OXVOSGNIVFKEPA-HSZRJFAPSA-N 1 1 455.647 3.607 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305935057 1068236289 /nfs/dbraw/zinc/23/62/89/1068236289.db2.gz VMOFJMPNWFMELW-ZTCOLXNVSA-N 1 1 455.647 3.726 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305946954 1068262415 /nfs/dbraw/zinc/26/24/15/1068262415.db2.gz FYMXVUUTJLILJJ-PMACEKPBSA-N 1 1 452.647 3.685 20 0 JHADMO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCCn3cc[nH+]c3C)CCO2)cc1 ZINC001305956575 1068283288 /nfs/dbraw/zinc/28/32/88/1068283288.db2.gz WKQCKKAZXRLDFR-QHCPKHFHSA-N 1 1 479.629 3.542 20 0 JHADMO CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)s1 ZINC001305967537 1068301612 /nfs/dbraw/zinc/30/16/12/1068301612.db2.gz MBTGATJJIQLVMU-IAGOWNOFSA-N 1 1 472.684 3.861 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)[C@H]2CCSC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305976576 1068315395 /nfs/dbraw/zinc/31/53/95/1068315395.db2.gz XJSRCXZUGRERDT-FCHUYYIVSA-N 1 1 473.687 3.718 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC(C)(F)F ZINC001305982633 1068328098 /nfs/dbraw/zinc/32/80/98/1068328098.db2.gz LAQBGWCVWMQRHA-QUCCMNQESA-N 1 1 463.573 3.622 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305984678 1068332495 /nfs/dbraw/zinc/33/24/95/1068332495.db2.gz HGXCGRJKXBGDJY-XMMPIXPASA-N 1 1 482.673 3.599 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001305986337 1068337169 /nfs/dbraw/zinc/33/71/69/1068337169.db2.gz SVPWWWZBRVRSNG-JOCHJYFZSA-N 1 1 482.673 3.599 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001310836483 1069186217 /nfs/dbraw/zinc/18/62/17/1069186217.db2.gz FAENYBXTDOTNGI-HXUWFJFHSA-N 1 1 454.550 3.659 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 ZINC001310843363 1069189335 /nfs/dbraw/zinc/18/93/35/1069189335.db2.gz AOFQSJSAOJOQRU-MRXNPFEDSA-N 1 1 452.546 3.938 20 0 JHADMO CN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001310866528 1069199448 /nfs/dbraw/zinc/19/94/48/1069199448.db2.gz WMETVEZWQRNDOZ-NRFANRHFSA-N 1 1 458.628 3.892 20 0 JHADMO Cc1c(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cccc1S(=O)(=O)N(C)C ZINC001310869320 1069200523 /nfs/dbraw/zinc/20/05/23/1069200523.db2.gz ISUVSLJQMGDNJT-IHPCNDPISA-N 1 1 458.628 3.761 20 0 JHADMO CCC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001306546076 1069202595 /nfs/dbraw/zinc/20/25/95/1069202595.db2.gz FERIVXPKFMEFJT-DPPGTGKWSA-N 1 1 485.673 3.572 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306567184 1069234694 /nfs/dbraw/zinc/23/46/94/1069234694.db2.gz PIZXJBQRLAVWBA-VQTJNVASSA-N 1 1 461.614 3.997 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001306572971 1069240074 /nfs/dbraw/zinc/24/00/74/1069240074.db2.gz GSRXNLVHGPDFFA-HXUWFJFHSA-N 1 1 470.662 3.615 20 0 JHADMO CCC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001306589191 1069257834 /nfs/dbraw/zinc/25/78/34/1069257834.db2.gz GKLDLXPSPKFZCC-GGAORHGYSA-N 1 1 471.646 3.626 20 0 JHADMO 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 1069268284 /nfs/dbraw/zinc/26/82/84/1069268284.db2.gz XGHKOQPSYLBQBG-KEZOAJOQSA-N 1 1 456.631 3.764 20 0 JHADMO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001306598202 1069273995 /nfs/dbraw/zinc/27/39/95/1069273995.db2.gz DDTAHKOWLRGGQW-WOJBJXKFSA-N 1 1 488.702 3.695 20 0 JHADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC001311125133 1069279879 /nfs/dbraw/zinc/27/98/79/1069279879.db2.gz XPDIPSOOVZRGNU-HXUWFJFHSA-N 1 1 451.571 3.957 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001311162333 1069286624 /nfs/dbraw/zinc/28/66/24/1069286624.db2.gz CCLILSLCBCGINY-DENIHFKCSA-N 1 1 457.619 3.740 20 0 JHADMO 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 1069287927 /nfs/dbraw/zinc/28/79/27/1069287927.db2.gz VKFNLXPZWOXEGM-TXTKFYIRSA-N 1 1 471.646 3.986 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)[C@H](C)CC)CCO1 ZINC001306616488 1069298410 /nfs/dbraw/zinc/29/84/10/1069298410.db2.gz HBFYNRHOHPRRTR-WBVHZDCISA-N 1 1 453.429 3.771 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)on2)CC[N@H+]1CCOC ZINC001306616469 1069298434 /nfs/dbraw/zinc/29/84/34/1069298434.db2.gz GWNBTAFOGCXZQE-OAQYLSRUSA-N 1 1 458.994 3.880 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001306616908 1069298729 /nfs/dbraw/zinc/29/87/29/1069298729.db2.gz KDXDOHKELUDTBX-NRFANRHFSA-N 1 1 491.080 3.698 20 0 JHADMO CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(OC)c(Br)c2)CC[N@H+]1CCOC ZINC001306619160 1069302849 /nfs/dbraw/zinc/30/28/49/1069302849.db2.gz YBBRJJKSDIYNSR-IBGZPJMESA-N 1 1 480.451 3.537 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306620608 1069307631 /nfs/dbraw/zinc/30/76/31/1069307631.db2.gz QVTRCLPZQSCKII-XUZZJYLKSA-N 1 1 454.663 3.539 20 0 JHADMO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)Nc3cc[nH+]c(N4CCCCC4)c3)CC2)c1 ZINC001311246472 1069307645 /nfs/dbraw/zinc/30/76/45/1069307645.db2.gz MRBYLQUQLBHIIO-HXUWFJFHSA-N 1 1 451.571 3.524 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001306621292 1069309678 /nfs/dbraw/zinc/30/96/78/1069309678.db2.gz ABCVTWGJPQRZQA-LJQANCHMSA-N 1 1 489.020 3.889 20 0 JHADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164407818 718867036 /nfs/dbraw/zinc/86/70/36/718867036.db2.gz KFUAYGUXDBODTJ-UHFFFAOYSA-N 1 1 480.638 3.949 20 0 JHADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164625377 719056347 /nfs/dbraw/zinc/05/63/47/719056347.db2.gz PJMYLCKKZVNORT-FUHWJXTLSA-N 1 1 450.917 3.952 20 0 JHADMO O=C(Nc1nncs1)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164630928 719101886 /nfs/dbraw/zinc/10/18/86/719101886.db2.gz XRFIJYASHLAIJT-VQIMIIECSA-N 1 1 454.987 3.940 20 0 JHADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C[C@H]3O2)n1 ZINC001164655393 719300454 /nfs/dbraw/zinc/30/04/54/719300454.db2.gz UAKKYIMQVIWMQF-FGTMMUONSA-N 1 1 454.600 3.952 20 0 JHADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001164664138 719357266 /nfs/dbraw/zinc/35/72/66/719357266.db2.gz KYHNQPUGFGYDHQ-OAQYLSRUSA-N 1 1 466.964 3.568 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164664186 719357721 /nfs/dbraw/zinc/35/77/21/719357721.db2.gz LVABJFUPBPNBOZ-CUBQBAPOSA-N 1 1 493.700 3.998 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n1 ZINC001164678407 719541723 /nfs/dbraw/zinc/54/17/23/719541723.db2.gz KVQGKPZWTITLKI-AABGKKOBSA-N 1 1 471.671 3.756 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164681968 719692572 /nfs/dbraw/zinc/69/25/72/719692572.db2.gz AXLRICMETZCFRI-NFBKMPQASA-N 1 1 466.630 3.543 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)CC2 ZINC001164686337 719706258 /nfs/dbraw/zinc/70/62/58/719706258.db2.gz ZXCIWMMQFKTEDG-UHFFFAOYSA-N 1 1 463.557 3.625 20 0 JHADMO Fc1cccnc1N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692076 719761433 /nfs/dbraw/zinc/76/14/33/719761433.db2.gz RLASTIORAWEUCC-AMGIVPHBSA-N 1 1 459.569 3.833 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2c1C ZINC001164690370 719772258 /nfs/dbraw/zinc/77/22/58/719772258.db2.gz BAAIGXLFPAXJCO-VQTJNVASSA-N 1 1 462.623 3.679 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001164702621 719847742 /nfs/dbraw/zinc/84/77/42/719847742.db2.gz OHGJEJKFFSXJIV-CCLHPLFOSA-N 1 1 494.567 3.677 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC001164703062 719860738 /nfs/dbraw/zinc/86/07/38/719860738.db2.gz OPCQLXGORSZLQJ-KDYSTLNUSA-N 1 1 460.578 3.838 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccsc2)nc2ccccc21 ZINC001164704979 719869538 /nfs/dbraw/zinc/86/95/38/719869538.db2.gz MLUAGEYVGREHFB-MHECFPHRSA-N 1 1 452.580 3.591 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(OC)c2)nc2ccccc21 ZINC001164707221 719872996 /nfs/dbraw/zinc/87/29/96/719872996.db2.gz RLGRDDKEWDJXDV-CCLHPLFOSA-N 1 1 476.577 3.538 20 0 JHADMO Clc1nc2c(Cl)ncnc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707061 719899960 /nfs/dbraw/zinc/89/99/60/719899960.db2.gz MTTQJWGBUGUTNH-UHFFFAOYSA-N 1 1 451.383 3.660 20 0 JHADMO Clc1nc2c(Cl)ncnc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707061 719899961 /nfs/dbraw/zinc/89/99/61/719899961.db2.gz MTTQJWGBUGUTNH-UHFFFAOYSA-N 1 1 451.383 3.660 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164810931 720083691 /nfs/dbraw/zinc/08/36/91/720083691.db2.gz MITBJOIWPGVWNW-AMGIVPHBSA-N 1 1 482.072 3.873 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164719086 720113066 /nfs/dbraw/zinc/11/30/66/720113066.db2.gz VSFNGVKFULGLES-HSZRJFAPSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164714312 720115370 /nfs/dbraw/zinc/11/53/70/720115370.db2.gz BVXGKSCJPIFACJ-HXUWFJFHSA-N 1 1 463.582 3.550 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164713062 720143863 /nfs/dbraw/zinc/14/38/63/720143863.db2.gz PTWPMAIOVHKSLE-SFHVURJKSA-N 1 1 451.949 3.886 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164715303 720155921 /nfs/dbraw/zinc/15/59/21/720155921.db2.gz UMCFNWXWEASFRA-FQEVSTJZSA-N 1 1 463.582 3.550 20 0 JHADMO CCCSc1ncnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164714455 720156456 /nfs/dbraw/zinc/15/64/56/720156456.db2.gz PHOCYXKOIBQZPS-HXUWFJFHSA-N 1 1 457.644 3.890 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817230 720194065 /nfs/dbraw/zinc/19/40/65/720194065.db2.gz PBEGCBUNGBUEDW-KCWPFWIISA-N 1 1 450.627 3.878 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812595 720195580 /nfs/dbraw/zinc/19/55/80/720195580.db2.gz LGQCXCNHFLSQBB-UZLBHIALSA-N 1 1 458.937 3.557 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CCC2 ZINC001164812014 720222606 /nfs/dbraw/zinc/22/26/06/720222606.db2.gz CJSUOTRFHKMTJR-UHFFFAOYSA-N 1 1 480.922 3.774 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C2)C1 ZINC001164720670 720299674 /nfs/dbraw/zinc/29/96/74/720299674.db2.gz CBDHLLLATCRXSO-GDLZYMKVSA-N 1 1 485.632 3.784 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C2)C1 ZINC001164720670 720299683 /nfs/dbraw/zinc/29/96/83/720299683.db2.gz CBDHLLLATCRXSO-GDLZYMKVSA-N 1 1 485.632 3.784 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840744 720512945 /nfs/dbraw/zinc/51/29/45/720512945.db2.gz XJTRRGIHNPLFQF-OWCLPIDISA-N 1 1 456.994 3.971 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@@H]21 ZINC001164834876 720522719 /nfs/dbraw/zinc/52/27/19/720522719.db2.gz HTVFMUGFYHUSIQ-IHRRRGAJSA-N 1 1 481.819 3.954 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cnc1Cl ZINC001164837835 720526203 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c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164881200 721168113 /nfs/dbraw/zinc/16/81/13/721168113.db2.gz ZUPQVORAJKDBGA-UXHICEINSA-N 1 1 460.563 3.735 20 0 JHADMO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866726 721195144 /nfs/dbraw/zinc/19/51/44/721195144.db2.gz CHJHCRVCZHDANG-RTWAWAEBSA-N 1 1 475.971 3.531 20 0 JHADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768737 721201252 /nfs/dbraw/zinc/20/12/52/721201252.db2.gz LQFPCHHNGXQUBH-SFTDATJTSA-N 1 1 467.687 3.842 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164768463 721223640 /nfs/dbraw/zinc/22/36/40/721223640.db2.gz LBAZBXVWUBWKLL-RTBURBONSA-N 1 1 486.649 3.719 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769776 721236908 /nfs/dbraw/zinc/23/69/08/721236908.db2.gz ZPQXHSBHFYBBOY-DHIUTWEWSA-N 1 1 454.578 3.901 20 0 JHADMO O=C(N1CCCC1)C12CC(C1)CN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164875830 721237933 /nfs/dbraw/zinc/23/79/33/721237933.db2.gz XMWBTEHUELCSDB-UHFFFAOYSA-N 1 1 451.640 3.757 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764499 721242346 /nfs/dbraw/zinc/24/23/46/721242346.db2.gz OQFJZAYJQCQELY-QZTJIDSGSA-N 1 1 454.962 3.623 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC2)C1 ZINC001164869324 721267917 /nfs/dbraw/zinc/26/79/17/721267917.db2.gz KFIUIXXRCMCRNX-UHFFFAOYSA-N 1 1 495.574 3.582 20 0 JHADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001164768031 721282477 /nfs/dbraw/zinc/28/24/77/721282477.db2.gz JDNUAPXYWWYJNY-UHFFFAOYSA-N 1 1 472.014 3.552 20 0 JHADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164879659 721297426 /nfs/dbraw/zinc/29/74/26/721297426.db2.gz YUJWTEMXGRYDDY-PXNSSMCTSA-N 1 1 461.031 3.760 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776351 721335245 /nfs/dbraw/zinc/33/52/45/721335245.db2.gz DWCVWALUJOKSDD-AREMUKBSSA-N 1 1 479.581 3.530 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164779793 721341637 /nfs/dbraw/zinc/34/16/37/721341637.db2.gz WRPWIKXVYCRFNG-FQEVSTJZSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164779793 721341644 /nfs/dbraw/zinc/34/16/44/721341644.db2.gz WRPWIKXVYCRFNG-FQEVSTJZSA-N 1 1 456.921 3.884 20 0 JHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776262 721343810 /nfs/dbraw/zinc/34/38/10/721343810.db2.gz ANEGWPZGVODWJG-XMMPIXPASA-N 1 1 477.005 3.944 20 0 JHADMO CCOC(=O)c1c(C)cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164782240 721354064 /nfs/dbraw/zinc/35/40/64/721354064.db2.gz LKMMPVHOEXROEB-VWLOTQADSA-N 1 1 456.587 3.599 20 0 JHADMO COC(=O)c1cccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc21 ZINC001164780699 721371138 /nfs/dbraw/zinc/37/11/38/721371138.db2.gz GOMWBHRUZGRYBU-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc(C)c3C)C2)C1 ZINC001164787071 721371298 /nfs/dbraw/zinc/37/12/98/721371298.db2.gz YKGGAUVFRKMPLN-AREMUKBSSA-N 1 1 462.598 3.879 20 0 JHADMO Cc1nc(C)c(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)s1 ZINC001164782977 721372032 /nfs/dbraw/zinc/37/20/32/721372032.db2.gz ONKJQDRDXFHTRO-DEOSSOPVSA-N 1 1 468.627 3.941 20 0 JHADMO Cc1nc(C)c(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)s1 ZINC001164782977 721372036 /nfs/dbraw/zinc/37/20/36/721372036.db2.gz ONKJQDRDXFHTRO-DEOSSOPVSA-N 1 1 468.627 3.941 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894126 721391682 /nfs/dbraw/zinc/39/16/82/721391682.db2.gz XUVAUOGZOIPQOP-AVRDEDQJSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)O2)CC1 ZINC001164889242 721394286 /nfs/dbraw/zinc/39/42/86/721394286.db2.gz LFOFMJMWBWHIEU-AOMKIAJQSA-N 1 1 483.966 3.733 20 0 JHADMO Cc1cccc(Sc2cncc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164895807 721427471 /nfs/dbraw/zinc/42/74/71/721427471.db2.gz PSWAJCMHWPJPFH-SQJMNOBHSA-N 1 1 453.656 3.702 20 0 JHADMO CSc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)ncn2)cc1 ZINC001164890720 721427617 /nfs/dbraw/zinc/42/76/17/721427617.db2.gz DOZLWBZKGPRFRC-BWKNWUBXSA-N 1 1 469.655 3.756 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895391 721429882 /nfs/dbraw/zinc/42/98/82/721429882.db2.gz OHCZLRAASCWGBW-UUOWRZLLSA-N 1 1 455.006 3.530 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889614 721435788 /nfs/dbraw/zinc/43/57/88/721435788.db2.gz CHKGAMARDDOMTR-BVAGGSTKSA-N 1 1 484.044 3.753 20 0 JHADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891436 721437816 /nfs/dbraw/zinc/43/78/16/721437816.db2.gz GODSHJJBTHBOOZ-PXDATVDWSA-N 1 1 456.034 3.871 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(SCc5ccccc5)n4)C3)O2)CC1 ZINC001164890213 721444731 /nfs/dbraw/zinc/44/47/31/721444731.db2.gz CJWSUISSAJHFEU-RCZVLFRGSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889625 721444789 /nfs/dbraw/zinc/44/47/89/721444789.db2.gz CJASXYHSXUOMJU-UQBPGWFLSA-N 1 1 464.639 3.519 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897467 721446282 /nfs/dbraw/zinc/44/62/82/721446282.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 1 1 455.691 3.784 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897467 721446283 /nfs/dbraw/zinc/44/62/83/721446283.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 1 1 455.691 3.784 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884435 721448599 /nfs/dbraw/zinc/44/85/99/721448599.db2.gz BFKNEEUTQXMPNZ-HOYKHHGWSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4)C3)O2)CC1 ZINC001164892784 721450587 /nfs/dbraw/zinc/45/05/87/721450587.db2.gz YELPCTQBWCVHQX-YKSBVNFPSA-N 1 1 458.006 3.688 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890315 721451707 /nfs/dbraw/zinc/45/17/07/721451707.db2.gz QSFTYQZOPXVWDA-PZJWPPBQSA-N 1 1 454.993 3.620 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164790314 721452098 /nfs/dbraw/zinc/45/20/98/721452098.db2.gz YCQNWPMAGJOLJP-XMMPIXPASA-N 1 1 484.685 3.878 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164791155 721467013 /nfs/dbraw/zinc/46/70/13/721467013.db2.gz UVMASKNQGOTQKC-QFIPXVFZSA-N 1 1 451.615 3.581 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164790602 721467885 /nfs/dbraw/zinc/46/78/85/721467885.db2.gz RZOCCQGFSVVFFM-JOCHJYFZSA-N 1 1 467.610 3.755 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164791827 721468185 /nfs/dbraw/zinc/46/81/85/721468185.db2.gz ZSRUILQHWJQJKU-SFHVURJKSA-N 1 1 458.981 3.717 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164786689 721468833 /nfs/dbraw/zinc/46/88/33/721468833.db2.gz BYROVUSLZBEKQC-OAQYLSRUSA-N 1 1 454.615 3.681 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164790647 721473928 /nfs/dbraw/zinc/47/39/28/721473928.db2.gz TVTRMRWRPHFDNJ-OAQYLSRUSA-N 1 1 453.631 3.959 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164895028 721479263 /nfs/dbraw/zinc/47/92/63/721479263.db2.gz QJNGLAONOLLAOW-XWVZOOPGSA-N 1 1 458.622 3.678 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)n1 ZINC001164793668 721482022 /nfs/dbraw/zinc/48/20/22/721482022.db2.gz XMOCDQVYSDENNT-UFYCRDLUSA-N 1 1 487.670 3.545 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164898643 721483374 /nfs/dbraw/zinc/48/33/74/721483374.db2.gz WOTPUWNKCGKPHQ-RXFWQSSRSA-N 1 1 483.682 3.663 20 0 JHADMO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164792165 721486011 /nfs/dbraw/zinc/48/60/11/721486011.db2.gz HPRGHVTVTMPPDB-AJTFRIOCSA-N 1 1 460.553 3.706 20 0 JHADMO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164897487 721503746 /nfs/dbraw/zinc/50/37/46/721503746.db2.gz MBVWDJYTSABUKR-XMMPIXPASA-N 1 1 453.590 3.678 20 0 JHADMO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164897483 721503825 /nfs/dbraw/zinc/50/38/25/721503825.db2.gz MBVWDJYTSABUKR-DEOSSOPVSA-N 1 1 453.590 3.678 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903011 721534562 /nfs/dbraw/zinc/53/45/62/721534562.db2.gz BUPHUAOHLFCKLC-SJLPKXTDSA-N 1 1 456.905 3.551 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809029 721537288 /nfs/dbraw/zinc/53/72/88/721537288.db2.gz UDRQKHYGYMZIHN-IMSXRSKXSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809029 721537290 /nfs/dbraw/zinc/53/72/90/721537290.db2.gz UDRQKHYGYMZIHN-IMSXRSKXSA-N 1 1 470.017 3.624 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911088 721539945 /nfs/dbraw/zinc/53/99/45/721539945.db2.gz VLWXIURKKNJKOS-RDJZCZTQSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164810719 721541279 /nfs/dbraw/zinc/54/12/79/721541279.db2.gz YLBBANDUHUVQTF-XJUOHMSHSA-N 1 1 490.011 3.791 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164810719 721541284 /nfs/dbraw/zinc/54/12/84/721541284.db2.gz YLBBANDUHUVQTF-XJUOHMSHSA-N 1 1 490.011 3.791 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164799152 721541825 /nfs/dbraw/zinc/54/18/25/721541825.db2.gz AWKJJBKEPMEKOT-UBFVSLLYSA-N 1 1 491.039 3.909 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164799152 721541830 /nfs/dbraw/zinc/54/18/30/721541830.db2.gz AWKJJBKEPMEKOT-UBFVSLLYSA-N 1 1 491.039 3.909 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164903898 721550348 /nfs/dbraw/zinc/55/03/48/721550348.db2.gz DIIOAISLPVEDTC-NVXWUHKLSA-N 1 1 469.891 3.938 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2cc1OC ZINC001164803996 721556359 /nfs/dbraw/zinc/55/63/59/721556359.db2.gz KMOUCVOCQQOSGR-CNNODRBYSA-N 1 1 469.973 3.564 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2cc1OC ZINC001164803996 721556364 /nfs/dbraw/zinc/55/63/64/721556364.db2.gz KMOUCVOCQQOSGR-CNNODRBYSA-N 1 1 469.973 3.564 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911086 721559386 /nfs/dbraw/zinc/55/93/86/721559386.db2.gz YHRIVFIIUJRBMO-NQIIRXRSSA-N 1 1 450.514 3.642 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)ccc-3c2=O)cc1 ZINC001164800996 721574816 /nfs/dbraw/zinc/57/48/16/721574816.db2.gz GCFDKMOBSGHBOX-FULLSBAXSA-N 1 1 499.615 3.509 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)ccc-3c2=O)cc1 ZINC001164800996 721574819 /nfs/dbraw/zinc/57/48/19/721574819.db2.gz GCFDKMOBSGHBOX-FULLSBAXSA-N 1 1 499.615 3.509 20 0 JHADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2C1=O ZINC001164903738 721575109 /nfs/dbraw/zinc/57/51/09/721575109.db2.gz RTRPCRAYNNCGNW-RTWAWAEBSA-N 1 1 491.661 3.885 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@@H]2CCCO[C@H]12 ZINC001164810266 721587286 /nfs/dbraw/zinc/58/72/86/721587286.db2.gz VPHCHBUZMWQQJF-LMMKCTJWSA-N 1 1 476.915 3.593 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@@H]2CCCO[C@H]12 ZINC001164810266 721587288 /nfs/dbraw/zinc/58/72/88/721587288.db2.gz VPHCHBUZMWQQJF-LMMKCTJWSA-N 1 1 476.915 3.593 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@@H]2CCCO[C@H]12 ZINC001164810896 721591958 /nfs/dbraw/zinc/59/19/58/721591958.db2.gz WQDWLJBRMASSJX-RKVPGOIHSA-N 1 1 480.972 3.634 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@@H]2CCCO[C@H]12 ZINC001164810896 721591960 /nfs/dbraw/zinc/59/19/60/721591960.db2.gz WQDWLJBRMASSJX-RKVPGOIHSA-N 1 1 480.972 3.634 20 0 JHADMO COc1cccc(CN2C[C@@H]3CC[N@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]3S2(=O)=O)c1 ZINC001164802582 721592826 /nfs/dbraw/zinc/59/28/26/721592826.db2.gz GVZJWAALXPWQEP-GHTZIAJQSA-N 1 1 464.031 3.905 20 0 JHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1OCC ZINC001164907089 721702165 /nfs/dbraw/zinc/70/21/65/721702165.db2.gz RKLRHJVBLAWUGQ-HSZRJFAPSA-N 1 1 460.525 3.790 20 0 JHADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907658 721717692 /nfs/dbraw/zinc/71/76/92/721717692.db2.gz SHTXQITYMALAID-ZFTMLNQLSA-N 1 1 467.520 3.882 20 0 JHADMO FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909663 721726925 /nfs/dbraw/zinc/72/69/25/721726925.db2.gz CQTGMYOFPVQQRA-GOSISDBHSA-N 1 1 459.875 3.730 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165011507 721736953 /nfs/dbraw/zinc/73/69/53/721736953.db2.gz PTHMJAYDVDOAER-UHFFFAOYSA-N 1 1 488.366 3.884 20 0 JHADMO COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164913496 721737058 /nfs/dbraw/zinc/73/70/58/721737058.db2.gz WJZBMBYZNSBSQE-GOSISDBHSA-N 1 1 459.875 3.816 20 0 JHADMO 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CCC(C)(C)NS(=O)(=O)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909610 721762200 /nfs/dbraw/zinc/76/22/00/721762200.db2.gz CTOPVSZECHVHOJ-UHFFFAOYSA-N 1 1 483.638 3.731 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2COC[C@H]12)C1CC1 ZINC001165015935 721763325 /nfs/dbraw/zinc/76/33/25/721763325.db2.gz TVKLEOYZIATIFJ-UFYCRDLUSA-N 1 1 454.640 3.796 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@H]12)C1CC1 ZINC001165016892 721763487 /nfs/dbraw/zinc/76/34/87/721763487.db2.gz YRRUMRXSUOWFGP-UFYCRDLUSA-N 1 1 454.640 3.796 20 0 JHADMO c1sc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164912740 721775244 /nfs/dbraw/zinc/77/52/44/721775244.db2.gz PDMJANCCBJCXIO-AREMUKBSSA-N 1 1 473.602 3.861 20 0 JHADMO c1sc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164912740 721775245 /nfs/dbraw/zinc/77/52/45/721775245.db2.gz PDMJANCCBJCXIO-AREMUKBSSA-N 1 1 473.602 3.861 20 0 JHADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CN1c1cccnc1 ZINC001165015696 721791949 /nfs/dbraw/zinc/79/19/49/721791949.db2.gz AVQRUHUHPJNUDO-XLIONFOSSA-N 1 1 474.634 3.660 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CN(c6cccnc6)C(=O)[C@@H]5C4)c23)C1 ZINC001165023666 721792101 /nfs/dbraw/zinc/79/21/01/721792101.db2.gz QLYOYJCVQCOGRV-DBXWQHBBSA-N 1 1 488.661 3.906 20 0 JHADMO FC(F)c1nc2ccc(Cl)cc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915344 721799429 /nfs/dbraw/zinc/79/94/29/721799429.db2.gz WKTSJIVSBHMNMT-HSZRJFAPSA-N 1 1 475.927 3.724 20 0 JHADMO FC(F)c1nc2ccc(Cl)cc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915344 721799431 /nfs/dbraw/zinc/79/94/31/721799431.db2.gz WKTSJIVSBHMNMT-HSZRJFAPSA-N 1 1 475.927 3.724 20 0 JHADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026280 721801129 /nfs/dbraw/zinc/80/11/29/721801129.db2.gz QGNZCBGZGRTGEC-SNRMKQJTSA-N 1 1 479.959 3.984 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC001165026811 721815995 /nfs/dbraw/zinc/81/59/95/721815995.db2.gz RKIWPNOYJHJBNR-YTQUADARSA-N 1 1 477.440 3.752 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001165020690 721819334 /nfs/dbraw/zinc/81/93/34/721819334.db2.gz CNSZYAQSPXNFDF-AVCGJXAMSA-N 1 1 451.615 3.690 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928141 721833823 /nfs/dbraw/zinc/83/38/23/721833823.db2.gz WQAQHJDIONWSRV-RSXGOPAZSA-N 1 1 485.698 3.891 20 0 JHADMO c1ccc(C[N@H+]2CCc3nc(N4C[C@H]5COC[C@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922719 721838288 /nfs/dbraw/zinc/83/82/88/721838288.db2.gz IBZGSLYXJJGFEL-CUBQBAPOSA-N 1 1 456.590 3.705 20 0 JHADMO c1ccc(C[N@H+]2CCc3nc(N4C[C@@H]5COC[C@@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922721 721838297 /nfs/dbraw/zinc/83/82/97/721838297.db2.gz IBZGSLYXJJGFEL-UFHPHHKVSA-N 1 1 456.590 3.705 20 0 JHADMO COc1cc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(Cl)n1 ZINC001165030941 721845002 /nfs/dbraw/zinc/84/50/02/721845002.db2.gz MNHRNSZPUVCTBK-UHFFFAOYSA-N 1 1 456.921 3.802 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)no1 ZINC001164940681 721930574 /nfs/dbraw/zinc/93/05/74/721930574.db2.gz WTYFOPDIMXKVMC-UHFFFAOYSA-N 1 1 461.566 3.810 20 0 JHADMO COc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(Cl)n1 ZINC001164942783 721933869 /nfs/dbraw/zinc/93/38/69/721933869.db2.gz MXNOAZOAABRUDU-UHFFFAOYSA-N 1 1 452.933 3.863 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc21 ZINC001164946072 721977446 /nfs/dbraw/zinc/97/74/46/721977446.db2.gz JIOCRXDFBPTXSJ-UHFFFAOYSA-N 1 1 479.584 3.696 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc21 ZINC001164946072 721977448 /nfs/dbraw/zinc/97/74/48/721977448.db2.gz JIOCRXDFBPTXSJ-UHFFFAOYSA-N 1 1 479.584 3.696 20 0 JHADMO Cc1nc(Cn2c(=O)ccc3c2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001164951509 722007041 /nfs/dbraw/zinc/00/70/41/722007041.db2.gz HOTGJILAXQIDJA-UHFFFAOYSA-N 1 1 470.042 3.911 20 0 JHADMO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164954093 722010198 /nfs/dbraw/zinc/01/01/98/722010198.db2.gz IFJYPLCAKQRHPD-HFJWLAOPSA-N 1 1 498.697 3.565 20 0 JHADMO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164953810 722011002 /nfs/dbraw/zinc/01/10/02/722011002.db2.gz GRENKVOLLMQMLZ-SIBVEZHUSA-N 1 1 494.665 3.819 20 0 JHADMO Clc1nnc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1N1CCOCC1 ZINC001164964184 722024858 /nfs/dbraw/zinc/02/48/58/722024858.db2.gz VSROPFUOEQEKOY-UHFFFAOYSA-N 1 1 463.413 3.508 20 0 JHADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)n1 ZINC001164962762 722027526 /nfs/dbraw/zinc/02/75/26/722027526.db2.gz RXGRJKJOWIEQCF-XNMGPUDCSA-N 1 1 466.626 3.850 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3O[C@H](Cc4nc(C)no4)C[C@H]3C2)n1 ZINC001164965437 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/nfs/dbraw/zinc/46/02/83/1069460283.db2.gz IIIDAHKOWDYENV-QHCPKHFHSA-N 1 1 478.645 3.717 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306722793 1069461666 /nfs/dbraw/zinc/46/16/66/1069461666.db2.gz LCPJFLGIBGWXTM-DHIUTWEWSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722720 1069460948 /nfs/dbraw/zinc/46/09/48/1069460948.db2.gz KIIHCCGSJZMONG-QHCPKHFHSA-N 1 1 482.673 3.961 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306722509 1069461134 /nfs/dbraw/zinc/46/11/34/1069461134.db2.gz IIKQHDNPTIJZSQ-FCHUYYIVSA-N 1 1 458.651 3.568 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001306722944 1069462225 /nfs/dbraw/zinc/46/22/25/1069462225.db2.gz PAYKEBQHWMKSPZ-GOTSBHOMSA-N 1 1 486.636 3.788 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1 ZINC001306723276 1069462341 /nfs/dbraw/zinc/46/23/41/1069462341.db2.gz QORPSJWAUQEADP-OALUTQOASA-N 1 1 457.648 3.522 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306725439 1069466469 /nfs/dbraw/zinc/46/64/69/1069466469.db2.gz DHVXMMZBARHAEY-FGZHOGPDSA-N 1 1 469.630 3.531 20 0 JHADMO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306725883 1069467003 /nfs/dbraw/zinc/46/70/03/1069467003.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 1 1 459.708 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306725883 1069467008 /nfs/dbraw/zinc/46/70/08/1069467008.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 1 1 459.708 3.819 20 0 JHADMO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001311615603 1069467731 /nfs/dbraw/zinc/46/77/31/1069467731.db2.gz CGXMXSFCEOMIMZ-MRXNPFEDSA-N 1 1 452.546 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726487 1069469952 /nfs/dbraw/zinc/46/99/52/1069469952.db2.gz NELVPXUARWADAJ-PZJWPPBQSA-N 1 1 495.640 3.749 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306726601 1069470577 /nfs/dbraw/zinc/47/05/77/1069470577.db2.gz ABFKHZPHPCNKDV-UPVQGACJSA-N 1 1 466.674 3.775 20 0 JHADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001311621055 1069471614 /nfs/dbraw/zinc/47/16/14/1069471614.db2.gz NKWFMIBCQDEUDS-UHFFFAOYSA-N 1 1 458.006 3.522 20 0 JHADMO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001311643518 1069486904 /nfs/dbraw/zinc/48/69/04/1069486904.db2.gz DATYLTYPGKSVCN-QFIPXVFZSA-N 1 1 454.537 3.661 20 0 JHADMO CCc1nsc(N2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)CC2)n1 ZINC001311645402 1069487259 /nfs/dbraw/zinc/48/72/59/1069487259.db2.gz SWDAZBCMDJDJPI-UHFFFAOYSA-N 1 1 456.660 3.897 20 0 JHADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001311648062 1069488198 /nfs/dbraw/zinc/48/81/98/1069488198.db2.gz ZISIDTXKWGLERT-DHIUTWEWSA-N 1 1 474.646 3.885 20 0 JHADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)c1C ZINC001311650417 1069488713 /nfs/dbraw/zinc/48/87/13/1069488713.db2.gz BHUIVYALTJNPCX-SFHVURJKSA-N 1 1 458.578 3.919 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306732365 1069489248 /nfs/dbraw/zinc/48/92/48/1069489248.db2.gz VMHNINKKBRFVTO-JOCHJYFZSA-N 1 1 484.645 3.709 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001311657810 1069491282 /nfs/dbraw/zinc/49/12/82/1069491282.db2.gz ULZICJKOJMZIMA-QGZVFWFLSA-N 1 1 452.946 3.521 20 0 JHADMO CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC001311667309 1069495705 /nfs/dbraw/zinc/49/57/05/1069495705.db2.gz SAGRVACQBIMPLP-GJZUVCINSA-N 1 1 450.627 3.713 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001306733473 1069493276 /nfs/dbraw/zinc/49/32/76/1069493276.db2.gz YUYWMAVZMGAPNY-XMMPIXPASA-N 1 1 482.673 3.797 20 0 JHADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665044 1069493931 /nfs/dbraw/zinc/49/39/31/1069493931.db2.gz KWECFKSWZZTQSF-BTYIYWSLSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665044 1069493933 /nfs/dbraw/zinc/49/39/33/1069493933.db2.gz KWECFKSWZZTQSF-BTYIYWSLSA-N 1 1 452.382 3.747 20 0 JHADMO COC(=O)CCCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC001311667076 1069495117 /nfs/dbraw/zinc/49/51/17/1069495117.db2.gz WKHUSQFFSBAIBX-UHFFFAOYSA-N 1 1 454.502 3.651 20 0 JHADMO 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 1069504752 /nfs/dbraw/zinc/50/47/52/1069504752.db2.gz QSRPOTLALQBMSS-GUXCAODWSA-N 1 1 450.546 3.738 20 0 JHADMO 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 1069504870 /nfs/dbraw/zinc/50/48/70/1069504870.db2.gz QSRPOTLALQBMSS-GQIGUUNPSA-N 1 1 450.546 3.738 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CC=CCC2)C1 ZINC001306738426 1069509509 /nfs/dbraw/zinc/50/95/09/1069509509.db2.gz ZTCRCNRVQNBYSO-VXKWHMMOSA-N 1 1 480.657 3.737 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306740798 1069514714 /nfs/dbraw/zinc/51/47/14/1069514714.db2.gz VNAYIGNERBLVMJ-FDFHNCONSA-N 1 1 469.678 3.537 20 0 JHADMO CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311716055 1069516620 /nfs/dbraw/zinc/51/66/20/1069516620.db2.gz WKJWZDCVRZZWIT-LEWJYISDSA-N 1 1 452.628 3.830 20 0 JHADMO CCN(C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[C@@H](C)CS(C)(=O)=O ZINC001311716789 1069516824 /nfs/dbraw/zinc/51/68/24/1069516824.db2.gz PNPHWBXHXXDGDX-MAUKXSAKSA-N 1 1 451.555 3.553 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723211 1069521755 /nfs/dbraw/zinc/52/17/55/1069521755.db2.gz LAHFOHKIOZNBFC-NDEPHWFRSA-N 1 1 456.634 3.956 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723211 1069521757 /nfs/dbraw/zinc/52/17/57/1069521757.db2.gz LAHFOHKIOZNBFC-NDEPHWFRSA-N 1 1 456.634 3.956 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306745170 1069527387 /nfs/dbraw/zinc/52/73/87/1069527387.db2.gz NJBJHQLWFLCULX-NRFANRHFSA-N 1 1 482.673 3.818 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001306745550 1069528640 /nfs/dbraw/zinc/52/86/40/1069528640.db2.gz RAVPRIIIOJZHLV-QFIPXVFZSA-N 1 1 469.678 3.537 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001306746116 1069530341 /nfs/dbraw/zinc/53/03/41/1069530341.db2.gz XWXSGORZKBVIGR-QFIPXVFZSA-N 1 1 469.678 3.681 20 0 JHADMO C[C@@]1(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001311753508 1069533480 /nfs/dbraw/zinc/53/34/80/1069533480.db2.gz GDCKZGNAXOOSLR-AOHZBQACSA-N 1 1 460.544 3.981 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCC(C)(F)F)cc1OC ZINC001306748272 1069537965 /nfs/dbraw/zinc/53/79/65/1069537965.db2.gz DFOFSQFUPGDIMP-LJQANCHMSA-N 1 1 479.572 3.699 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCC(C)(F)F)cc1OC ZINC001306748272 1069537971 /nfs/dbraw/zinc/53/79/71/1069537971.db2.gz DFOFSQFUPGDIMP-LJQANCHMSA-N 1 1 479.572 3.699 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760442 1069535935 /nfs/dbraw/zinc/53/59/35/1069535935.db2.gz COFSTDVUBQVWGK-PXDATVDWSA-N 1 1 454.590 3.505 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748756 1069539309 /nfs/dbraw/zinc/53/93/09/1069539309.db2.gz LYCJGBFBGMTINJ-RBUKOAKNSA-N 1 1 457.619 3.576 20 0 JHADMO C[C@@H](CNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC001311793993 1069547665 /nfs/dbraw/zinc/54/76/65/1069547665.db2.gz JGFBSLIHOQAWQW-KRWDZBQOSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@@H](CNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC001311793993 1069547670 /nfs/dbraw/zinc/54/76/70/1069547670.db2.gz JGFBSLIHOQAWQW-KRWDZBQOSA-N 1 1 450.649 3.831 20 0 JHADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804964 1069552735 /nfs/dbraw/zinc/55/27/35/1069552735.db2.gz MRHBHSZHKUHODH-ICSRJNTNSA-N 1 1 454.537 3.537 20 0 JHADMO CCCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001306757268 1069555612 /nfs/dbraw/zinc/55/56/12/1069555612.db2.gz WUWSFAQBTRNMOP-WBADGQHESA-N 1 1 477.694 3.560 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001311823096 1069562123 /nfs/dbraw/zinc/56/21/23/1069562123.db2.gz FEMDYBNBLHYIEU-IBGZPJMESA-N 1 1 459.388 3.612 20 0 JHADMO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306765933 1069567572 /nfs/dbraw/zinc/56/75/72/1069567572.db2.gz YYCYXWKPPSGJFZ-KDURUIRLSA-N 1 1 475.707 3.841 20 0 JHADMO 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Cc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1F ZINC001307664645 1070111295 /nfs/dbraw/zinc/11/12/95/1070111295.db2.gz YBLQFMICKZGZRB-QGZVFWFLSA-N 1 1 453.518 3.700 20 0 JHADMO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314326594 1070113925 /nfs/dbraw/zinc/11/39/25/1070113925.db2.gz VAJYFEOEALEKMO-UHFFFAOYSA-N 1 1 469.630 3.618 20 0 JHADMO CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314326594 1070113931 /nfs/dbraw/zinc/11/39/31/1070113931.db2.gz VAJYFEOEALEKMO-UHFFFAOYSA-N 1 1 469.630 3.618 20 0 JHADMO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001312775439 1070115228 /nfs/dbraw/zinc/11/52/28/1070115228.db2.gz BBBGXAPWQPUYJJ-PMACEKPBSA-N 1 1 472.527 3.638 20 0 JHADMO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671516 1070115578 /nfs/dbraw/zinc/11/55/78/1070115578.db2.gz XJTZWTSZMMMZHP-TWOQFEAHSA-N 1 1 452.521 3.535 20 0 JHADMO 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 1070118509 /nfs/dbraw/zinc/11/85/09/1070118509.db2.gz KBBGFDQRVQKNHV-LUKWVAJMSA-N 1 1 456.631 3.938 20 0 JHADMO CCOCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329197 1070120110 /nfs/dbraw/zinc/12/01/10/1070120110.db2.gz WJVPWWGIBCBKJO-AEFFLSMTSA-N 1 1 478.435 3.501 20 0 JHADMO CCOCc1nnc(N2CCC(C)(COC)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001314331680 1070124638 /nfs/dbraw/zinc/12/46/38/1070124638.db2.gz FLULITDLODRHMW-OALUTQOASA-N 1 1 465.639 3.742 20 0 JHADMO CCOCc1nnc(N2CCC(C)(COC)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001314331680 1070124645 /nfs/dbraw/zinc/12/46/45/1070124645.db2.gz FLULITDLODRHMW-OALUTQOASA-N 1 1 465.639 3.742 20 0 JHADMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001307679809 1070121250 /nfs/dbraw/zinc/12/12/50/1070121250.db2.gz YSENHEZNIMERON-LJQANCHMSA-N 1 1 457.409 3.898 20 0 JHADMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001307679809 1070121258 /nfs/dbraw/zinc/12/12/58/1070121258.db2.gz YSENHEZNIMERON-LJQANCHMSA-N 1 1 457.409 3.898 20 0 JHADMO CCOCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330140 1070121646 /nfs/dbraw/zinc/12/16/46/1070121646.db2.gz ZEMNBSXUWZAQDK-WMZOPIPTSA-N 1 1 464.010 3.597 20 0 JHADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC001307682404 1070123883 /nfs/dbraw/zinc/12/38/83/1070123883.db2.gz CXWXQJRYAIOSAR-WIYYLYMNSA-N 1 1 451.633 3.709 20 0 JHADMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC001307686561 1070125708 /nfs/dbraw/zinc/12/57/08/1070125708.db2.gz RJLUYFVNWNWSSV-OLZOCXBDSA-N 1 1 455.374 3.539 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001314341092 1070140227 /nfs/dbraw/zinc/14/02/27/1070140227.db2.gz GBKWQIXIYIUJOV-FPOVZHCZSA-N 1 1 476.666 3.525 20 0 JHADMO 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CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001313647891 1070814360 /nfs/dbraw/zinc/81/43/60/1070814360.db2.gz OWTQYOVEHGVMSS-NRFANRHFSA-N 1 1 495.697 3.661 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001313647891 1070814387 /nfs/dbraw/zinc/81/43/87/1070814387.db2.gz OWTQYOVEHGVMSS-NRFANRHFSA-N 1 1 495.697 3.661 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313648194 1070816189 /nfs/dbraw/zinc/81/61/89/1070816189.db2.gz SCUJRWBOBBBJAP-HXUWFJFHSA-N 1 1 470.637 3.869 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313648194 1070816217 /nfs/dbraw/zinc/81/62/17/1070816217.db2.gz SCUJRWBOBBBJAP-HXUWFJFHSA-N 1 1 470.637 3.869 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001314676508 1070820745 /nfs/dbraw/zinc/82/07/45/1070820745.db2.gz IYKHYDZYWXYRJW-VXKWHMMOSA-N 1 1 473.687 3.501 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677042 1070822760 /nfs/dbraw/zinc/82/27/60/1070822760.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 1 1 468.690 3.787 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314677718 1070824561 /nfs/dbraw/zinc/82/45/61/1070824561.db2.gz WURYZDDCXWUSTB-NRFANRHFSA-N 1 1 473.687 3.644 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314677718 1070824589 /nfs/dbraw/zinc/82/45/89/1070824589.db2.gz WURYZDDCXWUSTB-NRFANRHFSA-N 1 1 473.687 3.644 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001313655571 1070845042 /nfs/dbraw/zinc/84/50/42/1070845042.db2.gz PMNMBOAWPAJCES-XMMPIXPASA-N 1 1 495.716 3.768 20 0 JHADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC001309548282 1070846510 /nfs/dbraw/zinc/84/65/10/1070846510.db2.gz PNTXCJXYVFLANP-OAQYLSRUSA-N 1 1 457.999 3.835 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001313662829 1070871595 /nfs/dbraw/zinc/87/15/95/1070871595.db2.gz XHOUNVIBGYEPOI-HSZRJFAPSA-N 1 1 461.658 3.744 20 0 JHADMO CN(c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314702568 1070870089 /nfs/dbraw/zinc/87/00/89/1070870089.db2.gz NYDCUKHNPYSBJO-LJQANCHMSA-N 1 1 496.603 3.754 20 0 JHADMO COCC1(CNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCCC1 ZINC001309586805 1070871476 /nfs/dbraw/zinc/87/14/76/1070871476.db2.gz IEBLRJQBCGQFCB-BJKOFHAPSA-N 1 1 460.615 3.920 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001314708054 1070880183 /nfs/dbraw/zinc/88/01/83/1070880183.db2.gz FHMLSHYJYZJEOR-UEXGIBASSA-N 1 1 474.675 3.625 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314711179 1070890808 /nfs/dbraw/zinc/89/08/08/1070890808.db2.gz XQLHCKQPOVZCLW-BJKOFHAPSA-N 1 1 496.700 3.825 20 0 JHADMO CN(CC(C)(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001314711494 1070892080 /nfs/dbraw/zinc/89/20/80/1070892080.db2.gz RWGXMIDZBFEUMS-GOSISDBHSA-N 1 1 456.616 3.605 20 0 JHADMO CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314712185 1070895169 /nfs/dbraw/zinc/89/51/69/1070895169.db2.gz HIQMSYOLPIPYDX-FQEVSTJZSA-N 1 1 478.563 3.815 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001314718038 1070909453 /nfs/dbraw/zinc/90/94/53/1070909453.db2.gz WHIAVRWCIHCJGB-WMLDXEAASA-N 1 1 451.522 3.878 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001314713570 1070901409 /nfs/dbraw/zinc/90/14/09/1070901409.db2.gz LIFBHKNSPDGADX-UHFFFAOYSA-N 1 1 493.656 3.755 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313673338 1070907244 /nfs/dbraw/zinc/90/72/44/1070907244.db2.gz QKLXTMKBGJORSU-UXHICEINSA-N 1 1 465.689 3.704 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313673341 1070907310 /nfs/dbraw/zinc/90/73/10/1070907310.db2.gz QKLXTMKBGJORSU-WOJBJXKFSA-N 1 1 465.689 3.704 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccsc1 ZINC001313673441 1070907751 /nfs/dbraw/zinc/90/77/51/1070907751.db2.gz RGHFHBKCDWLMTF-NRFANRHFSA-N 1 1 490.699 3.821 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314717300 1070908912 /nfs/dbraw/zinc/90/89/12/1070908912.db2.gz WNRWIHCYRFZBQK-INIZCTEOSA-N 1 1 487.573 3.712 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313675756 1070918030 /nfs/dbraw/zinc/91/80/30/1070918030.db2.gz BIEUSKQRGPEEJO-ZWKOTPCHSA-N 1 1 487.642 3.560 20 0 JHADMO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001309755221 1070955138 /nfs/dbraw/zinc/95/51/38/1070955138.db2.gz WVVCIEMUONVRKZ-RBBKRZOGSA-N 1 1 457.640 3.605 20 0 JHADMO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC001309755438 1070955168 /nfs/dbraw/zinc/95/51/68/1070955168.db2.gz SPEUMMCORJYHIZ-DOTOQJQBSA-N 1 1 451.976 3.565 20 0 JHADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767317 1070960256 /nfs/dbraw/zinc/96/02/56/1070960256.db2.gz JTKSIPHZHQEBGB-MGPUTAFESA-N 1 1 455.393 3.918 20 0 JHADMO CN(Cc1ccc(F)cc1F)c1nnc(C(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314735486 1070959269 /nfs/dbraw/zinc/95/92/69/1070959269.db2.gz ZAJFFDOTQGOWDP-HSZRJFAPSA-N 1 1 465.614 3.698 20 0 JHADMO CN(Cc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314745032 1070987886 /nfs/dbraw/zinc/98/78/86/1070987886.db2.gz KTGNIPSZVNITAV-UHFFFAOYSA-N 1 1 455.006 3.665 20 0 JHADMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001309830630 1070988854 /nfs/dbraw/zinc/98/88/54/1070988854.db2.gz XEIRJMHRUSHJPN-DSNGMDLFSA-N 1 1 456.652 3.776 20 0 JHADMO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)C)CC2)cc1 ZINC001313705348 1070993719 /nfs/dbraw/zinc/99/37/19/1070993719.db2.gz RFLHQAGJVCAESZ-UHFFFAOYSA-N 1 1 461.658 3.684 20 0 JHADMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1scc(Br)c1Br ZINC001309852053 1070996066 /nfs/dbraw/zinc/99/60/66/1070996066.db2.gz DBWMAZRBTXKDSG-ZJUUUORDSA-N 1 1 458.241 3.520 20 0 JHADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1scc(Br)c1Br ZINC001309852053 1070996074 /nfs/dbraw/zinc/99/60/74/1070996074.db2.gz DBWMAZRBTXKDSG-ZJUUUORDSA-N 1 1 458.241 3.520 20 0 JHADMO CN(Cc1ccco1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314758685 1071013197 /nfs/dbraw/zinc/01/31/97/1071013197.db2.gz SBBHCKNKOYIUPZ-UHFFFAOYSA-N 1 1 459.978 3.851 20 0 JHADMO CN(Cc1ccco1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314758685 1071013215 /nfs/dbraw/zinc/01/32/15/1071013215.db2.gz SBBHCKNKOYIUPZ-UHFFFAOYSA-N 1 1 459.978 3.851 20 0 JHADMO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314761526 1071018716 /nfs/dbraw/zinc/01/87/16/1071018716.db2.gz ZICKRLXCJRMPOC-IBGZPJMESA-N 1 1 492.455 3.859 20 0 JHADMO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001309976945 1071035622 /nfs/dbraw/zinc/03/56/22/1071035622.db2.gz RZBBLEFRIBBQRP-JOCHJYFZSA-N 1 1 450.587 3.883 20 0 JHADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001309991062 1071041199 /nfs/dbraw/zinc/04/11/99/1071041199.db2.gz KJRHJMFHXZGPKV-IPMKNSEASA-N 1 1 456.612 3.643 20 0 JHADMO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001309998838 1071047894 /nfs/dbraw/zinc/04/78/94/1071047894.db2.gz ZTUFTDBRMOHYFY-XXBNENTESA-N 1 1 458.628 3.797 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001313730305 1071044137 /nfs/dbraw/zinc/04/41/37/1071044137.db2.gz RSMMJENIDSGYFT-GOSISDBHSA-N 1 1 459.541 3.998 20 0 JHADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309994754 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JHADMO CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC001313886885 1071471632 /nfs/dbraw/zinc/47/16/32/1071471632.db2.gz FNWWLHYBDXGZJA-GOSISDBHSA-N 1 1 491.055 3.963 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001313888047 1071474997 /nfs/dbraw/zinc/47/49/97/1071474997.db2.gz FZOZTPNMIBBKME-MOPGFXCFSA-N 1 1 493.743 3.877 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313888111 1071476017 /nfs/dbraw/zinc/47/60/17/1071476017.db2.gz MHJCHIFXWKWAMG-FCHUYYIVSA-N 1 1 482.673 3.965 20 0 JHADMO 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 1071477760 /nfs/dbraw/zinc/47/77/60/1071477760.db2.gz WVVHUQOLTGQUBF-AQNXPRMDSA-N 1 1 478.682 3.942 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313889196 1071479451 /nfs/dbraw/zinc/47/94/51/1071479451.db2.gz HIVWHQHABRGMGI-ZWKOTPCHSA-N 1 1 467.536 3.986 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(C)CC2)C1 ZINC001313890532 1071483179 /nfs/dbraw/zinc/48/31/79/1071483179.db2.gz ZRSRILRCGNWJHR-HXUWFJFHSA-N 1 1 458.651 3.891 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 ZINC001313892244 1071486928 /nfs/dbraw/zinc/48/69/28/1071486928.db2.gz CVEHTJVFNCBIKH-QGZVFWFLSA-N 1 1 465.545 3.691 20 0 JHADMO CCN(C[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CC[N@@H+](CC)C2)C1)CC(F)(F)F ZINC001313893917 1071491825 /nfs/dbraw/zinc/49/18/25/1071491825.db2.gz QSUVSSXVHSPUDJ-MOPGFXCFSA-N 1 1 456.601 3.988 20 0 JHADMO 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 1071491886 /nfs/dbraw/zinc/49/18/86/1071491886.db2.gz QBEOZINQHOFRJW-CIAFKFPVSA-N 1 1 490.693 3.596 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001314984878 1071491170 /nfs/dbraw/zinc/49/11/70/1071491170.db2.gz INQGJLIAPUQQCQ-UXHICEINSA-N 1 1 486.636 3.784 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313894758 1071494120 /nfs/dbraw/zinc/49/41/20/1071494120.db2.gz CEPJVQBWYIILGG-IEBWSBKVSA-N 1 1 458.607 3.776 20 0 JHADMO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)cn1 ZINC001313894859 1071495007 /nfs/dbraw/zinc/49/50/07/1071495007.db2.gz XKDGJQMIVVIUDK-QUCCMNQESA-N 1 1 455.582 3.894 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894798 1071495038 /nfs/dbraw/zinc/49/50/38/1071495038.db2.gz CSJLUVSEUXJBOM-ZBFHGGJFSA-N 1 1 452.386 3.736 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1cnccn1 ZINC001313895373 1071496528 /nfs/dbraw/zinc/49/65/28/1071496528.db2.gz HOCODUYUNOJGJR-GOSISDBHSA-N 1 1 488.409 3.800 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](COC)C1 ZINC001313895396 1071497045 /nfs/dbraw/zinc/49/70/45/1071497045.db2.gz HVEPCDUDTCYYNM-WOJBJXKFSA-N 1 1 457.619 3.700 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001314988385 1071501555 /nfs/dbraw/zinc/50/15/55/1071501555.db2.gz KZLMEGXWKXWPLP-OAQYLSRUSA-N 1 1 468.646 3.571 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001314989593 1071503977 /nfs/dbraw/zinc/50/39/77/1071503977.db2.gz JFAFYRKQCGDFSA-WIYYLYMNSA-N 1 1 459.038 3.854 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313898098 1071504433 /nfs/dbraw/zinc/50/44/33/1071504433.db2.gz NZUVICHGBSRQOL-NHCUHLMSSA-N 1 1 491.105 3.924 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314990736 1071506023 /nfs/dbraw/zinc/50/60/23/1071506023.db2.gz UQQGIAJIVPAKOG-ICSRJNTNSA-N 1 1 490.599 3.629 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313899211 1071507204 /nfs/dbraw/zinc/50/72/04/1071507204.db2.gz GYSFNKGVAJBJFC-RTWAWAEBSA-N 1 1 472.609 3.596 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001313900624 1071510167 /nfs/dbraw/zinc/51/01/67/1071510167.db2.gz QRAVKFZBZGKYFC-QYZOEREBSA-N 1 1 493.425 3.623 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313903133 1071514853 /nfs/dbraw/zinc/51/48/53/1071514853.db2.gz MGKSWCXCPCEPMI-GBXCKJPGSA-N 1 1 495.590 3.914 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902161 1071513571 /nfs/dbraw/zinc/51/35/71/1071513571.db2.gz KFSLKZUBXNMVFQ-AZUAARDMSA-N 1 1 471.650 3.887 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001313903344 1071515915 /nfs/dbraw/zinc/51/59/15/1071515915.db2.gz APOQWSKRDLMMEC-UYAOXDASSA-N 1 1 457.619 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313903645 1071515975 /nfs/dbraw/zinc/51/59/75/1071515975.db2.gz DATYICUAYYESBR-IRFCIJBXSA-N 1 1 459.660 3.705 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313904444 1071518411 /nfs/dbraw/zinc/51/84/11/1071518411.db2.gz HTRRUNWRGQXPET-QGZVFWFLSA-N 1 1 463.001 3.817 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314998880 1071519182 /nfs/dbraw/zinc/51/91/82/1071519182.db2.gz XJIUFQCCCJDRMF-UPVQGACJSA-N 1 1 466.674 3.680 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313904650 1071519151 /nfs/dbraw/zinc/51/91/51/1071519151.db2.gz RRQCFWCJOJNLBO-IBGZPJMESA-N 1 1 481.563 3.852 20 0 JHADMO 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 1071519751 /nfs/dbraw/zinc/51/97/51/1071519751.db2.gz KKVRBFHBGIIGRC-LTFPLMDUSA-N 1 1 478.707 3.863 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315001811 1071525069 /nfs/dbraw/zinc/52/50/69/1071525069.db2.gz ODYTVSLACNKQPO-FCHUYYIVSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313905357 1071521510 /nfs/dbraw/zinc/52/15/10/1071521510.db2.gz WVMVCQBAXYBGPV-FQEVSTJZSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313905985 1071522677 /nfs/dbraw/zinc/52/26/77/1071522677.db2.gz WXMUZMYSRFWEOR-NZQKXSOJSA-N 1 1 482.673 3.696 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313906898 1071525929 /nfs/dbraw/zinc/52/59/29/1071525929.db2.gz SQAZGBYVXAGQFO-WWPVKYPJSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 ZINC001313907239 1071526724 /nfs/dbraw/zinc/52/67/24/1071526724.db2.gz ZXHKTPNLRBAVAL-RTWAWAEBSA-N 1 1 469.634 3.866 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313908308 1071529348 /nfs/dbraw/zinc/52/93/48/1071529348.db2.gz IHIJGFGZIQLRND-SFHVURJKSA-N 1 1 463.001 3.704 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908208 1071529394 /nfs/dbraw/zinc/52/93/94/1071529394.db2.gz BLVSRNBTDSNQCE-ICSRJNTNSA-N 1 1 470.643 3.749 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313909216 1071530869 /nfs/dbraw/zinc/53/08/69/1071530869.db2.gz PUUKKLXTUFLOTN-NLFFAJNJSA-N 1 1 457.619 3.842 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313909213 1071530884 /nfs/dbraw/zinc/53/08/84/1071530884.db2.gz PUUKKLXTUFLOTN-CJFMBICVSA-N 1 1 457.619 3.842 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001313909165 1071531834 /nfs/dbraw/zinc/53/18/34/1071531834.db2.gz BTPCAARXOSOUAP-FQEVSTJZSA-N 1 1 458.626 3.825 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909358 1071532437 /nfs/dbraw/zinc/53/24/37/1071532437.db2.gz OLCSTLUVVXRKOO-XZOQPEGZSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313910759 1071536603 /nfs/dbraw/zinc/53/66/03/1071536603.db2.gz GRQVGMRJVJWFHM-YADHBBJMSA-N 1 1 459.610 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC ZINC001313910152 1071534523 /nfs/dbraw/zinc/53/45/23/1071534523.db2.gz VLFIKSYZFWRUIP-SFHVURJKSA-N 1 1 450.425 3.973 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313911881 1071538441 /nfs/dbraw/zinc/53/84/41/1071538441.db2.gz SHEPSALRRXEKPF-LJQANCHMSA-N 1 1 489.571 3.799 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313912995 1071541682 /nfs/dbraw/zinc/54/16/82/1071541682.db2.gz PAYUMAUIJHVWEA-HSZRJFAPSA-N 1 1 466.674 3.746 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313913847 1071544866 /nfs/dbraw/zinc/54/48/66/1071544866.db2.gz ZOBSIHXGLBFNPE-INIZCTEOSA-N 1 1 493.475 3.971 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CCNC(C)=O)Cc1ccsc1 ZINC001313914139 1071546235 /nfs/dbraw/zinc/54/62/35/1071546235.db2.gz RZRCMDDBXMQUKO-NRFANRHFSA-N 1 1 460.692 3.945 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1=O ZINC001313914476 1071547474 /nfs/dbraw/zinc/54/74/74/1071547474.db2.gz XYIWXQBBHJSEEI-NRFANRHFSA-N 1 1 468.646 3.667 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313913639 1071544178 /nfs/dbraw/zinc/54/41/78/1071544178.db2.gz QHSLWVOWLRTNOV-JOCHJYFZSA-N 1 1 472.653 3.821 20 0 JHADMO CCN1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](CC)C2CC2)CC1=O ZINC001313913741 1071544456 /nfs/dbraw/zinc/54/44/56/1071544456.db2.gz MDQWANJQCORHDO-OAQYLSRUSA-N 1 1 468.646 3.578 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548596 /nfs/dbraw/zinc/54/85/96/1071548596.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 1 1 470.710 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548601 /nfs/dbraw/zinc/54/86/01/1071548601.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 1 1 470.710 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313915149 1071549800 /nfs/dbraw/zinc/54/98/00/1071549800.db2.gz QCRJSRHLDHOUDQ-ONTIZHBOSA-N 1 1 463.667 3.660 20 0 JHADMO 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 1071549850 /nfs/dbraw/zinc/54/98/50/1071549850.db2.gz PWHQMRIHLZTOAO-JSXRDJHFSA-N 1 1 476.666 3.538 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001315026280 1071551313 /nfs/dbraw/zinc/55/13/13/1071551313.db2.gz XCFDDTWOAULYKY-IFMALSPDSA-N 1 1 454.663 3.839 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915820 1071551480 /nfs/dbraw/zinc/55/14/80/1071551480.db2.gz TZTMYPHOQJZHRF-FQRUVTKNSA-N 1 1 487.645 3.978 20 0 JHADMO 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 1071552650 /nfs/dbraw/zinc/55/26/50/1071552650.db2.gz WJVFVBQUDVIIFI-KJJMTIBFSA-N 1 1 490.693 3.786 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001315028532 1071556364 /nfs/dbraw/zinc/55/63/64/1071556364.db2.gz IICXISFXGRBWPS-LJQANCHMSA-N 1 1 451.619 3.509 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920480 1071559553 /nfs/dbraw/zinc/55/95/53/1071559553.db2.gz JKPDAXWYLVGNNS-SFHVURJKSA-N 1 1 489.462 3.509 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921664 1071561145 /nfs/dbraw/zinc/56/11/45/1071561145.db2.gz SGLWPSGZYKIECY-UZLBHIALSA-N 1 1 467.431 3.522 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921865 1071562670 /nfs/dbraw/zinc/56/26/70/1071562670.db2.gz TWYKYMCHMFJLRE-SIKLNZKXSA-N 1 1 461.054 3.659 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921920 1071563060 /nfs/dbraw/zinc/56/30/60/1071563060.db2.gz UGVWSHNSAHLGHW-KRWDZBQOSA-N 1 1 497.432 3.887 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922336 1071563717 /nfs/dbraw/zinc/56/37/17/1071563717.db2.gz VTIHYPMTPPHSEK-NHCUHLMSSA-N 1 1 470.662 3.615 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922363 1071564252 /nfs/dbraw/zinc/56/42/52/1071564252.db2.gz WGYHVTRWIDKAPJ-GOSISDBHSA-N 1 1 475.479 3.970 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924446 1071570237 /nfs/dbraw/zinc/57/02/37/1071570237.db2.gz GBWGMRWYJCCZAI-AZUAARDMSA-N 1 1 480.579 3.758 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CC(C)C)CC2)CC1 ZINC001313923476 1071567588 /nfs/dbraw/zinc/56/75/88/1071567588.db2.gz NAYLBWMSMVUGOP-UHFFFAOYSA-N 1 1 487.092 3.949 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313923926 1071568761 /nfs/dbraw/zinc/56/87/61/1071568761.db2.gz BBEMCZAZJKPIDN-PZJWPPBQSA-N 1 1 458.651 3.656 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001315036776 1071569572 /nfs/dbraw/zinc/56/95/72/1071569572.db2.gz TVUGMCZODJRQSD-LJQANCHMSA-N 1 1 451.619 3.653 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924955 1071571959 /nfs/dbraw/zinc/57/19/59/1071571959.db2.gz KCZRNNGCXGCZOO-NHCUHLMSSA-N 1 1 463.630 3.572 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924807 1071572083 /nfs/dbraw/zinc/57/20/83/1071572083.db2.gz JCANUUFWULJOHN-BKMJKUGQSA-N 1 1 454.663 3.675 20 0 JHADMO CC[NH+]1CCN([C@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925455 1071573880 /nfs/dbraw/zinc/57/38/80/1071573880.db2.gz QYVTYPRHSHQJND-GOSISDBHSA-N 1 1 459.589 3.554 20 0 JHADMO CNC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001315042047 1071574146 /nfs/dbraw/zinc/57/41/46/1071574146.db2.gz CWRCSOWIXQMUMX-ROUUACIJSA-N 1 1 475.037 3.518 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925763 1071574858 /nfs/dbraw/zinc/57/48/58/1071574858.db2.gz AGMFSZNTIMNMBB-VXKWHMMOSA-N 1 1 477.657 3.881 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927663 1071581179 /nfs/dbraw/zinc/58/11/79/1071581179.db2.gz JNTNQNVIOALBMV-QFIPXVFZSA-N 1 1 495.716 3.748 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927360 1071579773 /nfs/dbraw/zinc/57/97/73/1071579773.db2.gz JXGMRQLEPYMVAY-LJQANCHMSA-N 1 1 499.107 3.535 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313927418 1071580084 /nfs/dbraw/zinc/58/00/84/1071580084.db2.gz KRBARURYQVKBJD-SSGKUCQKSA-N 1 1 460.711 3.849 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313928594 1071583889 /nfs/dbraw/zinc/58/38/89/1071583889.db2.gz BTFVBNAMYXFVQR-SJORKVTESA-N 1 1 455.525 3.600 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929958 1071587941 /nfs/dbraw/zinc/58/79/41/1071587941.db2.gz ULJQBINEKGTLMZ-OAQYLSRUSA-N 1 1 454.663 3.530 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313930261 1071588959 /nfs/dbraw/zinc/58/89/59/1071588959.db2.gz AULWWPXMYHYRIK-INIZCTEOSA-N 1 1 490.425 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001313930281 1071589437 /nfs/dbraw/zinc/58/94/37/1071589437.db2.gz BFACGETYYXIKIV-INIZCTEOSA-N 1 1 473.419 3.761 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313930302 1071589485 /nfs/dbraw/zinc/58/94/85/1071589485.db2.gz BLCPTHKRVLVPPZ-YJBOKZPZSA-N 1 1 469.627 3.926 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313930651 1071590135 /nfs/dbraw/zinc/59/01/35/1071590135.db2.gz NSMTYNSKCUNEHL-IAGOWNOFSA-N 1 1 498.441 3.677 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313931573 1071592815 /nfs/dbraw/zinc/59/28/15/1071592815.db2.gz FSCRNTKQSLTWRP-INIZCTEOSA-N 1 1 471.403 3.690 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933493 1071598032 /nfs/dbraw/zinc/59/80/32/1071598032.db2.gz ZBSYSMCRBFUNKN-HSZRJFAPSA-N 1 1 461.658 3.744 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001313933720 1071599270 /nfs/dbraw/zinc/59/92/70/1071599270.db2.gz QCBSPKUUUXRBGK-KKSFZXQISA-N 1 1 450.425 3.707 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001313933936 1071600344 /nfs/dbraw/zinc/60/03/44/1071600344.db2.gz PEIXKEZQBWQDPM-QRQCRPRQSA-N 1 1 492.393 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccnc2OC)C[C@H]1C ZINC001313933944 1071600426 /nfs/dbraw/zinc/60/04/26/1071600426.db2.gz PKCLWKWRYVDLEE-MRXNPFEDSA-N 1 1 458.513 3.529 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313934018 1071600566 /nfs/dbraw/zinc/60/05/66/1071600566.db2.gz RIYGZJLQZVJKMS-KRWDZBQOSA-N 1 1 481.472 3.629 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313934169 1071601176 /nfs/dbraw/zinc/60/11/76/1071601176.db2.gz PUCAZMHBAZCRKX-QGZVFWFLSA-N 1 1 487.530 3.717 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934254 1071601746 /nfs/dbraw/zinc/60/17/46/1071601746.db2.gz SUGBYZUHCQQPAH-FOIQADDNSA-N 1 1 499.548 3.737 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313934491 1071602314 /nfs/dbraw/zinc/60/23/14/1071602314.db2.gz AJPZHRMOIFIGPF-IBGZPJMESA-N 1 1 464.614 3.866 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313934742 1071603075 /nfs/dbraw/zinc/60/30/75/1071603075.db2.gz VIMJMOCBWZQKAK-SFHVURJKSA-N 1 1 459.660 3.705 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604284 /nfs/dbraw/zinc/60/42/84/1071604284.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604287 /nfs/dbraw/zinc/60/42/87/1071604287.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934985 1071604350 /nfs/dbraw/zinc/60/43/50/1071604350.db2.gz UKJKECHEHKZOTF-GBXCKJPGSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@@H]1C ZINC001313935188 1071605370 /nfs/dbraw/zinc/60/53/70/1071605370.db2.gz FJXRTIJMJXVDGN-SKPFHBQLSA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313936826 1071609685 /nfs/dbraw/zinc/60/96/85/1071609685.db2.gz IJQTZQOMSGROHU-KNQAVFIVSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001313935577 1071606780 /nfs/dbraw/zinc/60/67/80/1071606780.db2.gz ILUGVIYCCAJBNY-INIZCTEOSA-N 1 1 456.978 3.589 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313936190 1071607861 /nfs/dbraw/zinc/60/78/61/1071607861.db2.gz MUDNUZBQYKNXIS-KRWDZBQOSA-N 1 1 494.587 3.644 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@H]1C ZINC001313936739 1071609040 /nfs/dbraw/zinc/60/90/40/1071609040.db2.gz IDCKIILHXGFZGE-MSOLQXFVSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313939098 1071612775 /nfs/dbraw/zinc/61/27/75/1071612775.db2.gz BRSGBZMJONANRV-INIZCTEOSA-N 1 1 452.525 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001313939574 1071613408 /nfs/dbraw/zinc/61/34/08/1071613408.db2.gz DEPGVWGIAVAUSI-KRWDZBQOSA-N 1 1 464.456 3.591 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001313940128 1071614033 /nfs/dbraw/zinc/61/40/33/1071614033.db2.gz GLTSJSOQWSQRAQ-QGZVFWFLSA-N 1 1 459.520 3.835 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940465 1071614946 /nfs/dbraw/zinc/61/49/46/1071614946.db2.gz MCAYEBYWJSHVIZ-LPHOPBHVSA-N 1 1 459.689 3.529 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942904 1071621446 /nfs/dbraw/zinc/62/14/46/1071621446.db2.gz NNGPEQQLBCQXDF-QHCPKHFHSA-N 1 1 454.663 3.785 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)C[C@H]1C ZINC001313943039 1071621466 /nfs/dbraw/zinc/62/14/66/1071621466.db2.gz OUEXXXLKLSJHSC-HXUWFJFHSA-N 1 1 451.619 3.669 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313941351 1071616947 /nfs/dbraw/zinc/61/69/47/1071616947.db2.gz UOYWYPXEELAQOD-OAHLLOKOSA-N 1 1 495.575 3.549 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313941380 1071617047 /nfs/dbraw/zinc/61/70/47/1071617047.db2.gz CBWQSIGQKSANRY-FQEVSTJZSA-N 1 1 468.577 3.617 20 0 JHADMO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC001313942168 1071619610 /nfs/dbraw/zinc/61/96/10/1071619610.db2.gz FEFVQOCZZDWKFE-NRFANRHFSA-N 1 1 473.710 3.957 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313942223 1071619652 /nfs/dbraw/zinc/61/96/52/1071619652.db2.gz OIWBAAXXNMENCC-HXUWFJFHSA-N 1 1 464.614 3.829 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2SC)C[C@H]1C ZINC001313943103 1071621900 /nfs/dbraw/zinc/62/19/00/1071621900.db2.gz PRVJLUGKGUPJEP-MRXNPFEDSA-N 1 1 488.658 3.709 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942799 1071621430 /nfs/dbraw/zinc/62/14/30/1071621430.db2.gz ODVCETRTRZBNTK-NHCUHLMSSA-N 1 1 486.661 3.857 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945617 1071626721 /nfs/dbraw/zinc/62/67/21/1071626721.db2.gz RSPVFJUVFRSSFN-GOSISDBHSA-N 1 1 478.483 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001313943496 1071623177 /nfs/dbraw/zinc/62/31/77/1071623177.db2.gz SEWQRCVJRPIKGL-DVECYGJZSA-N 1 1 455.628 3.665 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001313943444 1071623381 /nfs/dbraw/zinc/62/33/81/1071623381.db2.gz SIARAINFYFWXHR-PGRDOPGGSA-N 1 1 469.584 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)COC)C[C@H]1C ZINC001313946561 1071628435 /nfs/dbraw/zinc/62/84/35/1071628435.db2.gz BFMPTACERWOWOQ-JKSUJKDBSA-N 1 1 456.418 3.977 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313946575 1071629124 /nfs/dbraw/zinc/62/91/24/1071629124.db2.gz BNDVKDFEVAIINV-HXUWFJFHSA-N 1 1 494.606 3.970 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313947460 1071632269 /nfs/dbraw/zinc/63/22/69/1071632269.db2.gz HJQZXJPXXNPUAY-INIZCTEOSA-N 1 1 476.050 3.834 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948767 1071633995 /nfs/dbraw/zinc/63/39/95/1071633995.db2.gz RONRTNTVGUDWBA-NFBKMPQASA-N 1 1 486.730 3.948 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948768 1071634161 /nfs/dbraw/zinc/63/41/61/1071634161.db2.gz RONRTNTVGUDWBA-NZQKXSOJSA-N 1 1 486.730 3.948 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001313950654 1071639398 /nfs/dbraw/zinc/63/93/98/1071639398.db2.gz BOHSFEMLCKTQIN-FQEVSTJZSA-N 1 1 460.642 3.752 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC2(C)C)CC1 ZINC001313949082 1071635261 /nfs/dbraw/zinc/63/52/61/1071635261.db2.gz HMPZPCRLKJAATJ-FQEVSTJZSA-N 1 1 470.662 3.615 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313950236 1071637596 /nfs/dbraw/zinc/63/75/96/1071637596.db2.gz RTKJGKZXSZDBFT-LJQANCHMSA-N 1 1 498.569 3.801 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1 ZINC001313951047 1071640416 /nfs/dbraw/zinc/64/04/16/1071640416.db2.gz CXKWRXYNDUAVHT-SVMVAKDDSA-N 1 1 471.521 3.869 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC001313951111 1071640531 /nfs/dbraw/zinc/64/05/31/1071640531.db2.gz ZHLBQBNASWIVMI-CLHVYKLBSA-N 1 1 498.672 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951367 1071641757 /nfs/dbraw/zinc/64/17/57/1071641757.db2.gz HBKBOMLXRAGMQZ-OAQYLSRUSA-N 1 1 470.687 3.619 20 0 JHADMO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952202 1071644349 /nfs/dbraw/zinc/64/43/49/1071644349.db2.gz YFBMCLUMKVJQBQ-GGAORHGYSA-N 1 1 484.664 3.914 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952145 1071644563 /nfs/dbraw/zinc/64/45/63/1071644563.db2.gz NQNOVJOLTPLPMU-AZUAARDMSA-N 1 1 452.638 3.721 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952591 1071645757 /nfs/dbraw/zinc/64/57/57/1071645757.db2.gz RYMQKOYTXYLPEY-DNVFCKCGSA-N 1 1 476.616 3.879 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001313952712 1071646652 /nfs/dbraw/zinc/64/66/52/1071646652.db2.gz ANRQZVIJITVTRS-UHFFFAOYSA-N 1 1 451.619 3.604 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313952789 1071647007 /nfs/dbraw/zinc/64/70/07/1071647007.db2.gz CSVWBBWGNWYQLM-UHFFFAOYSA-N 1 1 485.080 3.695 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313952973 1071647062 /nfs/dbraw/zinc/64/70/62/1071647062.db2.gz JCSGZQFTIZSOOT-NRFANRHFSA-N 1 1 472.653 3.752 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313953712 1071649535 /nfs/dbraw/zinc/64/95/35/1071649535.db2.gz ILRKUQQDIBBHKB-HSZRJFAPSA-N 1 1 485.696 3.749 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001313955777 1071656729 /nfs/dbraw/zinc/65/67/29/1071656729.db2.gz IKVMXAXOKVDOBN-IBGZPJMESA-N 1 1 485.677 3.683 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955008 1071653649 /nfs/dbraw/zinc/65/36/49/1071653649.db2.gz DEMAGBCUGPLEJF-UKILVPOCSA-N 1 1 498.716 3.690 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313955336 1071655531 /nfs/dbraw/zinc/65/55/31/1071655531.db2.gz RPLSROAAEVRBDR-UXHICEINSA-N 1 1 455.676 3.816 20 0 JHADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313956807 1071657878 /nfs/dbraw/zinc/65/78/78/1071657878.db2.gz NGLHBPVWODLVIC-NRFANRHFSA-N 1 1 484.689 3.896 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313957261 1071660162 /nfs/dbraw/zinc/66/01/62/1071660162.db2.gz QCJIZCJSYSMEKL-KNQAVFIVSA-N 1 1 484.718 3.672 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313958052 1071662905 /nfs/dbraw/zinc/66/29/05/1071662905.db2.gz NYZYFYOMFDNGKO-OAQYLSRUSA-N 1 1 480.579 3.520 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313958174 1071662921 /nfs/dbraw/zinc/66/29/21/1071662921.db2.gz VBOMLLPFSHRLLH-KMDXXIMOSA-N 1 1 482.717 3.828 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313960075 1071668604 /nfs/dbraw/zinc/66/86/04/1071668604.db2.gz HDEJYCZIQMPXFD-UHFFFAOYSA-N 1 1 493.656 3.713 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313960101 1071668819 /nfs/dbraw/zinc/66/88/19/1071668819.db2.gz DPVDHUPQYONKJU-NOZRDPDXSA-N 1 1 498.716 3.524 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313959634 1071666920 /nfs/dbraw/zinc/66/69/20/1071666920.db2.gz YLPWRJQOKRLBQC-GOSISDBHSA-N 1 1 453.056 3.509 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313959852 1071668066 /nfs/dbraw/zinc/66/80/66/1071668066.db2.gz BPXDVGVARRYESN-RUZDIDTESA-N 1 1 498.716 3.753 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313959855 1071668139 /nfs/dbraw/zinc/66/81/39/1071668139.db2.gz BQWBOVQYDKUXGK-HHHXNRCGSA-N 1 1 486.680 3.677 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313961940 1071673891 /nfs/dbraw/zinc/67/38/91/1071673891.db2.gz XEGQMAMERPJENO-MOPGFXCFSA-N 1 1 462.589 3.809 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966692 1071687346 /nfs/dbraw/zinc/68/73/46/1071687346.db2.gz KPVLXDVLBCSDKN-HHHXNRCGSA-N 1 1 495.672 3.801 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCSCC(C)C)c2ccccc2c1=O ZINC001313968649 1071692541 /nfs/dbraw/zinc/69/25/41/1071692541.db2.gz ZSPUPEJJMJJATR-UHFFFAOYSA-N 1 1 497.713 3.985 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313976671 1071709054 /nfs/dbraw/zinc/70/90/54/1071709054.db2.gz HPJJVTBTCOFHEO-ACIOBRDBSA-N 1 1 482.673 3.781 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001313977448 1071710763 /nfs/dbraw/zinc/71/07/63/1071710763.db2.gz ZVXXMZWINZQVDO-UHFFFAOYSA-N 1 1 498.672 3.579 20 0 JHADMO CCNC(=O)c1ccc(Cn2c(N3CCC(C[N@@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001313983967 1071721471 /nfs/dbraw/zinc/72/14/71/1071721471.db2.gz YEHAZSROZQSRMD-UHFFFAOYSA-N 1 1 454.663 3.930 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001313993786 1071728547 /nfs/dbraw/zinc/72/85/47/1071728547.db2.gz NWGYKTFURBXTJA-XZOQPEGZSA-N 1 1 467.662 3.546 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001313999122 1071736112 /nfs/dbraw/zinc/73/61/12/1071736112.db2.gz HTXJNZMOCKXRSR-UHFFFAOYSA-N 1 1 499.704 3.736 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314013612 1071751000 /nfs/dbraw/zinc/75/10/00/1071751000.db2.gz JCHJMUUYYSKIGQ-OAQYLSRUSA-N 1 1 491.640 3.918 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001314017527 1071763296 /nfs/dbraw/zinc/76/32/96/1071763296.db2.gz HEXQBWJBCZUNFS-SFHVURJKSA-N 1 1 462.664 3.718 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314019815 1071769478 /nfs/dbraw/zinc/76/94/78/1071769478.db2.gz GYDCFGWBKSXWAV-FQEVSTJZSA-N 1 1 454.619 3.735 20 0 JHADMO 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CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001306271422 1068683880 /nfs/dbraw/zinc/68/38/80/1068683880.db2.gz DHGCNNCVSUZZMJ-NFBKMPQASA-N 1 1 452.647 3.914 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(CCc2ccc(OC)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001306274040 1068686980 /nfs/dbraw/zinc/68/69/80/1068686980.db2.gz JHCUNKSTEOSBKP-NZQKXSOJSA-N 1 1 455.647 3.808 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(CCc2ccc(OC)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001306274040 1068686983 /nfs/dbraw/zinc/68/69/83/1068686983.db2.gz JHCUNKSTEOSBKP-NZQKXSOJSA-N 1 1 455.647 3.808 20 0 JHADMO CC[C@H]1C[C@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCN(CC)CC1 ZINC001306303721 1068720649 /nfs/dbraw/zinc/72/06/49/1068720649.db2.gz ZQHDVGAVTQUUJE-MYDTUXCISA-N 1 1 460.711 3.849 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306316799 1068736896 /nfs/dbraw/zinc/73/68/96/1068736896.db2.gz GVAYAWHKYTYSBK-FXAWDEMLSA-N 1 1 489.462 3.639 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001306317507 1068738334 /nfs/dbraw/zinc/73/83/34/1068738334.db2.gz JOXBUAUFOSABKR-DHIUTWEWSA-N 1 1 467.662 3.762 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306318093 1068740553 /nfs/dbraw/zinc/74/05/53/1068740553.db2.gz FCEYLVFACQESNR-MJGOQNOKSA-N 1 1 475.037 3.539 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318342 1068741511 /nfs/dbraw/zinc/74/15/11/1068741511.db2.gz FVLFWGXAAYDWNZ-VXKWHMMOSA-N 1 1 459.660 3.613 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306319143 1068743993 /nfs/dbraw/zinc/74/39/93/1068743993.db2.gz JMJMEPFGDKQABJ-HKUYNNGSSA-N 1 1 498.093 3.741 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001306319324 1068744599 /nfs/dbraw/zinc/74/45/99/1068744599.db2.gz KDPNHOJBXDHRAC-UNMCSNQZSA-N 1 1 498.672 3.672 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306319393 1068745295 /nfs/dbraw/zinc/74/52/95/1068745295.db2.gz LAQGRJOSIUCZSP-RTWAWAEBSA-N 1 1 485.677 3.994 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306319644 1068745966 /nfs/dbraw/zinc/74/59/66/1068745966.db2.gz MCUFXKNELXVSNB-SFHVURJKSA-N 1 1 466.552 3.896 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306319657 1068746127 /nfs/dbraw/zinc/74/61/27/1068746127.db2.gz MGCYWWVAFHEKBJ-FQEVSTJZSA-N 1 1 474.053 3.563 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001306319811 1068747386 /nfs/dbraw/zinc/74/73/86/1068747386.db2.gz XHZLDJWNUNFBRP-IFMALSPDSA-N 1 1 487.718 3.626 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001306320349 1068748864 /nfs/dbraw/zinc/74/88/64/1068748864.db2.gz UKZPSTIIEHZIIK-FQEVSTJZSA-N 1 1 462.589 3.605 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001306320562 1068749535 /nfs/dbraw/zinc/74/95/35/1068749535.db2.gz WNNWVEDZBLLNKH-WOJBJXKFSA-N 1 1 478.563 3.714 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306321405 1068751807 /nfs/dbraw/zinc/75/18/07/1068751807.db2.gz CCLLRQHBTDLULC-NRFANRHFSA-N 1 1 486.636 3.565 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306322690 1068754263 /nfs/dbraw/zinc/75/42/63/1068754263.db2.gz ILCCDLDXRKCFRF-SFTDATJTSA-N 1 1 470.687 3.845 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001306324129 1068759164 /nfs/dbraw/zinc/75/91/64/1068759164.db2.gz NWXWNHOUJMVMTI-RPWUZVMVSA-N 1 1 481.689 3.517 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306325564 1068761673 /nfs/dbraw/zinc/76/16/73/1068761673.db2.gz UJPRKDMAVKEYGH-IBGZPJMESA-N 1 1 472.600 3.636 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306337423 1068773839 /nfs/dbraw/zinc/77/38/39/1068773839.db2.gz QENSBJCZRXEHLQ-NJDAHSKKSA-N 1 1 476.666 3.697 20 0 JHADMO CC[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306340250 1068776911 /nfs/dbraw/zinc/77/69/11/1068776911.db2.gz AKXZRUZXAUTJIA-XUZZJYLKSA-N 1 1 471.646 3.849 20 0 JHADMO CC[C@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306345862 1068783151 /nfs/dbraw/zinc/78/31/51/1068783151.db2.gz OYFSVAMQEKJBTI-WBVHZDCISA-N 1 1 466.399 3.946 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306348446 1068785302 /nfs/dbraw/zinc/78/53/02/1068785302.db2.gz UHVUUMQNMITDHP-SVFBPWRDSA-N 1 1 487.645 3.849 20 0 JHADMO CC[C@H]1CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306348448 1068785381 /nfs/dbraw/zinc/78/53/81/1068785381.db2.gz UHVUUMQNMITDHP-ZVDOUQERSA-N 1 1 487.645 3.849 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001306367252 1068802202 /nfs/dbraw/zinc/80/22/02/1068802202.db2.gz IKNJPENWGCONAR-ZWKOTPCHSA-N 1 1 462.436 3.973 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001306367252 1068802215 /nfs/dbraw/zinc/80/22/15/1068802215.db2.gz IKNJPENWGCONAR-ZWKOTPCHSA-N 1 1 462.436 3.973 20 0 JHADMO CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001306380692 1068811946 /nfs/dbraw/zinc/81/19/46/1068811946.db2.gz BKOPNZIMDOHOQI-UHFFFAOYSA-N 1 1 458.626 3.649 20 0 JHADMO CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001306382612 1068814382 /nfs/dbraw/zinc/81/43/82/1068814382.db2.gz BYHIHLPVZXNWLE-DNVJHFABSA-N 1 1 488.721 3.766 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1CCOC ZINC001306388222 1068823822 /nfs/dbraw/zinc/82/38/22/1068823822.db2.gz IMDUOQPENHXRIU-FQEVSTJZSA-N 1 1 488.643 3.787 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCOc2cc(C)cc(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001306389192 1068825557 /nfs/dbraw/zinc/82/55/57/1068825557.db2.gz YRJJTOZPFRWYHC-GGAORHGYSA-N 1 1 455.647 3.818 20 0 JHADMO CC[C@H](Cn1c(N2CCN(CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390418 1068829320 /nfs/dbraw/zinc/82/93/20/1068829320.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@H](Cn1c(N2CCN(CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390418 1068829339 /nfs/dbraw/zinc/82/93/39/1068829339.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001306390749 1068829728 /nfs/dbraw/zinc/82/97/28/1068829728.db2.gz UPFCTWHAKLHXCX-XQBPLPMBSA-N 1 1 489.064 3.597 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001306391904 1068832858 /nfs/dbraw/zinc/83/28/58/1068832858.db2.gz YVNPCYYFDKZOII-PGRDOPGGSA-N 1 1 489.064 3.740 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001306393536 1068835111 /nfs/dbraw/zinc/83/51/11/1068835111.db2.gz SOQIVTDSBFROKU-FYYLOGMGSA-N 1 1 491.640 3.585 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)COC)C[C@H]1[NH+]1CCOCC1 ZINC001306394461 1068837421 /nfs/dbraw/zinc/83/74/21/1068837421.db2.gz LPRAFLPZDMKQFI-TXTKFYIRSA-N 1 1 489.636 3.777 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@@H](C)O1 ZINC001306400947 1068859873 /nfs/dbraw/zinc/85/98/73/1068859873.db2.gz PBCNBNFVRKYTCJ-DWQJTFDBSA-N 1 1 463.667 3.803 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)CC[N@H+]1CCOC ZINC001306400876 1068860069 /nfs/dbraw/zinc/86/00/69/1068860069.db2.gz HGTPVMZEISTJBY-HXUWFJFHSA-N 1 1 488.995 3.759 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[C@H](O)C2)CC[N@H+]1CCOC ZINC001306401535 1068861156 /nfs/dbraw/zinc/86/11/56/1068861156.db2.gz IZHAZEXYMFNLCF-QIJUGHKUSA-N 1 1 462.038 3.697 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCSCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402397 1068863929 /nfs/dbraw/zinc/86/39/29/1068863929.db2.gz RIWULCBAEALVAR-NZQKXSOJSA-N 1 1 473.687 3.890 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCN1CCOC ZINC001306402488 1068863956 /nfs/dbraw/zinc/86/39/56/1068863956.db2.gz BAGSXNCGRXDYHZ-DHIUTWEWSA-N 1 1 484.620 3.836 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCSCC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402398 1068863998 /nfs/dbraw/zinc/86/39/98/1068863998.db2.gz RIWULCBAEALVAR-OFNKIYASSA-N 1 1 473.687 3.890 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402944 1068865788 /nfs/dbraw/zinc/86/57/88/1068865788.db2.gz PFYGVADVMGBIQQ-GHTZIAJQSA-N 1 1 493.599 3.909 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402947 1068865905 /nfs/dbraw/zinc/86/59/05/1068865905.db2.gz PFYGVADVMGBIQQ-RXVVDRJESA-N 1 1 493.599 3.909 20 0 JHADMO 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C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887995 721447717 /nfs/dbraw/zinc/44/77/17/721447717.db2.gz LLJWRBGVSIIJTE-KXBFYZLASA-N 1 1 465.372 3.579 20 0 JHADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164893303 721448202 /nfs/dbraw/zinc/44/82/02/721448202.db2.gz ZAHHRTANJQFDGQ-SQJMNOBHSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884437 721448229 /nfs/dbraw/zinc/44/82/29/721448229.db2.gz BFKNEEUTQXMPNZ-KOSHJBKYSA-N 1 1 475.996 3.827 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784456 721450363 /nfs/dbraw/zinc/45/03/63/721450363.db2.gz FIQFJZJBTYKJSK-LJQANCHMSA-N 1 1 466.022 3.646 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890314 721452055 /nfs/dbraw/zinc/45/20/55/721452055.db2.gz QSFTYQZOPXVWDA-FPOVZHCZSA-N 1 1 454.993 3.620 20 0 JHADMO 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0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@@H+]3C2)c1 ZINC001164904681 721562823 /nfs/dbraw/zinc/56/28/23/721562823.db2.gz FFALXDRIDZRBKS-NVXWUHKLSA-N 1 1 465.863 3.811 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@H+]3C2)c1 ZINC001164904681 721562828 /nfs/dbraw/zinc/56/28/28/721562828.db2.gz FFALXDRIDZRBKS-NVXWUHKLSA-N 1 1 465.863 3.811 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799574 721564220 /nfs/dbraw/zinc/56/42/20/721564220.db2.gz CPOSEOVEONGQMI-XUVXKRRUSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799574 721564226 /nfs/dbraw/zinc/56/42/26/721564226.db2.gz CPOSEOVEONGQMI-XUVXKRRUSA-N 1 1 470.936 3.720 20 0 JHADMO COC(=O)c1ccc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164906107 721587050 /nfs/dbraw/zinc/58/70/50/721587050.db2.gz LFKDVUDVBOWLGD-QHCPKHFHSA-N 1 1 453.493 3.549 20 0 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Cc1cc(NC(=O)c2cccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)no1 ZINC001164906468 721722858 /nfs/dbraw/zinc/72/28/58/721722858.db2.gz MDXUFJJVWWBIQL-HSZRJFAPSA-N 1 1 468.508 3.763 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913858 721726833 /nfs/dbraw/zinc/72/68/33/721726833.db2.gz YYYMMJXQOLEISC-HSZRJFAPSA-N 1 1 493.624 3.681 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001165011456 721741425 /nfs/dbraw/zinc/74/14/25/721741425.db2.gz XQBFSBPSXFCERF-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909795 721742409 /nfs/dbraw/zinc/74/24/09/721742409.db2.gz DQKANUPTVDBVBQ-WNJJXGMVSA-N 1 1 483.616 3.977 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001165009576 721746068 /nfs/dbraw/zinc/74/60/68/721746068.db2.gz GGVPRIZFKCSIRA-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165012221 721747044 /nfs/dbraw/zinc/74/70/44/721747044.db2.gz CZEWFRFWRDPFLE-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO c1ccc(Cc2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c3ccccc23)cc1 ZINC001164914208 721793321 /nfs/dbraw/zinc/79/33/21/721793321.db2.gz KSTPTYOZNBOKJO-LJAQVGFWSA-N 1 1 481.600 3.723 20 0 JHADMO c1ccc(Cc2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c3ccccc23)cc1 ZINC001164914208 721793325 /nfs/dbraw/zinc/79/33/25/721793325.db2.gz KSTPTYOZNBOKJO-LJAQVGFWSA-N 1 1 481.600 3.723 20 0 JHADMO Fc1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914492 721794698 /nfs/dbraw/zinc/79/46/98/721794698.db2.gz OBWDLHRDTZYXEQ-NDEPHWFRSA-N 1 1 485.563 3.939 20 0 JHADMO Fc1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914492 721794700 /nfs/dbraw/zinc/79/47/00/721794700.db2.gz OBWDLHRDTZYXEQ-NDEPHWFRSA-N 1 1 485.563 3.939 20 0 JHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913246 721799752 /nfs/dbraw/zinc/79/97/52/721799752.db2.gz BVMQTYSXRWOAJU-DEOSSOPVSA-N 1 1 474.939 3.978 20 0 JHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913246 721799756 /nfs/dbraw/zinc/79/97/56/721799756.db2.gz BVMQTYSXRWOAJU-DEOSSOPVSA-N 1 1 474.939 3.978 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913208 721799997 /nfs/dbraw/zinc/79/99/97/721799997.db2.gz BGIRKPDNFRRFJK-AHKZPQOWSA-N 1 1 465.642 3.521 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165027277 721801145 /nfs/dbraw/zinc/80/11/45/721801145.db2.gz VIMYZIGJRIOGBP-KFKAGJAMSA-N 1 1 479.959 3.984 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]21 ZINC001165017760 721804998 /nfs/dbraw/zinc/80/49/98/721804998.db2.gz AKNPGQLKKOIYEE-MISYRCLQSA-N 1 1 493.002 3.643 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001165020692 721819589 /nfs/dbraw/zinc/81/95/89/721819589.db2.gz CNSZYAQSPXNFDF-JMUQELJHSA-N 1 1 451.615 3.690 20 0 JHADMO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165025059 721829940 /nfs/dbraw/zinc/82/99/40/721829940.db2.gz LINDCNRKWBYDIR-CGTJXYLNSA-N 1 1 450.965 3.873 20 0 JHADMO COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001165020441 721839971 /nfs/dbraw/zinc/83/99/71/721839971.db2.gz JEKKJAZMUFMQBR-UHFFFAOYSA-N 1 1 460.022 3.715 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926264 721871364 /nfs/dbraw/zinc/87/13/64/721871364.db2.gz QZLOMVHFKCEHKB-RTBURBONSA-N 1 1 465.118 3.612 20 0 JHADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926264 721871367 /nfs/dbraw/zinc/87/13/67/721871367.db2.gz QZLOMVHFKCEHKB-RTBURBONSA-N 1 1 465.118 3.612 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934574 721879733 /nfs/dbraw/zinc/87/97/33/721879733.db2.gz SDKNBJQEYXDHBH-NHCUHLMSSA-N 1 1 468.715 3.771 20 0 JHADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934574 721879734 /nfs/dbraw/zinc/87/97/34/721879734.db2.gz SDKNBJQEYXDHBH-NHCUHLMSSA-N 1 1 468.715 3.771 20 0 JHADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)C[C@H]21 ZINC001164947243 721956416 /nfs/dbraw/zinc/95/64/16/721956416.db2.gz PHANUZJREOFQHI-YADHBBJMSA-N 1 1 496.681 3.988 20 0 JHADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946370 721981929 /nfs/dbraw/zinc/98/19/29/721981929.db2.gz DJQYZTAGFMECTP-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946370 721981931 /nfs/dbraw/zinc/98/19/31/721981931.db2.gz DJQYZTAGFMECTP-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955869 722019219 /nfs/dbraw/zinc/01/92/19/722019219.db2.gz QBHWKBTUTIHTRQ-UHFFFAOYSA-N 1 1 457.557 3.901 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164962290 722042111 /nfs/dbraw/zinc/04/21/11/722042111.db2.gz OJCWUQVKTQVRCO-ZIFCJYIRSA-N 1 1 480.638 3.694 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1C ZINC001164962425 722059197 /nfs/dbraw/zinc/05/91/97/722059197.db2.gz RWDTWYQECMCYJE-UHFFFAOYSA-N 1 1 495.649 3.999 20 0 JHADMO F[C@@]1(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164967557 722073139 /nfs/dbraw/zinc/07/31/39/722073139.db2.gz PSFKXJPTZZDDCS-YDIMBITNSA-N 1 1 492.426 3.717 20 0 JHADMO F[C@@]1(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164967557 722073141 /nfs/dbraw/zinc/07/31/41/722073141.db2.gz PSFKXJPTZZDDCS-YDIMBITNSA-N 1 1 492.426 3.717 20 0 JHADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164968130 722077697 /nfs/dbraw/zinc/07/76/97/722077697.db2.gz RXQXGPDNAUWHTQ-HDICACEKSA-N 1 1 450.917 3.650 20 0 JHADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164968130 722077698 /nfs/dbraw/zinc/07/76/98/722077698.db2.gz RXQXGPDNAUWHTQ-HDICACEKSA-N 1 1 450.917 3.650 20 0 JHADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CCO2 ZINC001164968874 722083839 /nfs/dbraw/zinc/08/38/39/722083839.db2.gz IPJSYLMXDQITSJ-QYBDOPJKSA-N 1 1 483.682 3.630 20 0 JHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982766 722105201 /nfs/dbraw/zinc/10/52/01/722105201.db2.gz OVOVISCJTPIRQO-LAUBAEHRSA-N 1 1 459.928 3.950 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109028 /nfs/dbraw/zinc/10/90/28/722109028.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 1 1 469.633 3.762 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109029 /nfs/dbraw/zinc/10/90/29/722109029.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 1 1 469.633 3.762 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109064 /nfs/dbraw/zinc/10/90/64/722109064.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 1 1 469.633 3.762 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109069 /nfs/dbraw/zinc/10/90/69/722109069.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 1 1 469.633 3.762 20 0 JHADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)CC[C@@H]32)cs1 ZINC001164985190 722181994 /nfs/dbraw/zinc/18/19/94/722181994.db2.gz ARRGIXUQRFYATH-LEWJYISDSA-N 1 1 498.653 3.613 20 0 JHADMO COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)n2)cc1 ZINC001164987063 722186217 /nfs/dbraw/zinc/18/62/17/722186217.db2.gz IZVSVXCBVRWHLI-DNQXCXABSA-N 1 1 494.665 3.756 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@@H]32)n1 ZINC001164998230 722216179 /nfs/dbraw/zinc/21/61/79/722216179.db2.gz VEVUEZQSOZXQTF-GBESFXJTSA-N 1 1 459.660 3.658 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(-c4ccccc4)c(-c4ccccc4)n2)CC3)CC1 ZINC001164997780 722232639 /nfs/dbraw/zinc/23/26/39/722232639.db2.gz WPRMVOIGPRGSDA-UHFFFAOYSA-N 1 1 477.616 3.958 20 0 JHADMO Cc1ccc(-c2nnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c3ccccc32)cc1 ZINC001165001233 722237005 /nfs/dbraw/zinc/23/70/05/722237005.db2.gz DYPXAGZZCCXUAM-UHFFFAOYSA-N 1 1 465.605 3.752 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4scc(-c5ccc(F)cc5)c42)CC3)CC1 ZINC001165001551 722237083 /nfs/dbraw/zinc/23/70/83/722237083.db2.gz ISKNFTMUALVHCV-UHFFFAOYSA-N 1 1 475.597 3.644 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccs2)CC[N@H+]1CCOC ZINC001306621933 1069311341 /nfs/dbraw/zinc/31/13/41/1069311341.db2.gz GLMGPSRONJMEKE-SFHVURJKSA-N 1 1 476.050 3.630 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001306624192 1069317531 /nfs/dbraw/zinc/31/75/31/1069317531.db2.gz MLJVJBJGMUGAJO-CUNXSJBXSA-N 1 1 496.656 3.703 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001306624515 1069317877 /nfs/dbraw/zinc/31/78/77/1069317877.db2.gz ZCPARGAMHNZLOJ-GOSISDBHSA-N 1 1 468.980 3.976 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001306624448 1069318190 /nfs/dbraw/zinc/31/81/90/1069318190.db2.gz KDAHQCLDXQTXOD-VIZSFHNOSA-N 1 1 451.681 3.743 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001306624517 1069318246 /nfs/dbraw/zinc/31/82/46/1069318246.db2.gz ZCPARGAMHNZLOJ-SFHVURJKSA-N 1 1 468.980 3.976 20 0 JHADMO COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC001311292808 1069318594 /nfs/dbraw/zinc/31/85/94/1069318594.db2.gz UTGQHLXKSOMNNM-DENIHFKCSA-N 1 1 450.583 3.644 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@H+]1CCOC ZINC001306624891 1069318694 /nfs/dbraw/zinc/31/86/94/1069318694.db2.gz MVXVSCWNZLCASL-FGZHOGPDSA-N 1 1 490.693 3.740 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001306626201 1069320573 /nfs/dbraw/zinc/32/05/73/1069320573.db2.gz FIRCUUFFNXWKEJ-QHAWAJNXSA-N 1 1 491.627 3.899 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC[N@H+]1CCOC ZINC001306628100 1069325566 /nfs/dbraw/zinc/32/55/66/1069325566.db2.gz DEBARKCXXHYXTH-XLGIIRLISA-N 1 1 477.694 3.532 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@H+]1CCOC ZINC001306628544 1069326275 /nfs/dbraw/zinc/32/62/75/1069326275.db2.gz GLWQRNPLJGWGRL-GHTZIAJQSA-N 1 1 477.650 3.628 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001306628551 1069327072 /nfs/dbraw/zinc/32/70/72/1069327072.db2.gz GOTNMQQUSFYKIS-HXUWFJFHSA-N 1 1 461.626 4.000 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001306629067 1069327607 /nfs/dbraw/zinc/32/76/07/1069327607.db2.gz IFZFAJPVVGYOCJ-SFTDATJTSA-N 1 1 479.620 3.512 20 0 JHADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001311341744 1069329769 /nfs/dbraw/zinc/32/97/69/1069329769.db2.gz VMEIWWAUPPECCM-FDDCHVKYSA-N 1 1 454.596 3.628 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)CC[N@H+]1CCOC ZINC001306632003 1069333310 /nfs/dbraw/zinc/33/33/10/1069333310.db2.gz VROMGCVUSZLBLP-YADHBBJMSA-N 1 1 471.694 3.886 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306634411 1069339648 /nfs/dbraw/zinc/33/96/48/1069339648.db2.gz IGVJOKDWESCLPA-SSGKUCQKSA-N 1 1 477.694 3.703 20 0 JHADMO CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311366320 1069346652 /nfs/dbraw/zinc/34/66/52/1069346652.db2.gz BDVCMBVRTZJAAM-LOSJGSFVSA-N 1 1 454.590 3.505 20 0 JHADMO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001311377508 1069350962 /nfs/dbraw/zinc/35/09/62/1069350962.db2.gz BMXHDMFQTVCXMA-IBGZPJMESA-N 1 1 459.432 3.892 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CC[N@H+]1CCOC ZINC001306647873 1069360380 /nfs/dbraw/zinc/36/03/80/1069360380.db2.gz QAUUAMZKMYSHMX-QFIPXVFZSA-N 1 1 464.614 3.643 20 0 JHADMO C[N@@H+](CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC001311401032 1069362249 /nfs/dbraw/zinc/36/22/49/1069362249.db2.gz OUZZDQJBTZYFGG-YADHBBJMSA-N 1 1 466.667 3.745 20 0 JHADMO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306657035 1069369844 /nfs/dbraw/zinc/36/98/44/1069369844.db2.gz XFIQSKNPRXHPPB-WIOPSUGQSA-N 1 1 496.700 3.989 20 0 JHADMO O=C(NCCCCN1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001311430173 1069375848 /nfs/dbraw/zinc/37/58/48/1069375848.db2.gz IDNHHRVVWIOXHE-AREMUKBSSA-N 1 1 456.675 3.965 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001306664833 1069390000 /nfs/dbraw/zinc/39/00/00/1069390000.db2.gz KJHPZAHDZANSBX-DHIUTWEWSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306664262 1069387827 /nfs/dbraw/zinc/38/78/27/1069387827.db2.gz GSMHEEMMOLVWFL-AOHZBQACSA-N 1 1 488.721 3.767 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC001311463599 1069391048 /nfs/dbraw/zinc/39/10/48/1069391048.db2.gz JXHIMXWVASYTLO-FCHUYYIVSA-N 1 1 453.587 3.565 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC001311463599 1069391064 /nfs/dbraw/zinc/39/10/64/1069391064.db2.gz JXHIMXWVASYTLO-FCHUYYIVSA-N 1 1 453.587 3.565 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC001306665976 1069393112 /nfs/dbraw/zinc/39/31/12/1069393112.db2.gz RJIDMFUVRMNQKS-UHFFFAOYSA-N 1 1 492.672 3.889 20 0 JHADMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001311481228 1069397651 /nfs/dbraw/zinc/39/76/51/1069397651.db2.gz ZVIHCLFPYIPVSA-OAQYLSRUSA-N 1 1 459.635 3.587 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001306678704 1069403635 /nfs/dbraw/zinc/40/36/35/1069403635.db2.gz BTBUUOUJTYRWLH-UHFFFAOYSA-N 1 1 492.709 3.818 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001306679285 1069404253 /nfs/dbraw/zinc/40/42/53/1069404253.db2.gz QAMCVPGJWNEAHJ-QHCPKHFHSA-N 1 1 482.673 3.986 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(O)c2)CC1 ZINC001306680134 1069406561 /nfs/dbraw/zinc/40/65/61/1069406561.db2.gz PRZSCPZMPQZGCR-UHFFFAOYSA-N 1 1 465.646 3.842 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306680216 1069407075 /nfs/dbraw/zinc/40/70/75/1069407075.db2.gz BIWZFKPBFPJDEE-MOPGFXCFSA-N 1 1 477.053 3.860 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2)CC1 ZINC001306680317 1069407273 /nfs/dbraw/zinc/40/72/73/1069407273.db2.gz WNVPIPRSPGCASO-QFIPXVFZSA-N 1 1 456.610 3.559 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001306680674 1069407553 /nfs/dbraw/zinc/40/75/53/1069407553.db2.gz YFBMXDXAGXCVSP-OAQYLSRUSA-N 1 1 462.683 3.630 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306681546 1069410700 /nfs/dbraw/zinc/41/07/00/1069410700.db2.gz NIDRWEFSDGORJP-XLIONFOSSA-N 1 1 479.467 3.783 20 0 JHADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499533 1069408576 /nfs/dbraw/zinc/40/85/76/1069408576.db2.gz YUICGUHRNNPANY-VGSWGCGISA-N 1 1 456.537 3.801 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306681125 1069409839 /nfs/dbraw/zinc/40/98/39/1069409839.db2.gz JVYGBGSZKOXFLH-UHFFFAOYSA-N 1 1 479.467 3.790 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001306682650 1069414065 /nfs/dbraw/zinc/41/40/65/1069414065.db2.gz KPUFZZYZQXPQCB-ROUUACIJSA-N 1 1 451.930 3.584 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001306683781 1069418023 /nfs/dbraw/zinc/41/80/23/1069418023.db2.gz AQKRWHFMCLROMD-OYRHEFFESA-N 1 1 460.667 3.971 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306685849 1069421331 /nfs/dbraw/zinc/42/13/31/1069421331.db2.gz MAIRPTHOIPNGCE-OAQYLSRUSA-N 1 1 489.064 3.520 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001306686934 1069423102 /nfs/dbraw/zinc/42/31/02/1069423102.db2.gz CHFWSESHBBYLOB-JOCHJYFZSA-N 1 1 460.667 3.527 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COCC)nnc1N1CCc2cccc(Br)c2C1 ZINC001306688984 1069425973 /nfs/dbraw/zinc/42/59/73/1069425973.db2.gz RGSNXMKIQNJDCB-UHFFFAOYSA-N 1 1 450.425 3.872 20 0 JHADMO 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O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001307705065 1070135964 /nfs/dbraw/zinc/13/59/64/1070135964.db2.gz ILLNJPMJKKXEMQ-FYYLOGMGSA-N 1 1 452.378 3.952 20 0 JHADMO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704174 1070135996 /nfs/dbraw/zinc/13/59/96/1070135996.db2.gz AZNVUENXIHNXER-CJNGLKHVSA-N 1 1 452.304 3.657 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC001307707747 1070136804 /nfs/dbraw/zinc/13/68/04/1070136804.db2.gz KDERTWXGCCLIJD-IRLDBZIGSA-N 1 1 455.647 3.835 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314340689 1070138714 /nfs/dbraw/zinc/13/87/14/1070138714.db2.gz CJSJFSVBXYXRDS-RBUKOAKNSA-N 1 1 474.616 3.646 20 0 JHADMO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001314341091 1070140287 /nfs/dbraw/zinc/14/02/87/1070140287.db2.gz GBKWQIXIYIUJOV-CTNGQTDRSA-N 1 1 476.666 3.525 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001314342172 1070142621 /nfs/dbraw/zinc/14/26/21/1070142621.db2.gz QCGCHPHVUBAJAA-URXFXBBRSA-N 1 1 455.647 3.978 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001314342171 1070142691 /nfs/dbraw/zinc/14/26/91/1070142691.db2.gz QCGCHPHVUBAJAA-QPPBQGQZSA-N 1 1 455.647 3.978 20 0 JHADMO COc1ccc(CN(CCO)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001312822633 1070143097 /nfs/dbraw/zinc/14/30/97/1070143097.db2.gz MTHHKPKYTAIJIL-JOCHJYFZSA-N 1 1 455.599 3.510 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001314342363 1070143432 /nfs/dbraw/zinc/14/34/32/1070143432.db2.gz SUHPHVNVQXLTBZ-OAQYLSRUSA-N 1 1 478.682 3.771 20 0 JHADMO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314344987 1070149811 /nfs/dbraw/zinc/14/98/11/1070149811.db2.gz DKIUJOMQUKEGLQ-VQTJNVASSA-N 1 1 478.682 3.676 20 0 JHADMO 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CC[C@H]1C[N@@H+](C)CCN1Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC001307802001 1070188686 /nfs/dbraw/zinc/18/86/86/1070188686.db2.gz DNMAPDWFTIAWTM-KRWDZBQOSA-N 1 1 453.612 3.688 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001314364643 1070192733 /nfs/dbraw/zinc/19/27/33/1070192733.db2.gz NPLRWIWHIAFMFV-HXUWFJFHSA-N 1 1 453.591 3.536 20 0 JHADMO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@@H](c3ccccc3)[C@H](O)c3ccccc3)cc2)CC1 ZINC001307809716 1070193238 /nfs/dbraw/zinc/19/32/38/1070193238.db2.gz FAWHUKAOQKLJMO-WUFINQPMSA-N 1 1 458.606 3.832 20 0 JHADMO C[C@H](NC(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810270 1070193352 /nfs/dbraw/zinc/19/33/52/1070193352.db2.gz ASZHSDQWHABYQP-AOMKIAJQSA-N 1 1 454.464 3.829 20 0 JHADMO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCOC(C)(C)C1 ZINC001307810586 1070194158 /nfs/dbraw/zinc/19/41/58/1070194158.db2.gz CYNZVPLKDJFOBM-GOSISDBHSA-N 1 1 453.539 3.886 20 0 JHADMO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC001307816853 1070197655 /nfs/dbraw/zinc/19/76/55/1070197655.db2.gz GVUNBWMTHFLBBN-UHFFFAOYSA-N 1 1 450.505 3.679 20 0 JHADMO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC001307816853 1070197660 /nfs/dbraw/zinc/19/76/60/1070197660.db2.gz GVUNBWMTHFLBBN-UHFFFAOYSA-N 1 1 450.505 3.679 20 0 JHADMO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(OC)c1 ZINC001307816658 1070197671 /nfs/dbraw/zinc/19/76/71/1070197671.db2.gz OQMTXCINJWXKBG-HXUWFJFHSA-N 1 1 453.308 3.603 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314369923 1070206088 /nfs/dbraw/zinc/20/60/88/1070206088.db2.gz TYJLXUWISJQEAU-VWNXMTODSA-N 1 1 465.646 3.990 20 0 JHADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C(C)C ZINC001307845210 1070209905 /nfs/dbraw/zinc/20/99/05/1070209905.db2.gz RJHXNODSAFGPGH-IBGZPJMESA-N 1 1 459.612 3.824 20 0 JHADMO CCOc1cc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)nc2nc(C(F)(F)F)nn21 ZINC001307851724 1070211563 /nfs/dbraw/zinc/21/15/63/1070211563.db2.gz UTKRBHJGLAOAQZ-AWEZNQCLSA-N 1 1 457.497 3.876 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001314374187 1070212597 /nfs/dbraw/zinc/21/25/97/1070212597.db2.gz AJVGVTUHYJTKSI-QFIPXVFZSA-N 1 1 489.064 3.695 20 0 JHADMO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001307877444 1070220504 /nfs/dbraw/zinc/22/05/04/1070220504.db2.gz MCDHQPVWQBWZKE-HXUWFJFHSA-N 1 1 454.546 3.509 20 0 JHADMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccc(Cl)cc1 ZINC001307881773 1070222454 /nfs/dbraw/zinc/22/24/54/1070222454.db2.gz CLEHMUHVEIAHKQ-VWPQPMDRSA-N 1 1 462.924 3.998 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307895406 1070228964 /nfs/dbraw/zinc/22/89/64/1070228964.db2.gz ZUOXGTCMEGAIKH-RDJZCZTQSA-N 1 1 459.509 3.578 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307895406 1070228975 /nfs/dbraw/zinc/22/89/75/1070228975.db2.gz ZUOXGTCMEGAIKH-RDJZCZTQSA-N 1 1 459.509 3.578 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001314384649 1070229243 /nfs/dbraw/zinc/22/92/43/1070229243.db2.gz HJOFOWBHDCOVFL-QHCPKHFHSA-N 1 1 484.645 3.538 20 0 JHADMO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908354 1070234386 /nfs/dbraw/zinc/23/43/86/1070234386.db2.gz LVFOQDKMVUAXFD-WUHBCXKYSA-N 1 1 468.491 3.835 20 0 JHADMO COc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001307908354 1070234397 /nfs/dbraw/zinc/23/43/97/1070234397.db2.gz LVFOQDKMVUAXFD-WUHBCXKYSA-N 1 1 468.491 3.835 20 0 JHADMO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314387968 1070237059 /nfs/dbraw/zinc/23/70/59/1070237059.db2.gz FKHOSFWFUTXIHM-QHAWAJNXSA-N 1 1 475.707 3.522 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1ccc(OC)c(OC)c1 ZINC001314388223 1070238264 /nfs/dbraw/zinc/23/82/64/1070238264.db2.gz IDFNEJXUVLNBQQ-GOSISDBHSA-N 1 1 471.627 3.825 20 0 JHADMO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1nc(N)nc(Cl)n1 ZINC001307920371 1070242648 /nfs/dbraw/zinc/24/26/48/1070242648.db2.gz KDBPTLHZYARBPL-APHBMKBZSA-N 1 1 450.946 3.690 20 0 JHADMO Cc1cc([C@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3Cc3ccccc3)C2)c(O)cc1Cl ZINC001313089274 1070247070 /nfs/dbraw/zinc/24/70/70/1070247070.db2.gz OKAWQKDEEUQUSE-SFTDATJTSA-N 1 1 457.018 3.669 20 0 JHADMO Cc1cc([C@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3Cc3ccccc3)C2)c(O)cc1Cl ZINC001313089274 1070247081 /nfs/dbraw/zinc/24/70/81/1070247081.db2.gz OKAWQKDEEUQUSE-SFTDATJTSA-N 1 1 457.018 3.669 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001314392162 1070247273 /nfs/dbraw/zinc/24/72/73/1070247273.db2.gz ZXVJAIFDAYSCJI-MRXNPFEDSA-N 1 1 491.459 3.965 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001314392161 1070247329 /nfs/dbraw/zinc/24/73/29/1070247329.db2.gz ZXVJAIFDAYSCJI-INIZCTEOSA-N 1 1 491.459 3.965 20 0 JHADMO O=C(C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)Nc1nc2ccccc2s1 ZINC001307942466 1070252759 /nfs/dbraw/zinc/25/27/59/1070252759.db2.gz XASFNACUVGUFDC-OAHLLOKOSA-N 1 1 454.518 3.748 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001314395793 1070254227 /nfs/dbraw/zinc/25/42/27/1070254227.db2.gz GYPFGAKNHOHUKP-LJQANCHMSA-N 1 1 492.690 3.844 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001314395722 1070254262 /nfs/dbraw/zinc/25/42/62/1070254262.db2.gz FODYWHSKYFWQLL-UHFFFAOYSA-N 1 1 496.559 3.583 20 0 JHADMO CCOCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cc(Cl)ccc1OC ZINC001314399032 1070258580 /nfs/dbraw/zinc/25/85/80/1070258580.db2.gz RJVOVONHRMCTOC-BGYRXZFFSA-N 1 1 491.080 3.520 20 0 JHADMO CC[C@@H](NC(=O)C[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccc(Cl)cc1 ZINC001307968915 1070263046 /nfs/dbraw/zinc/26/30/46/1070263046.db2.gz MPRSMQQRRYURGB-OAQYLSRUSA-N 1 1 452.990 3.977 20 0 JHADMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CC(=O)NCC(=O)Nc2ccccc2Br)c1 ZINC001307972002 1070263846 /nfs/dbraw/zinc/26/38/46/1070263846.db2.gz HPVUZKRIAJWNEI-QHCPKHFHSA-N 1 1 458.400 3.909 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1 ZINC001313134145 1070263928 /nfs/dbraw/zinc/26/39/28/1070263928.db2.gz YJFKAFMBZQQICE-SFIUMABJSA-N 1 1 451.611 3.904 20 0 JHADMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1C ZINC001307971329 1070264077 /nfs/dbraw/zinc/26/40/77/1070264077.db2.gz YEIPEQBZWJWKGE-LJQANCHMSA-N 1 1 459.612 3.810 20 0 JHADMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC001307971329 1070264086 /nfs/dbraw/zinc/26/40/86/1070264086.db2.gz YEIPEQBZWJWKGE-LJQANCHMSA-N 1 1 459.612 3.810 20 0 JHADMO COc1cccc([C@@H](O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)c1 ZINC001307978711 1070266801 /nfs/dbraw/zinc/26/68/01/1070266801.db2.gz UXYCRGPZGLDZDD-BVZFJXPGSA-N 1 1 451.567 3.595 20 0 JHADMO COc1cccc([C@H](O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)c1 ZINC001307978713 1070267095 /nfs/dbraw/zinc/26/70/95/1070267095.db2.gz UXYCRGPZGLDZDD-IQGLISFBSA-N 1 1 451.567 3.595 20 0 JHADMO CCOCc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001314408846 1070272995 /nfs/dbraw/zinc/27/29/95/1070272995.db2.gz PZKFTPNWUNPRPH-FXAWDEMLSA-N 1 1 467.536 3.896 20 0 JHADMO CCOCc1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314408505 1070273027 /nfs/dbraw/zinc/27/30/27/1070273027.db2.gz NZFZFINJZBLIRO-AOHZBQACSA-N 1 1 485.673 3.855 20 0 JHADMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307993768 1070272884 /nfs/dbraw/zinc/27/28/84/1070272884.db2.gz SVRVWEJKRDAXDX-AZUAARDMSA-N 1 1 458.603 3.910 20 0 JHADMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307993768 1070272893 /nfs/dbraw/zinc/27/28/93/1070272893.db2.gz SVRVWEJKRDAXDX-AZUAARDMSA-N 1 1 458.603 3.910 20 0 JHADMO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001313163480 1070275362 /nfs/dbraw/zinc/27/53/62/1070275362.db2.gz OKBOHUUWIFPHHP-MCEYFSPLSA-N 1 1 456.631 3.987 20 0 JHADMO COc1ccc(CN2CCN(C(=O)NC[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)cc1F ZINC001313164502 1070275382 /nfs/dbraw/zinc/27/53/82/1070275382.db2.gz MZDYOZNJCZTNOP-HSZRJFAPSA-N 1 1 454.590 3.716 20 0 JHADMO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[NH+]3CCN(c4ccc(F)cc4F)CC3)C2)CC1 ZINC001308007997 1070277498 /nfs/dbraw/zinc/27/74/98/1070277498.db2.gz IPSBEPVLPFRCJM-LJQANCHMSA-N 1 1 451.558 3.893 20 0 JHADMO 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 1070285729 /nfs/dbraw/zinc/28/57/29/1070285729.db2.gz VVEAZTCILQLXDM-BJKOFHAPSA-N 1 1 455.640 3.621 20 0 JHADMO 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NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Br ZINC001308663762 1070414129 /nfs/dbraw/zinc/41/41/29/1070414129.db2.gz UPRJAIQCCRESDN-CQSZACIVSA-N 1 1 450.358 3.617 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(OC)C2CC2)CC1 ZINC001314495607 1070414643 /nfs/dbraw/zinc/41/46/43/1070414643.db2.gz JAQZDWQBQPKSQP-QHCPKHFHSA-N 1 1 492.462 3.681 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)cc2)C[C@@H]1CC ZINC001314495822 1070415330 /nfs/dbraw/zinc/41/53/30/1070415330.db2.gz LBCUWSPKESHKMT-QFIPXVFZSA-N 1 1 452.578 3.773 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001314496990 1070418861 /nfs/dbraw/zinc/41/88/61/1070418861.db2.gz VIJVRCJHWDCRCN-UHFFFAOYSA-N 1 1 496.559 3.636 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(OC)CCC(C)CC2)C[C@@H]1CC ZINC001314496810 1070418890 /nfs/dbraw/zinc/41/88/90/1070418890.db2.gz UVDDALDHNXOLPX-HCYSDIRSSA-N 1 1 470.662 3.873 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(OC)CCC(C)CC2)C[C@H]1CC ZINC001314496807 1070418922 /nfs/dbraw/zinc/41/89/22/1070418922.db2.gz UVDDALDHNXOLPX-GUXMJAIHSA-N 1 1 470.662 3.873 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001314497142 1070419720 /nfs/dbraw/zinc/41/97/20/1070419720.db2.gz YBRJECVVSVXTSN-HSZRJFAPSA-N 1 1 463.630 3.642 20 0 JHADMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)C(=O)C1 ZINC001308701966 1070421790 /nfs/dbraw/zinc/42/17/90/1070421790.db2.gz QOOHCHMMAOTRSH-QFIPXVFZSA-N 1 1 450.583 3.792 20 0 JHADMO CCOc1ccc(Oc2c(CN3CC[N@@H+](CCO)[C@H](C)C3)c(C)nn2-c2ccccc2)cc1 ZINC001308710408 1070422888 /nfs/dbraw/zinc/42/28/88/1070422888.db2.gz UJCVGSCCEKKADR-HXUWFJFHSA-N 1 1 450.583 3.870 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(F)CCC2)CC1 ZINC001314498128 1070422897 /nfs/dbraw/zinc/42/28/97/1070422897.db2.gz ANWIMHLPWFWQBC-UHFFFAOYSA-N 1 1 451.537 3.588 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001314497854 1070422311 /nfs/dbraw/zinc/42/23/11/1070422311.db2.gz FABQVLHRAVZNRP-RBISFHTESA-N 1 1 499.700 3.864 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C)CC1 ZINC001314498415 1070423961 /nfs/dbraw/zinc/42/39/61/1070423961.db2.gz MGWWDFBRECARFR-CRAIPNDOSA-N 1 1 454.402 3.903 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@@H]1CC ZINC001314498741 1070424641 /nfs/dbraw/zinc/42/46/41/1070424641.db2.gz GAKQHVBGVZNKTL-RBUKOAKNSA-N 1 1 479.641 3.980 20 0 JHADMO CC(=O)N(c1nc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001308728261 1070426833 /nfs/dbraw/zinc/42/68/33/1070426833.db2.gz NEJFUBUNYFPWDO-HNNXBMFYSA-N 1 1 450.555 3.791 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1CC ZINC001314500361 1070430787 /nfs/dbraw/zinc/43/07/87/1070430787.db2.gz UOTIWIUMHAAKDK-QFIPXVFZSA-N 1 1 465.646 3.628 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2CC(F)(F)C2)C[C@@H]1CC ZINC001314500325 1070430815 /nfs/dbraw/zinc/43/08/15/1070430815.db2.gz SOPQYDHAXGJQHD-FQEVSTJZSA-N 1 1 465.564 3.990 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(F)c2)C[C@@H]1CC ZINC001314500541 1070431431 /nfs/dbraw/zinc/43/14/31/1070431431.db2.gz JPVHQKJGKYACDL-GOTSBHOMSA-N 1 1 459.610 3.839 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(Cl)s2)CC1 ZINC001314500747 1070432293 /nfs/dbraw/zinc/43/22/93/1070432293.db2.gz XLMLSKFLLGCDMA-UHFFFAOYSA-N 1 1 461.035 3.765 20 0 JHADMO COCCOC1(C[NH2+]Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCOCC1 ZINC001308775034 1070436654 /nfs/dbraw/zinc/43/66/54/1070436654.db2.gz UTIGZTFURUWEFF-UHFFFAOYSA-N 1 1 453.992 3.783 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(F)c(F)c2F)C[C@H]1CC ZINC001314502576 1070437464 /nfs/dbraw/zinc/43/74/64/1070437464.db2.gz BQCBYXJUYUBYFF-UYAOXDASSA-N 1 1 481.563 3.727 20 0 JHADMO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001314503876 1070442034 /nfs/dbraw/zinc/44/20/34/1070442034.db2.gz WOYCRBLAGDRPFB-GGAORHGYSA-N 1 1 455.647 3.922 20 0 JHADMO Cc1ccccc1-n1cc(C[NH+]2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)nn1 ZINC001308818132 1070442815 /nfs/dbraw/zinc/44/28/15/1070442815.db2.gz SAQJZIXLLXYWJG-NFBKMPQASA-N 1 1 455.603 3.860 20 0 JHADMO Cn1cc([C@@H]2C[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001308829635 1070444133 /nfs/dbraw/zinc/44/41/33/1070444133.db2.gz COQVHYHPAFTPSG-FUHWJXTLSA-N 1 1 472.483 3.993 20 0 JHADMO Cn1cc([C@@H]2C[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001308829635 1070444138 /nfs/dbraw/zinc/44/41/38/1070444138.db2.gz COQVHYHPAFTPSG-FUHWJXTLSA-N 1 1 472.483 3.993 20 0 JHADMO COc1cc(Cl)c(C[NH+]2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)cc1OC ZINC001308850507 1070448297 /nfs/dbraw/zinc/44/82/97/1070448297.db2.gz GLGJJJBQQDHFEE-INIZCTEOSA-N 1 1 452.979 3.512 20 0 JHADMO CCOCCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314506882 1070453829 /nfs/dbraw/zinc/45/38/29/1070453829.db2.gz SZXJHXNEIOYFPD-GSPCLOLRSA-N 1 1 477.694 3.908 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCCn2cc[nH+]c2C)CC1 ZINC001314508795 1070460306 /nfs/dbraw/zinc/46/03/06/1070460306.db2.gz HINZPFPMOYFCRK-UHFFFAOYSA-N 1 1 491.061 3.987 20 0 JHADMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001308990490 1070471590 /nfs/dbraw/zinc/47/15/90/1070471590.db2.gz SCDOTIKFYRVQRN-HOYKHHGWSA-N 1 1 453.624 3.830 20 0 JHADMO COc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)[NH+]2CCCCC2)cc1 ZINC001309005962 1070478957 /nfs/dbraw/zinc/47/89/57/1070478957.db2.gz YIBFGVZKTDJEOM-XMMPIXPASA-N 1 1 454.596 3.528 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314515984 1070488992 /nfs/dbraw/zinc/48/89/92/1070488992.db2.gz IBKNFHHIUUEQMW-ROUUACIJSA-N 1 1 468.067 3.590 20 0 JHADMO CCCNC(=O)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001313482479 1070496242 /nfs/dbraw/zinc/49/62/42/1070496242.db2.gz WLJSYUKKWVBOJA-UHFFFAOYSA-N 1 1 456.610 3.703 20 0 JHADMO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313487864 1070505392 /nfs/dbraw/zinc/50/53/92/1070505392.db2.gz BBMZJYLUCRGDRA-UHFFFAOYSA-N 1 1 491.478 3.790 20 0 JHADMO CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)OC)c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC001309050713 1070508528 /nfs/dbraw/zinc/50/85/28/1070508528.db2.gz ITDWIDQRWIDJQJ-FQEVSTJZSA-N 1 1 452.576 3.742 20 0 JHADMO CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)OC)c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC001309050713 1070508538 /nfs/dbraw/zinc/50/85/38/1070508538.db2.gz ITDWIDQRWIDJQJ-FQEVSTJZSA-N 1 1 452.576 3.742 20 0 JHADMO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313492197 1070512743 /nfs/dbraw/zinc/51/27/43/1070512743.db2.gz AKAGGBSEBQXHHS-REWPJTCUSA-N 1 1 452.647 3.951 20 0 JHADMO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313492196 1070512773 /nfs/dbraw/zinc/51/27/73/1070512773.db2.gz AKAGGBSEBQXHHS-OFNKIYASSA-N 1 1 452.647 3.951 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314523904 1070515636 /nfs/dbraw/zinc/51/56/36/1070515636.db2.gz JDNUOGNGMZDZIK-QHCPKHFHSA-N 1 1 496.681 3.513 20 0 JHADMO CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313497690 1070518560 /nfs/dbraw/zinc/51/85/60/1070518560.db2.gz QASQWNJNSLQPGC-NFBKMPQASA-N 1 1 480.682 3.946 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2C[C@@H]2CCCC[N@H+]2CC)cc1OC ZINC001313502662 1070529548 /nfs/dbraw/zinc/52/95/48/1070529548.db2.gz KORAWWPOQWPYTF-KDYSTLNUSA-N 1 1 498.672 3.579 20 0 JHADMO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001309101918 1070541251 /nfs/dbraw/zinc/54/12/51/1070541251.db2.gz YDRJJKNVUGMNBB-PBHICJAKSA-N 1 1 456.486 3.606 20 0 JHADMO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001309101918 1070541258 /nfs/dbraw/zinc/54/12/58/1070541258.db2.gz YDRJJKNVUGMNBB-PBHICJAKSA-N 1 1 456.486 3.606 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001313506948 1070550505 /nfs/dbraw/zinc/55/05/05/1070550505.db2.gz VCGRAIHBMPAHBM-NRFANRHFSA-N 1 1 498.672 3.533 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CCC[NH+]2CCOCC2)cc1OC ZINC001313507500 1070552736 /nfs/dbraw/zinc/55/27/36/1070552736.db2.gz XJMJGLXJAXWQCM-FQEVSTJZSA-N 1 1 457.619 3.701 20 0 JHADMO CCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001313510939 1070561043 /nfs/dbraw/zinc/56/10/43/1070561043.db2.gz PRIQDKKDLMHZRK-FUPPJEDESA-N 1 1 471.646 3.555 20 0 JHADMO CCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001313510939 1070561035 /nfs/dbraw/zinc/56/10/35/1070561035.db2.gz PRIQDKKDLMHZRK-FUPPJEDESA-N 1 1 471.646 3.555 20 0 JHADMO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)ccc1Br ZINC001309156204 1070573527 /nfs/dbraw/zinc/57/35/27/1070573527.db2.gz IJMMFSGDIOIJMS-QGZVFWFLSA-N 1 1 457.434 3.975 20 0 JHADMO 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CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001313887002 1071471523 /nfs/dbraw/zinc/47/15/23/1071471523.db2.gz GQUVMGFUFQFKOO-HXUWFJFHSA-N 1 1 462.683 3.950 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001313888049 1071475882 /nfs/dbraw/zinc/47/58/82/1071475882.db2.gz FZOZTPNMIBBKME-RBUKOAKNSA-N 1 1 493.743 3.877 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)C1 ZINC001313888283 1071475953 /nfs/dbraw/zinc/47/59/53/1071475953.db2.gz BGADJLGBXCRASE-DYXWJJEUSA-N 1 1 459.660 3.782 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001313889592 1071480674 /nfs/dbraw/zinc/48/06/74/1071480674.db2.gz IKRSVHRNZGQCSB-KBMIEXCESA-N 1 1 492.064 3.959 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001313889595 1071480776 /nfs/dbraw/zinc/48/07/76/1071480776.db2.gz IKRSVHRNZGQCSB-UQBPGWFLSA-N 1 1 492.064 3.959 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](OC)C(C)(C)C2)C1 ZINC001313888586 1071477663 /nfs/dbraw/zinc/47/76/63/1071477663.db2.gz CBDGIOPRHOSZBU-WIYYLYMNSA-N 1 1 459.660 3.782 20 0 JHADMO 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 1071477823 /nfs/dbraw/zinc/47/78/23/1071477823.db2.gz WVVHUQOLTGQUBF-AABGKKOBSA-N 1 1 478.682 3.942 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001313889575 1071480878 /nfs/dbraw/zinc/48/08/78/1071480878.db2.gz IILGHWJDEPBPAW-DHIUTWEWSA-N 1 1 496.700 3.947 20 0 JHADMO 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 1071479960 /nfs/dbraw/zinc/47/99/60/1071479960.db2.gz XPQOUKZOTFAEAU-NNTZPNAXSA-N 1 1 483.661 3.517 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001313889916 1071481501 /nfs/dbraw/zinc/48/15/01/1071481501.db2.gz KBBSJNXPGWFBFK-QFIPXVFZSA-N 1 1 482.673 3.591 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001314980871 1071483427 /nfs/dbraw/zinc/48/34/27/1071483427.db2.gz WTHHFEOXIDRIJF-REWPJTCUSA-N 1 1 482.673 3.679 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001314980865 1071483521 /nfs/dbraw/zinc/48/35/21/1071483521.db2.gz WTHHFEOXIDRIJF-NZQKXSOJSA-N 1 1 482.673 3.679 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001313890997 1071483775 /nfs/dbraw/zinc/48/37/75/1071483775.db2.gz RVJFYIQKQFSEEH-IBGZPJMESA-N 1 1 464.630 3.608 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001313891120 1071484787 /nfs/dbraw/zinc/48/47/87/1071484787.db2.gz SJKXKKNEWDFWCD-MRXNPFEDSA-N 1 1 483.510 3.686 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001313891533 1071485289 /nfs/dbraw/zinc/48/52/89/1071485289.db2.gz XCNDOWTWTAWIDA-MJGOQNOKSA-N 1 1 477.078 3.623 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1 ZINC001313892102 1071486327 /nfs/dbraw/zinc/48/63/27/1071486327.db2.gz BQOHZWKFOHPUCS-QGZVFWFLSA-N 1 1 476.398 3.664 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313892833 1071488739 /nfs/dbraw/zinc/48/87/39/1071488739.db2.gz JCVFTURSRZJFSR-HBMCJLEFSA-N 1 1 475.609 3.672 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893131 1071489365 /nfs/dbraw/zinc/48/93/65/1071489365.db2.gz KVSCFLMBXNMYNS-SYYKKAFVSA-N 1 1 484.645 3.787 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313893368 1071490174 /nfs/dbraw/zinc/49/01/74/1071490174.db2.gz MRTLMHLZYRUKGK-IEBWSBKVSA-N 1 1 496.578 3.519 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313895039 1071495693 /nfs/dbraw/zinc/49/56/93/1071495693.db2.gz KSJCWALEXDBDIU-SESVDKBCSA-N 1 1 460.667 3.702 20 0 JHADMO 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CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313897135 1071501421 /nfs/dbraw/zinc/50/14/21/1071501421.db2.gz UHGWXRUMYOFPJZ-MJGOQNOKSA-N 1 1 481.472 3.893 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313898139 1071504913 /nfs/dbraw/zinc/50/49/13/1071504913.db2.gz ONRXYHJYHPGUIL-IBGZPJMESA-N 1 1 495.653 3.777 20 0 JHADMO 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 1071505094 /nfs/dbraw/zinc/50/50/94/1071505094.db2.gz QJGMCKJKRIXTBI-IVAOSVALSA-N 1 1 476.666 3.601 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313899213 1071507161 /nfs/dbraw/zinc/50/71/61/1071507161.db2.gz HBAQPQRSQKISFO-HSZRJFAPSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)C1 ZINC001313900067 1071508997 /nfs/dbraw/zinc/50/89/97/1071508997.db2.gz ZACPMQNYAFCMGX-AWEZNQCLSA-N 1 1 460.380 3.535 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313899261 1071507879 /nfs/dbraw/zinc/50/78/79/1071507879.db2.gz IKHFSQHTODGJOB-GEFUHLBYSA-N 1 1 457.669 3.789 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313899637 1071508067 /nfs/dbraw/zinc/50/80/67/1071508067.db2.gz WUIJELMEIDYZCW-ACRUOGEOSA-N 1 1 476.666 3.555 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313900965 1071510087 /nfs/dbraw/zinc/51/00/87/1071510087.db2.gz TTWZYTJTIYRBBT-HSZRJFAPSA-N 1 1 468.690 3.990 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313900780 1071510226 /nfs/dbraw/zinc/51/02/26/1071510226.db2.gz PHCCMJTVXTUJPN-FYYLOGMGSA-N 1 1 487.092 3.995 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314993585 1071510447 /nfs/dbraw/zinc/51/04/47/1071510447.db2.gz IQZQFAVAFVDIKG-VXNXHJTFSA-N 1 1 496.700 3.886 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313903137 1071514691 /nfs/dbraw/zinc/51/46/91/1071514691.db2.gz MGKSWCXCPCEPMI-RDPSFJRHSA-N 1 1 495.590 3.914 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313902112 1071513235 /nfs/dbraw/zinc/51/32/35/1071513235.db2.gz JKNQQAFTRGPPIJ-VQTJNVASSA-N 1 1 484.645 3.884 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313902345 1071513585 /nfs/dbraw/zinc/51/35/85/1071513585.db2.gz GFKYCAJGGRWZSV-VQTJNVASSA-N 1 1 459.660 3.926 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313902670 1071514090 /nfs/dbraw/zinc/51/40/90/1071514090.db2.gz IEGPMZIGVQHTND-SUMDDJOVSA-N 1 1 466.399 3.898 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313904886 1071519984 /nfs/dbraw/zinc/51/99/84/1071519984.db2.gz VQBMNNZCDOAANH-HXUWFJFHSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904726 1071520046 /nfs/dbraw/zinc/52/00/46/1071520046.db2.gz LGTXXLQDSLVDHV-NHCUHLMSSA-N 1 1 457.598 3.815 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1C ZINC001313903514 1071515528 /nfs/dbraw/zinc/51/55/28/1071515528.db2.gz NAIKWOIDLKAMSH-FQEVSTJZSA-N 1 1 452.628 3.699 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCCCO)C1CC1 ZINC001313903366 1071516013 /nfs/dbraw/zinc/51/60/13/1071516013.db2.gz AXYSUBRKKABQGJ-SFHVURJKSA-N 1 1 465.440 3.651 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 ZINC001313904405 1071517222 /nfs/dbraw/zinc/51/72/22/1071517222.db2.gz HBGNMICGIRKHIZ-GOSISDBHSA-N 1 1 489.462 3.616 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313904446 1071518219 /nfs/dbraw/zinc/51/82/19/1071518219.db2.gz HVPGOWWAJXPJKZ-HXUWFJFHSA-N 1 1 486.686 3.755 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313904537 1071518287 /nfs/dbraw/zinc/51/82/87/1071518287.db2.gz QQNQBJPQBRZSRS-MSOLQXFVSA-N 1 1 484.542 3.553 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001315001116 1071523970 /nfs/dbraw/zinc/52/39/70/1071523970.db2.gz CNIWFACHLJIYAG-HSZRJFAPSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313906895 1071525980 /nfs/dbraw/zinc/52/59/80/1071525980.db2.gz SQAZGBYVXAGQFO-PMOQBDJRSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001313906446 1071524218 /nfs/dbraw/zinc/52/42/18/1071524218.db2.gz WGSZCRARZUMBFC-CMKODMSKSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001313906446 1071524223 /nfs/dbraw/zinc/52/42/23/1071524223.db2.gz WGSZCRARZUMBFC-CMKODMSKSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313905277 1071521442 /nfs/dbraw/zinc/52/14/42/1071521442.db2.gz OUBDDINZFNYANU-RBUKOAKNSA-N 1 1 495.466 3.542 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(C)on1 ZINC001313908789 1071530944 /nfs/dbraw/zinc/53/09/44/1071530944.db2.gz KHYCHPUWDQSPEH-JOCHJYFZSA-N 1 1 452.603 3.879 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313908203 1071529629 /nfs/dbraw/zinc/52/96/29/1071529629.db2.gz BHPCVOYWUFNPRQ-GOSISDBHSA-N 1 1 451.619 3.652 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313909628 1071532411 /nfs/dbraw/zinc/53/24/11/1071532411.db2.gz RTMGWJOYQQMWEJ-MRXNPFEDSA-N 1 1 478.979 3.966 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909355 1071532609 /nfs/dbraw/zinc/53/26/09/1071532609.db2.gz OLCSTLUVVXRKOO-DHIUTWEWSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910691 1071536544 /nfs/dbraw/zinc/53/65/44/1071536544.db2.gz FZCFSSHWCQXTOK-HZPDHXFCSA-N 1 1 452.397 3.648 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313910471 1071535809 /nfs/dbraw/zinc/53/58/09/1071535809.db2.gz KNMPASLPEILAKO-GOSISDBHSA-N 1 1 457.529 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313910472 1071536018 /nfs/dbraw/zinc/53/60/18/1071536018.db2.gz KNMPASLPEILAKO-SFHVURJKSA-N 1 1 457.529 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001313911207 1071537706 /nfs/dbraw/zinc/53/77/06/1071537706.db2.gz ACXQKGXXPAJRQQ-IBGZPJMESA-N 1 1 477.078 3.800 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313911108 1071536963 /nfs/dbraw/zinc/53/69/63/1071536963.db2.gz HNOVPCCEPMKGKB-YADHBBJMSA-N 1 1 470.637 3.623 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914370 1071546884 /nfs/dbraw/zinc/54/68/84/1071546884.db2.gz MSMUXGLMLNDWCQ-QFQXNSOFSA-N 1 1 477.694 3.977 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 ZINC001313914439 1071547570 /nfs/dbraw/zinc/54/75/70/1071547570.db2.gz NBQVWFVTJSBBOZ-QHCPKHFHSA-N 1 1 463.630 3.817 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313913369 1071542928 /nfs/dbraw/zinc/54/29/28/1071542928.db2.gz XUNAGAYIMACXLU-VQTJNVASSA-N 1 1 469.634 3.708 20 0 JHADMO CCN1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001313918161 1071555858 /nfs/dbraw/zinc/55/58/58/1071555858.db2.gz YRLHDETXLVLQKY-GGAORHGYSA-N 1 1 452.647 3.761 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919382 1071556825 /nfs/dbraw/zinc/55/68/25/1071556825.db2.gz AKFCNJMGTPOGQG-RTBURBONSA-N 1 1 492.510 3.699 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001313919815 1071558168 /nfs/dbraw/zinc/55/81/68/1071558168.db2.gz GLRSFSOYOHZERL-SFHVURJKSA-N 1 1 468.602 3.658 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921321 1071561183 /nfs/dbraw/zinc/56/11/83/1071561183.db2.gz PQKHNOHGFLDFJH-OAQYLSRUSA-N 1 1 492.716 3.947 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922578 1071565204 /nfs/dbraw/zinc/56/52/04/1071565204.db2.gz WZOXKWFHZYHITI-INIZCTEOSA-N 1 1 479.442 3.861 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3Cc3cscc3C)CC2)CC1 ZINC001313922381 1071564432 /nfs/dbraw/zinc/56/44/32/1071564432.db2.gz CUCFDALCATYSGU-UHFFFAOYSA-N 1 1 458.676 3.590 20 0 JHADMO CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001313922917 1071565653 /nfs/dbraw/zinc/56/56/53/1071565653.db2.gz YOAKYVJXOUOZIW-HNNXBMFYSA-N 1 1 469.859 3.843 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[C@H]3C)CC2)CC1 ZINC001313923818 1071568189 /nfs/dbraw/zinc/56/81/89/1071568189.db2.gz UQQWWJCTKJHEKN-IRLDBZIGSA-N 1 1 458.695 3.782 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923906 1071568787 /nfs/dbraw/zinc/56/87/87/1071568787.db2.gz APPACAGMXZUUBO-CEXWTWQISA-N 1 1 464.580 3.838 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001313926074 1071575493 /nfs/dbraw/zinc/57/54/93/1071575493.db2.gz BWKQDBVTQCBOMU-HXUWFJFHSA-N 1 1 460.642 3.547 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926112 1071575512 /nfs/dbraw/zinc/57/55/12/1071575512.db2.gz CIVNXMSALGKODA-LJQANCHMSA-N 1 1 461.054 3.740 20 0 JHADMO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001313924719 1071571534 /nfs/dbraw/zinc/57/15/34/1071571534.db2.gz OEDFWXHIHWTRRX-FQEVSTJZSA-N 1 1 489.064 3.690 20 0 JHADMO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925456 1071573985 /nfs/dbraw/zinc/57/39/85/1071573985.db2.gz QYVTYPRHSHQJND-SFHVURJKSA-N 1 1 459.589 3.554 20 0 JHADMO CNC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001315042046 1071574099 /nfs/dbraw/zinc/57/40/99/1071574099.db2.gz CWRCSOWIXQMUMX-QZTJIDSGSA-N 1 1 475.037 3.518 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001313925749 1071574641 /nfs/dbraw/zinc/57/46/41/1071574641.db2.gz AEMCHNANXFDXCJ-FQEVSTJZSA-N 1 1 472.678 3.546 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313925961 1071574738 /nfs/dbraw/zinc/57/47/38/1071574738.db2.gz VRTBLQVSFWVGQZ-SFHVURJKSA-N 1 1 479.044 3.626 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925826 1071574879 /nfs/dbraw/zinc/57/48/79/1071574879.db2.gz BBBKQQFSABBHFX-VWNXMTODSA-N 1 1 452.691 3.962 20 0 JHADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001315045813 1071577119 /nfs/dbraw/zinc/57/71/19/1071577119.db2.gz UTTFWVXPARMXIQ-FQEVSTJZSA-N 1 1 468.646 3.571 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926758 1071577646 /nfs/dbraw/zinc/57/76/46/1071577646.db2.gz XVIVUQLEUBRZPC-LJQANCHMSA-N 1 1 492.615 3.612 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313926821 1071578159 /nfs/dbraw/zinc/57/81/59/1071578159.db2.gz YOSIDNOVBFUKMF-INIZCTEOSA-N 1 1 476.000 3.696 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313927761 1071581157 /nfs/dbraw/zinc/58/11/57/1071581157.db2.gz LUKPAQQIJKYCKG-UKILVPOCSA-N 1 1 452.691 3.962 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@H]1C ZINC001313928295 1071583372 /nfs/dbraw/zinc/58/33/72/1071583372.db2.gz ACUYTIPKMSSCJH-MOPGFXCFSA-N 1 1 477.053 3.743 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313928480 1071583776 /nfs/dbraw/zinc/58/37/76/1071583776.db2.gz PIGKRSMLNBMHNV-TZIWHRDSSA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@@H]1C ZINC001313929788 1071587427 /nfs/dbraw/zinc/58/74/27/1071587427.db2.gz JNZVFVDLWMGEIO-FPOVZHCZSA-N 1 1 468.646 3.624 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)C[C@H]1C ZINC001313930274 1071588838 /nfs/dbraw/zinc/58/88/38/1071588838.db2.gz BABWSQYUOMWAGI-QGZVFWFLSA-N 1 1 479.467 3.926 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001313930170 1071588919 /nfs/dbraw/zinc/58/89/19/1071588919.db2.gz VJSGIAJDJFFFAT-GOSISDBHSA-N 1 1 491.453 3.523 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313931905 1071593976 /nfs/dbraw/zinc/59/39/76/1071593976.db2.gz SWFZXSOZXGLORX-MOPGFXCFSA-N 1 1 477.650 4.000 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594118 /nfs/dbraw/zinc/59/41/18/1071594118.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 1 1 478.483 3.687 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594123 /nfs/dbraw/zinc/59/41/23/1071594123.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 1 1 478.483 3.687 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC001313932280 1071594738 /nfs/dbraw/zinc/59/47/38/1071594738.db2.gz HUUIMPOSDRZXEH-VGOFRKELSA-N 1 1 481.483 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001313932651 1071595410 /nfs/dbraw/zinc/59/54/10/1071595410.db2.gz IOGLMEFRSWBYQS-WJONJSRFSA-N 1 1 480.426 3.928 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCS2)C[C@@H]1C ZINC001313933614 1071598396 /nfs/dbraw/zinc/59/83/96/1071598396.db2.gz LTCOVEDPAHSZIR-MGPUTAFESA-N 1 1 467.481 3.862 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2CCOC2)C[C@H]1C ZINC001313934908 1071603543 /nfs/dbraw/zinc/60/35/43/1071603543.db2.gz DCNSXEYYTHBFEZ-SJORKVTESA-N 1 1 478.435 3.673 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313933880 1071599855 /nfs/dbraw/zinc/59/98/55/1071599855.db2.gz OBQLTFMNJGDHJW-QGZVFWFLSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(F)(F)CC2)C[C@H]1C ZINC001313934768 1071603610 /nfs/dbraw/zinc/60/36/10/1071603610.db2.gz VOXRKMXFFKFPGF-QGZVFWFLSA-N 1 1 481.613 3.705 20 0 JHADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313933932 1071600386 /nfs/dbraw/zinc/60/03/86/1071600386.db2.gz PAGQKICCIBSDSR-MRJKTFCFSA-N 1 1 498.716 3.979 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(F)CCC2)C[C@@H]1C ZINC001313934312 1071601675 /nfs/dbraw/zinc/60/16/75/1071601675.db2.gz RGFJTKIVPGBKAB-HNNXBMFYSA-N 1 1 453.404 3.859 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC001313934506 1071603063 /nfs/dbraw/zinc/60/30/63/1071603063.db2.gz ASECRUFXBYQIQB-VWPQPMDRSA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313934951 1071604379 /nfs/dbraw/zinc/60/43/79/1071604379.db2.gz DUQCUXUAYPAKLI-HNNXBMFYSA-N 1 1 495.937 3.908 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313937230 1071610228 /nfs/dbraw/zinc/61/02/28/1071610228.db2.gz DJNIJQQIQQMFTJ-QGZVFWFLSA-N 1 1 456.566 3.966 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2ccccn2)C[C@@H]1C ZINC001313938254 1071611411 /nfs/dbraw/zinc/61/14/11/1071611411.db2.gz YFKBDBLYXHKCQM-KRWDZBQOSA-N 1 1 485.430 3.884 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313938684 1071612129 /nfs/dbraw/zinc/61/21/29/1071612129.db2.gz WHHAZLARMCEZEL-QFBILLFUSA-N 1 1 464.010 3.769 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCCOC)cc2)C[C@@H]1C ZINC001313938264 1071612193 /nfs/dbraw/zinc/61/21/93/1071612193.db2.gz YIYOCEJMSNOKAU-IBGZPJMESA-N 1 1 485.032 3.988 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C[C@H]1C ZINC001313938920 1071612610 /nfs/dbraw/zinc/61/26/10/1071612610.db2.gz YJQFCDIWGIMWQA-GOSISDBHSA-N 1 1 478.707 3.819 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2Br)C[C@@H]1C ZINC001313940834 1071615661 /nfs/dbraw/zinc/61/56/61/1071615661.db2.gz PHFOJMKARSTKBK-HNNXBMFYSA-N 1 1 475.460 3.975 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313940574 1071615671 /nfs/dbraw/zinc/61/56/71/1071615671.db2.gz OAQRBDSMGVXNIJ-FQEVSTJZSA-N 1 1 459.708 3.820 20 0 JHADMO CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)C[C@H]1C ZINC001313940329 1071614980 /nfs/dbraw/zinc/61/49/80/1071614980.db2.gz VWAPOYUKCMTORL-KNQAVFIVSA-N 1 1 455.676 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC001313941471 1071617394 /nfs/dbraw/zinc/61/73/94/1071617394.db2.gz UYECWKPWGUJSES-MRXNPFEDSA-N 1 1 451.541 3.677 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC001313941503 1071617661 /nfs/dbraw/zinc/61/76/61/1071617661.db2.gz VSMHOEHOBWFEJM-OAHLLOKOSA-N 1 1 461.035 3.875 20 0 JHADMO 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 1071618191 /nfs/dbraw/zinc/61/81/91/1071618191.db2.gz AMNQDNUPAHLNPB-AQNXPRMDSA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)C[C@@H]1C ZINC001313943108 1071621963 /nfs/dbraw/zinc/62/19/63/1071621963.db2.gz PSYXFWQIPHPHSS-FQEVSTJZSA-N 1 1 455.647 3.990 20 0 JHADMO 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 1071621973 /nfs/dbraw/zinc/62/19/73/1071621973.db2.gz QEELYUBOIAHMCI-AQNXPRMDSA-N 1 1 480.723 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)C[C@@H]1C ZINC001313943038 1071621326 /nfs/dbraw/zinc/62/13/26/1071621326.db2.gz OUEXXXLKLSJHSC-FQEVSTJZSA-N 1 1 451.619 3.669 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313943471 1071623121 /nfs/dbraw/zinc/62/31/21/1071623121.db2.gz STGSUYWAMVZXJF-HTAPYJJXSA-N 1 1 451.537 3.916 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313943625 1071623407 /nfs/dbraw/zinc/62/34/07/1071623407.db2.gz UJTZSUYNCROEDX-FPOVZHCZSA-N 1 1 461.701 3.853 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944256 1071624493 /nfs/dbraw/zinc/62/44/93/1071624493.db2.gz ZBJCAMXXXJHNCO-WIOPSUGQSA-N 1 1 484.689 3.793 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313944927 1071625518 /nfs/dbraw/zinc/62/55/18/1071625518.db2.gz JRCDWOLXQAZITF-CTNGQTDRSA-N 1 1 460.692 3.840 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)CC1 ZINC001313945473 1071626037 /nfs/dbraw/zinc/62/60/37/1071626037.db2.gz POBCCOKCOOENKS-SFHVURJKSA-N 1 1 479.442 3.719 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)COC)C2)CC1 ZINC001313945322 1071626191 /nfs/dbraw/zinc/62/61/91/1071626191.db2.gz MZNMTRXKARQDFP-QPPBQGQZSA-N 1 1 468.690 3.741 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946688 1071629054 /nfs/dbraw/zinc/62/90/54/1071629054.db2.gz TYKAAXFHKLEUKT-PMACEKPBSA-N 1 1 486.661 3.663 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@H]1C ZINC001313947508 1071632243 /nfs/dbraw/zinc/63/22/43/1071632243.db2.gz HVTFILUGUPQJNF-RBSFLKMASA-N 1 1 464.399 3.715 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001313947502 1071632337 /nfs/dbraw/zinc/63/23/37/1071632337.db2.gz HVMSQDXDZXONNM-HSALFYBXSA-N 1 1 459.660 3.925 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCSC)C2)CC1 ZINC001313947853 1071633045 /nfs/dbraw/zinc/63/30/45/1071633045.db2.gz CXZPKAIKWKSOOZ-YPAWHYETSA-N 1 1 478.751 3.556 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948488 1071634139 /nfs/dbraw/zinc/63/41/39/1071634139.db2.gz QVTICFGOPMLSEB-UPVQGACJSA-N 1 1 467.706 3.608 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313949103 1071635254 /nfs/dbraw/zinc/63/52/54/1071635254.db2.gz HQLGZCFDTFUJAJ-SLFFLAALSA-N 1 1 476.616 3.912 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001313949432 1071636473 /nfs/dbraw/zinc/63/64/73/1071636473.db2.gz ILURVCJPLDEUFJ-GOSISDBHSA-N 1 1 481.472 3.752 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313949672 1071637007 /nfs/dbraw/zinc/63/70/07/1071637007.db2.gz NRKCOVFGENWZNC-XZOQPEGZSA-N 1 1 489.108 3.800 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313950424 1071638241 /nfs/dbraw/zinc/63/82/41/1071638241.db2.gz PGWOFQXUAWMFNX-CBPXPLCBSA-N 1 1 472.653 3.923 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313951221 1071641235 /nfs/dbraw/zinc/64/12/35/1071641235.db2.gz RMRWJTSLOVLBOR-PCCBWWKXSA-N 1 1 490.693 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952190 1071645325 /nfs/dbraw/zinc/64/53/25/1071645325.db2.gz OPHXNNRUXKJVEI-RTWAWAEBSA-N 1 1 486.709 3.740 20 0 JHADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313951429 1071642246 /nfs/dbraw/zinc/64/22/46/1071642246.db2.gz UEFFYNVCVGYJAJ-GOSISDBHSA-N 1 1 493.494 3.836 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951662 1071643035 /nfs/dbraw/zinc/64/30/35/1071643035.db2.gz ATYMSHGLTRXPFH-FGZHOGPDSA-N 1 1 458.695 3.628 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313952775 1071646618 /nfs/dbraw/zinc/64/66/18/1071646618.db2.gz CFMGFLYJPKVWPK-IBGZPJMESA-N 1 1 493.121 3.967 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313953058 1071646993 /nfs/dbraw/zinc/64/69/93/1071646993.db2.gz AHFWTMMECJZVOP-UHFFFAOYSA-N 1 1 481.733 3.838 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313953503 1071647852 /nfs/dbraw/zinc/64/78/52/1071647852.db2.gz HLSLHGCKVHJKLL-VXKWHMMOSA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(COC)CC2)CC1 ZINC001313954024 1071650054 /nfs/dbraw/zinc/65/00/54/1071650054.db2.gz MWFWRAUWNDICDM-UHFFFAOYSA-N 1 1 475.081 3.879 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313953979 1071650097 /nfs/dbraw/zinc/65/00/97/1071650097.db2.gz LOUXWUXNIMXJMX-QHCPKHFHSA-N 1 1 454.663 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313954311 1071651279 /nfs/dbraw/zinc/65/12/79/1071651279.db2.gz NTXYUGFCYPPXCW-NRFANRHFSA-N 1 1 494.688 3.738 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313954119 1071650577 /nfs/dbraw/zinc/65/05/77/1071650577.db2.gz APPWQDLYRAEQAU-VXKWHMMOSA-N 1 1 479.648 3.874 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001313954129 1071650710 /nfs/dbraw/zinc/65/07/10/1071650710.db2.gz OBTQAUCXBWMOIU-PMACEKPBSA-N 1 1 476.616 3.675 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313954194 1071650718 /nfs/dbraw/zinc/65/07/18/1071650718.db2.gz AXDKMLRXQSXUHU-HXUWFJFHSA-N 1 1 474.694 3.613 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313954483 1071651801 /nfs/dbraw/zinc/65/18/01/1071651801.db2.gz OTJMMSMBVOCKMY-UHFFFAOYSA-N 1 1 462.042 3.722 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313954826 1071652990 /nfs/dbraw/zinc/65/29/90/1071652990.db2.gz QCULZOITKOAOTC-LVXARBLLSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313954894 1071653703 /nfs/dbraw/zinc/65/37/03/1071653703.db2.gz WPBQNKGKCRMQDO-HSZRJFAPSA-N 1 1 486.730 3.833 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313955098 1071654185 /nfs/dbraw/zinc/65/41/85/1071654185.db2.gz SLCVSYDEXNOFCF-UHFFFAOYSA-N 1 1 453.660 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(COC)CC2)CC1 ZINC001313955527 1071655386 /nfs/dbraw/zinc/65/53/86/1071655386.db2.gz SKFCVEWTRMHRAF-FQEVSTJZSA-N 1 1 475.081 3.735 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313956235 1071657268 /nfs/dbraw/zinc/65/72/68/1071657268.db2.gz XXWAMKUNPMBXIL-NZQKXSOJSA-N 1 1 475.081 3.733 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313956770 1071658151 /nfs/dbraw/zinc/65/81/51/1071658151.db2.gz KUMVMHCDUUCMNW-SFTDATJTSA-N 1 1 458.626 3.536 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313957842 1071661240 /nfs/dbraw/zinc/66/12/40/1071661240.db2.gz KRVJPPKRSOSMPK-UHFFFAOYSA-N 1 1 491.471 3.649 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313959796 1071667275 /nfs/dbraw/zinc/66/72/75/1071667275.db2.gz AJBLEIRIXIOHTK-JOCHJYFZSA-N 1 1 470.662 3.520 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313959856 1071668012 /nfs/dbraw/zinc/66/80/12/1071668012.db2.gz BQWBOVQYDKUXGK-MHZLTWQESA-N 1 1 486.680 3.677 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3sc4ccccc4c3Cl)nnc2N(C)CCOC)CC1 ZINC001313961617 1071673476 /nfs/dbraw/zinc/67/34/76/1071673476.db2.gz WHRIXYWVBXNTJI-UHFFFAOYSA-N 1 1 477.078 3.923 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313971997 1071697132 /nfs/dbraw/zinc/69/71/32/1071697132.db2.gz FDKXMBHMZSGXFP-INIZCTEOSA-N 1 1 497.471 3.857 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCC1 ZINC001313974806 1071703745 /nfs/dbraw/zinc/70/37/45/1071703745.db2.gz IARYDCIDXSLUOL-UHFFFAOYSA-N 1 1 482.673 3.817 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001314042351 1071848409 /nfs/dbraw/zinc/84/84/09/1071848409.db2.gz XWWIHYMZLOKJOE-HXUWFJFHSA-N 1 1 480.617 3.519 20 0 JHADMO CCOC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314052370 1071875330 /nfs/dbraw/zinc/87/53/30/1071875330.db2.gz OUGGSZWKTDBUPF-NRFANRHFSA-N 1 1 455.647 3.568 20 0 JHADMO CCOC(C)(C)Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001314056135 1071884082 /nfs/dbraw/zinc/88/40/82/1071884082.db2.gz WWXGBEIJYLMIHQ-DEOSSOPVSA-N 1 1 477.675 3.518 20 0 JHADMO 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 1071887392 /nfs/dbraw/zinc/88/73/92/1071887392.db2.gz TVPVIJCPEDPAMX-AWAHEQQVSA-N 1 1 476.710 3.622 20 0 JHADMO CCO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001314065760 1071912098 /nfs/dbraw/zinc/91/20/98/1071912098.db2.gz SBHXFIIJNZSUET-XMMPIXPASA-N 1 1 465.646 3.842 20 0 JHADMO CCO[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001314068488 1071917328 /nfs/dbraw/zinc/91/73/28/1071917328.db2.gz BSKAYKOHJDHQSF-QHCPKHFHSA-N 1 1 464.614 3.665 20 0 JHADMO CCO[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001314068488 1071917337 /nfs/dbraw/zinc/91/73/37/1071917337.db2.gz BSKAYKOHJDHQSF-QHCPKHFHSA-N 1 1 464.614 3.665 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC001314075323 1071931995 /nfs/dbraw/zinc/93/19/95/1071931995.db2.gz RAWNTQQPCDQLHJ-UVWWXKGLSA-N 1 1 489.636 3.624 20 0 JHADMO 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CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001306205070 1068594986 /nfs/dbraw/zinc/59/49/86/1068594986.db2.gz CKLFMYBYKWAYFW-UHFFFAOYSA-N 1 1 497.953 3.625 20 0 JHADMO CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001306205892 1068596539 /nfs/dbraw/zinc/59/65/39/1068596539.db2.gz ZAFZQNSJMHKGQV-QFIPXVFZSA-N 1 1 495.716 3.730 20 0 JHADMO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001306207574 1068599076 /nfs/dbraw/zinc/59/90/76/1068599076.db2.gz WGUVXUAQNBTKGI-NQIIRXRSSA-N 1 1 464.580 3.750 20 0 JHADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1c(C)sc(C)c1Br ZINC001306210031 1068600604 /nfs/dbraw/zinc/60/06/04/1068600604.db2.gz QOSPRTHBQXQDJE-INIZCTEOSA-N 1 1 470.481 3.877 20 0 JHADMO CCc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001306210165 1068601265 /nfs/dbraw/zinc/60/12/65/1068601265.db2.gz OXJSDZPVVICPHL-QFIPXVFZSA-N 1 1 486.661 3.591 20 0 JHADMO 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 1068615053 /nfs/dbraw/zinc/61/50/53/1068615053.db2.gz HNLXUTRJQUTMPA-FCEUIQTBSA-N 1 1 468.646 3.664 20 0 JHADMO CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306233698 1068625381 /nfs/dbraw/zinc/62/53/81/1068625381.db2.gz XEXCOUDTVBFLQP-HUUCEWRRSA-N 1 1 490.450 3.872 20 0 JHADMO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001306239250 1068634667 /nfs/dbraw/zinc/63/46/67/1068634667.db2.gz CZDNZZGCUUXMTB-UHFFFAOYSA-N 1 1 486.665 3.803 20 0 JHADMO CCc1nsc(N2CCCN(c3nnc(COc4ccc(C)cc4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001306240708 1068641275 /nfs/dbraw/zinc/64/12/75/1068641275.db2.gz IYBYRSQDIUDWPI-UHFFFAOYSA-N 1 1 498.701 3.636 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306257619 1068664654 /nfs/dbraw/zinc/66/46/54/1068664654.db2.gz ODHBEXLZCFQOHB-AOHZBQACSA-N 1 1 482.673 3.638 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@@H+](C)C(C)C ZINC001306265208 1068679431 /nfs/dbraw/zinc/67/94/31/1068679431.db2.gz UOBAHLRLVJGHPF-DENIHFKCSA-N 1 1 476.691 3.551 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc[nH+]c1C ZINC001306265582 1068680200 /nfs/dbraw/zinc/68/02/00/1068680200.db2.gz XNIQYQVUKHNYGL-QFBILLFUSA-N 1 1 454.575 3.801 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001306276158 1068689737 /nfs/dbraw/zinc/68/97/37/1068689737.db2.gz WPYJJSLSZYLMLJ-FUPPJEDESA-N 1 1 454.663 3.528 20 0 JHADMO CC[C@H]1C[C@@H](C)CN1c1nnc(CCc2ccc(OC)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306298415 1068714720 /nfs/dbraw/zinc/71/47/20/1068714720.db2.gz OXAIMMMWTGCCFE-IRLDBZIGSA-N 1 1 455.647 3.808 20 0 JHADMO CC[C@H]1C[C@@H](C)CN1c1nnc(CCc2ccc(OC)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306298415 1068714728 /nfs/dbraw/zinc/71/47/28/1068714728.db2.gz OXAIMMMWTGCCFE-IRLDBZIGSA-N 1 1 455.647 3.808 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001306299023 1068715635 /nfs/dbraw/zinc/71/56/35/1068715635.db2.gz HLUXYLPOCUJKGF-IFMALSPDSA-N 1 1 454.663 3.528 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001306299023 1068715650 /nfs/dbraw/zinc/71/56/50/1068715650.db2.gz HLUXYLPOCUJKGF-IFMALSPDSA-N 1 1 454.663 3.528 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001306299023 1068715655 /nfs/dbraw/zinc/71/56/55/1068715655.db2.gz HLUXYLPOCUJKGF-IFMALSPDSA-N 1 1 454.663 3.528 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001306309055 1068727587 /nfs/dbraw/zinc/72/75/87/1068727587.db2.gz AQWLPFCQQDHXLM-ROUUACIJSA-N 1 1 456.557 3.557 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306315906 1068734794 /nfs/dbraw/zinc/73/47/94/1068734794.db2.gz BJHAAIPAUHXRCN-HXUWFJFHSA-N 1 1 458.676 3.998 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306316270 1068735651 /nfs/dbraw/zinc/73/56/51/1068735651.db2.gz DHQAZPLMABBUOE-QUCCMNQESA-N 1 1 490.446 3.971 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001306317261 1068737330 /nfs/dbraw/zinc/73/73/30/1068737330.db2.gz IPTIRLKGXWMNPV-NRFANRHFSA-N 1 1 498.672 3.737 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306317298 1068737745 /nfs/dbraw/zinc/73/77/45/1068737745.db2.gz JJZHLENDWQTSEZ-HXUWFJFHSA-N 1 1 490.599 3.903 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306318807 1068742606 /nfs/dbraw/zinc/74/26/06/1068742606.db2.gz IENNHEASFYLUEH-QFIPXVFZSA-N 1 1 482.673 3.913 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1 ZINC001306319238 1068744048 /nfs/dbraw/zinc/74/40/48/1068744048.db2.gz ROZMZAXMXWAMTC-SFHVURJKSA-N 1 1 453.616 3.888 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001306320227 1068748178 /nfs/dbraw/zinc/74/81/78/1068748178.db2.gz RSFAOAFELDTVGD-IRFCIJBXSA-N 1 1 491.727 3.943 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306321187 1068751034 /nfs/dbraw/zinc/75/10/34/1068751034.db2.gz BMOBFCVRTUNCCS-YYTDSSBASA-N 1 1 474.694 3.553 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306322072 1068753096 /nfs/dbraw/zinc/75/30/96/1068753096.db2.gz JCQLGYOKKXHTLI-QHCPKHFHSA-N 1 1 481.689 3.996 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](SC)C1 ZINC001306322487 1068753742 /nfs/dbraw/zinc/75/37/42/1068753742.db2.gz HKRLUCXNWOBDJK-CMOCDZPBSA-N 1 1 465.708 3.989 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306322719 1068754492 /nfs/dbraw/zinc/75/44/92/1068754492.db2.gz JEPCCPKWXJEJOU-RXVVDRJESA-N 1 1 497.562 3.898 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001306323944 1068757174 /nfs/dbraw/zinc/75/71/74/1068757174.db2.gz NGHKIEBVZRJUGH-OAQYLSRUSA-N 1 1 476.616 3.817 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306324080 1068759105 /nfs/dbraw/zinc/75/91/05/1068759105.db2.gz NDESSHUAELPOEH-SFTDATJTSA-N 1 1 488.627 3.764 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001306324465 1068759202 /nfs/dbraw/zinc/75/92/02/1068759202.db2.gz OTUUMDAFOMUBDI-OFVILXPXSA-N 1 1 457.667 3.617 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306324687 1068759745 /nfs/dbraw/zinc/75/97/45/1068759745.db2.gz UTFFBOBRFUYYKM-NRFANRHFSA-N 1 1 482.677 3.543 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001306325249 1068761696 /nfs/dbraw/zinc/76/16/96/1068761696.db2.gz UFGGLTXPLVORMJ-QHCPKHFHSA-N 1 1 484.737 3.804 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001306325967 1068763212 /nfs/dbraw/zinc/76/32/12/1068763212.db2.gz XAYUYHZOKWIVPJ-ILBGXUMGSA-N 1 1 466.674 3.794 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CC)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001306326416 1068764470 /nfs/dbraw/zinc/76/44/70/1068764470.db2.gz URMONQGDGQPUJY-OAQYLSRUSA-N 1 1 474.694 3.858 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001306337542 1068774187 /nfs/dbraw/zinc/77/41/87/1068774187.db2.gz QQPOLQFIBIILNS-QZNHQXDQSA-N 1 1 473.687 3.717 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306340916 1068777479 /nfs/dbraw/zinc/77/74/79/1068777479.db2.gz CRJJIGJDTVEMBJ-WBADGQHESA-N 1 1 460.711 3.849 20 0 JHADMO CC[C@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC[NH+]1CCN(CC)CC1 ZINC001306343538 1068780173 /nfs/dbraw/zinc/78/01/73/1068780173.db2.gz VIUFDARKMRKXRS-SFTDATJTSA-N 1 1 458.626 3.964 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306347598 1068784671 /nfs/dbraw/zinc/78/46/71/1068784671.db2.gz QOFZYJAFLKDIPV-IEBWSBKVSA-N 1 1 479.467 3.926 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001306354883 1068789358 /nfs/dbraw/zinc/78/93/58/1068789358.db2.gz AXOPFGBHWIBTIR-WOJBJXKFSA-N 1 1 492.462 3.845 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001306357302 1068791622 /nfs/dbraw/zinc/79/16/22/1068791622.db2.gz BLMALFILAQVSOS-UHFFFAOYSA-N 1 1 464.618 3.760 20 0 JHADMO CC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306361491 1068796532 /nfs/dbraw/zinc/79/65/32/1068796532.db2.gz DNRAIXJWIUOIJT-MZKRTTBSSA-N 1 1 486.636 3.736 20 0 JHADMO CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001306382613 1068814292 /nfs/dbraw/zinc/81/42/92/1068814292.db2.gz BYHIHLPVZXNWLE-XPWALMASSA-N 1 1 488.721 3.766 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)CC[N@H+]1CCOC ZINC001306388424 1068823392 /nfs/dbraw/zinc/82/33/92/1068823392.db2.gz WGOSBDKJPLFQHT-DENIHFKCSA-N 1 1 463.070 3.905 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CC)CC2)CC[N@H+]1CCOC ZINC001306388719 1068825129 /nfs/dbraw/zinc/82/51/29/1068825129.db2.gz CGYYCNOGERBZKY-QFIPXVFZSA-N 1 1 468.646 3.884 20 0 JHADMO CC[C@@H](Cn1c(N2CCN(CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390416 1068828957 /nfs/dbraw/zinc/82/89/57/1068828957.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@@H](Cn1c(N2CCN(CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390416 1068828967 /nfs/dbraw/zinc/82/89/67/1068828967.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306395186 1068839091 /nfs/dbraw/zinc/83/90/91/1068839091.db2.gz PNMOLGFKBXHDFU-QKNQBKEWSA-N 1 1 478.037 3.655 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)SC)CC[N@H+]1CCOC ZINC001306397138 1068846888 /nfs/dbraw/zinc/84/68/88/1068846888.db2.gz LTNQQFXONXMWNQ-AZUAARDMSA-N 1 1 469.659 3.634 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001306397832 1068849090 /nfs/dbraw/zinc/84/90/90/1068849090.db2.gz NXEPUYMRORMRJQ-FFHOAYQKSA-N 1 1 463.667 3.587 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[C@@H](O)C2)CC[N@H+]1CCOC ZINC001306401537 1068862258 /nfs/dbraw/zinc/86/22/58/1068862258.db2.gz IZHAZEXYMFNLCF-VLCRHTCISA-N 1 1 462.038 3.697 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CC2)CC[N@H+]1CCOC ZINC001306402898 1068865155 /nfs/dbraw/zinc/86/51/55/1068865155.db2.gz COKHHNIHDHOSKR-IBGZPJMESA-N 1 1 462.436 3.973 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001306403387 1068867377 /nfs/dbraw/zinc/86/73/77/1068867377.db2.gz QVCCEUMFTJHWGS-XYJFISCASA-N 1 1 496.425 3.571 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001306403387 1068867385 /nfs/dbraw/zinc/86/73/85/1068867385.db2.gz QVCCEUMFTJHWGS-XYJFISCASA-N 1 1 496.425 3.571 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCO2)CC[N@H+]1CCOC ZINC001306403747 1068867852 /nfs/dbraw/zinc/86/78/52/1068867852.db2.gz HHLWLFUDURMORB-UXHICEINSA-N 1 1 492.462 3.742 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)COC)CC[N@H+]1CCOC ZINC001306403945 1068868305 /nfs/dbraw/zinc/86/83/05/1068868305.db2.gz HJVISAJCTGFYRF-YLJYHZDGSA-N 1 1 494.478 3.846 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2cc(F)cc(F)c2)CC[N@H+]1CCOC ZINC001306404391 1068869563 /nfs/dbraw/zinc/86/95/63/1068869563.db2.gz JSQCAARCWXHZNC-OAQYLSRUSA-N 1 1 459.541 3.914 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001306405356 1068873210 /nfs/dbraw/zinc/87/32/10/1068873210.db2.gz DBBWRFDNKRPVNU-QUCCMNQESA-N 1 1 475.703 3.839 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H](C)O1 ZINC001306407150 1068880153 /nfs/dbraw/zinc/88/01/53/1068880153.db2.gz WDGPWYLAYNWYOF-FXAWDEMLSA-N 1 1 460.420 3.973 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001306407872 1068883906 /nfs/dbraw/zinc/88/39/06/1068883906.db2.gz FQONTISDZMKTIS-GHTZIAJQSA-N 1 1 478.037 3.581 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001306409977 1068889397 /nfs/dbraw/zinc/88/93/97/1068889397.db2.gz CJHLMVFJEZXJAJ-HXUWFJFHSA-N 1 1 469.659 3.593 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001306410177 1068890310 /nfs/dbraw/zinc/89/03/10/1068890310.db2.gz RDOUYFYBKYCUDX-AZUAARDMSA-N 1 1 478.037 3.723 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(F)(F)F)CC[N@H+]1CCOC ZINC001306411320 1068893950 /nfs/dbraw/zinc/89/39/50/1068893950.db2.gz UBWDXCNBJDHGIL-INIZCTEOSA-N 1 1 460.932 3.883 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)CC[N@H+]1CCOC ZINC001306412161 1068896416 /nfs/dbraw/zinc/89/64/16/1068896416.db2.gz VQPJRJMWXMTCAT-NRFANRHFSA-N 1 1 484.048 3.655 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC(CC)(CC)SC)C[C@@H]1[NH+]1CCOCC1 ZINC001306412526 1068897701 /nfs/dbraw/zinc/89/77/01/1068897701.db2.gz FLSYVXQRQFUGOI-CTNGQTDRSA-N 1 1 460.692 3.752 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC001306413462 1068900964 /nfs/dbraw/zinc/90/09/64/1068900964.db2.gz YTQIAMHUQJUHKL-RBZQAINGSA-N 1 1 455.647 3.943 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC001306413466 1068901176 /nfs/dbraw/zinc/90/11/76/1068901176.db2.gz YTQIAMHUQJUHKL-WXFUMESZSA-N 1 1 455.647 3.943 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001306413953 1068901622 /nfs/dbraw/zinc/90/16/22/1068901622.db2.gz NKALFMJUHUNKJW-SFHVURJKSA-N 1 1 493.052 3.670 20 0 JHADMO 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CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2ccc(F)cc2Cl)CC[N@H+]1CCOC ZINC001306444309 1068955773 /nfs/dbraw/zinc/95/57/73/1068955773.db2.gz MJCBESSOQRHJQS-QFIPXVFZSA-N 1 1 487.023 3.846 20 0 JHADMO CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306450384 1068968731 /nfs/dbraw/zinc/96/87/31/1068968731.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 1 1 482.717 3.731 20 0 JHADMO CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306450384 1068968741 /nfs/dbraw/zinc/96/87/41/1068968741.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 1 1 482.717 3.731 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001306453674 1068974015 /nfs/dbraw/zinc/97/40/15/1068974015.db2.gz XQTIWWSRIBRWDO-PXDATVDWSA-N 1 1 479.673 3.799 20 0 JHADMO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306455973 1068979844 /nfs/dbraw/zinc/97/98/44/1068979844.db2.gz WBKWUXZBENUYKV-PKTZIBPZSA-N 1 1 471.646 3.590 20 0 JHADMO 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COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164713414 720156605 /nfs/dbraw/zinc/15/66/05/720156605.db2.gz JYIXNCNACQFVDK-KRWDZBQOSA-N 1 1 467.948 3.586 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164714070 720158094 /nfs/dbraw/zinc/15/80/94/720158094.db2.gz OCGBUHPFPNDDAE-GOSISDBHSA-N 1 1 467.664 3.833 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CCC2 ZINC001164812027 720240459 /nfs/dbraw/zinc/24/04/59/720240459.db2.gz ARKDVYZQIALBRB-XMMPIXPASA-N 1 1 486.979 3.732 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CCC2 ZINC001164813464 720240749 /nfs/dbraw/zinc/24/07/49/720240749.db2.gz OMBJJOHPULXCER-UHFFFAOYSA-N 1 1 489.958 3.544 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1 ZINC001164816113 720246364 /nfs/dbraw/zinc/24/63/64/720246364.db2.gz GVTWWSJISIUURM-UHFFFAOYSA-N 1 1 484.988 3.738 20 0 JHADMO 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3.641 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835395 720537699 /nfs/dbraw/zinc/53/76/99/720537699.db2.gz HCHVPMAULJUEAB-JFIYKMOQSA-N 1 1 467.948 3.641 20 0 JHADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164833993 720547234 /nfs/dbraw/zinc/54/72/34/720547234.db2.gz CEMLXMSCCGSWBB-CNNODRBYSA-N 1 1 450.587 3.530 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)CC[C@@H]21 ZINC001164833725 720564429 /nfs/dbraw/zinc/56/44/29/720564429.db2.gz BILSZCHWLQFOKC-FUDKSRODSA-N 1 1 474.588 3.588 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)CC[C@@H]21 ZINC001164836195 720601090 /nfs/dbraw/zinc/60/10/90/720601090.db2.gz FGDWCTFJVSGMAH-FXSPECFOSA-N 1 1 470.621 3.859 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCC(C)CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838782 720601860 /nfs/dbraw/zinc/60/18/60/720601860.db2.gz LURGFFRNPHOCQF-WPFOTENUSA-N 1 1 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20 0 JHADMO COC(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750737 720869705 /nfs/dbraw/zinc/86/97/05/720869705.db2.gz JPWATDSKQRPERQ-NLFFAJNJSA-N 1 1 471.001 3.672 20 0 JHADMO COC(=O)c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747973 720873213 /nfs/dbraw/zinc/87/32/13/720873213.db2.gz DADZZEFSMCDXMO-CPJSRVTESA-N 1 1 471.001 3.672 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164862169 720875802 /nfs/dbraw/zinc/87/58/02/720875802.db2.gz RATHQOHYXSLMAW-IFMALSPDSA-N 1 1 499.725 3.730 20 0 JHADMO COC(=O)c1ccc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164753388 720876610 /nfs/dbraw/zinc/87/66/10/720876610.db2.gz PFDRLMYWGABEKJ-YWEHKCAJSA-N 1 1 487.604 3.567 20 0 JHADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2cnccc12 ZINC001164747115 720876723 /nfs/dbraw/zinc/87/67/23/720876723.db2.gz AAILPDNECCDUTE-CPJSRVTESA-N 1 1 465.001 3.828 20 0 JHADMO Clc1nc2cccnc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748531 720879060 /nfs/dbraw/zinc/87/90/60/720879060.db2.gz FSHKZDXFUSTMBY-CPJSRVTESA-N 1 1 465.001 3.828 20 0 JHADMO COc1nc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755231 720879942 /nfs/dbraw/zinc/87/99/42/720879942.db2.gz VEVZXFFAFRFLEB-CUNXSJBXSA-N 1 1 459.594 3.789 20 0 JHADMO COc1ccc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164753915 720883013 /nfs/dbraw/zinc/88/30/13/720883013.db2.gz HVKUVYPSBCSHQW-KCWPFWIISA-N 1 1 459.594 3.789 20 0 JHADMO Clc1nc2cnccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756224 720883031 /nfs/dbraw/zinc/88/30/31/720883031.db2.gz OLZNCRQNICZLNH-CPJSRVTESA-N 1 1 465.001 3.828 20 0 JHADMO Clc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ncccc12 ZINC001164757181 720890598 /nfs/dbraw/zinc/89/05/98/720890598.db2.gz UDDRKIHUSFIECC-NBGIEHNGSA-N 1 1 465.001 3.828 20 0 JHADMO COc1cccc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164756867 720892734 /nfs/dbraw/zinc/89/27/34/720892734.db2.gz RSNYGMHKGVHKJH-KCWPFWIISA-N 1 1 459.594 3.789 20 0 JHADMO COC(=O)c1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757779 720892977 /nfs/dbraw/zinc/89/29/77/720892977.db2.gz VPIBXLNWQSRHLU-NBGIEHNGSA-N 1 1 471.001 3.672 20 0 JHADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C ZINC001164753846 720893303 /nfs/dbraw/zinc/89/33/03/720893303.db2.gz HIVJLVLFQANEEV-KCWPFWIISA-N 1 1 464.610 3.717 20 0 JHADMO Clc1cc2[nH]cnc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755915 720895854 /nfs/dbraw/zinc/89/58/54/720895854.db2.gz NFSAPCFXXXQLRK-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc2nc[nH]c2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755915 720895856 /nfs/dbraw/zinc/89/58/56/720895856.db2.gz NFSAPCFXXXQLRK-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc2nc[nH]c2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755915 720895858 /nfs/dbraw/zinc/89/58/58/720895858.db2.gz NFSAPCFXXXQLRK-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO CSc1nc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755344 720898766 /nfs/dbraw/zinc/89/87/66/720898766.db2.gz LDASVZIBLCPGQO-DVECYGJZSA-N 1 1 482.679 3.958 20 0 JHADMO FC(F)(c1cncc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758861 720899781 /nfs/dbraw/zinc/89/97/81/720899781.db2.gz ZXNOCNUBIUBNOD-SIKLNZKXSA-N 1 1 463.960 3.825 20 0 JHADMO Cc1noc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)n1 ZINC001164752745 720913667 /nfs/dbraw/zinc/91/36/67/720913667.db2.gz OQZAGLQRQITOLG-BVAGGSTKSA-N 1 1 460.582 3.590 20 0 JHADMO c1nc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1-c1ccccc1 ZINC001164751549 720928012 /nfs/dbraw/zinc/92/80/12/720928012.db2.gz MSCHBYHYPJFOFK-FUFSCUOVSA-N 1 1 495.631 3.966 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)[C@@H]2C ZINC001164862609 720936629 /nfs/dbraw/zinc/93/66/29/720936629.db2.gz WRHAQOLJOIZZFX-OAHLLOKOSA-N 1 1 453.969 3.893 20 0 JHADMO CCOC(Cc1c(Cl)ncnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C)OCC ZINC001164857926 720962034 /nfs/dbraw/zinc/96/20/34/720962034.db2.gz IGLQNAFZKUFQDH-MRXNPFEDSA-N 1 1 451.015 3.690 20 0 JHADMO CC(C)CN1[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758933 720972544 /nfs/dbraw/zinc/97/25/44/720972544.db2.gz XFEPVWTULGRBOE-PKTZIBPZSA-N 1 1 484.666 3.753 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164858157 721003109 /nfs/dbraw/zinc/00/31/09/721003109.db2.gz IKYYJGMNBKEANI-SFHVURJKSA-N 1 1 495.697 3.630 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)n1 ZINC001164763491 721008865 /nfs/dbraw/zinc/00/88/65/721008865.db2.gz XLZXRZJXBCNBQR-HBMCJLEFSA-N 1 1 467.639 3.965 20 0 JHADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863485 721032324 /nfs/dbraw/zinc/03/23/24/721032324.db2.gz UAJKDEPLOZODDJ-UHFFFAOYSA-N 1 1 464.307 3.986 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765176 721120128 /nfs/dbraw/zinc/12/01/28/721120128.db2.gz JCGMWBNOHSOCSP-ZEQRLZLVSA-N 1 1 451.578 3.897 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872246 721144622 /nfs/dbraw/zinc/14/46/22/721144622.db2.gz HDNXAGHHCIAKCN-FGZHOGPDSA-N 1 1 478.666 3.779 20 0 JHADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164878931 721146893 /nfs/dbraw/zinc/14/68/93/721146893.db2.gz QVRFMEUPUUDBHH-PKTZIBPZSA-N 1 1 463.969 3.862 20 0 JHADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880961 721184304 /nfs/dbraw/zinc/18/43/04/721184304.db2.gz YIJIKGZJBWPSEV-ROUUACIJSA-N 1 1 455.921 3.936 20 0 JHADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869745 721184770 /nfs/dbraw/zinc/18/47/70/721184770.db2.gz ANEYLNZEXZUQRD-UYAOXDASSA-N 1 1 455.921 3.936 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767716 721201989 /nfs/dbraw/zinc/20/19/89/721201989.db2.gz KLAOHWGGUXNRLB-NHCUHLMSSA-N 1 1 491.709 3.858 20 0 JHADMO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164871660 721223978 /nfs/dbraw/zinc/22/39/78/721223978.db2.gz KGEDXZGBKXUWSF-NRFANRHFSA-N 1 1 486.060 3.817 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccn5)c(-c5ccccn5)nc4Cl)C[C@@H]3C2)cn1 ZINC001164767260 721243646 /nfs/dbraw/zinc/24/36/46/721243646.db2.gz WNFRBIIABSVRFX-UXHICEINSA-N 1 1 487.011 3.946 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)n1 ZINC001164762931 721256578 /nfs/dbraw/zinc/25/65/78/721256578.db2.gz LSGOLVBOBGOERU-NRSPTQNISA-N 1 1 497.665 3.758 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4cc(OCc5ccccc5)ccc4n3)CC2)C1 ZINC001164872109 721277240 /nfs/dbraw/zinc/27/72/40/721277240.db2.gz AGFHNWIIHZMOMM-UHFFFAOYSA-N 1 1 488.632 3.821 20 0 JHADMO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164882929 721344370 /nfs/dbraw/zinc/34/43/70/721344370.db2.gz IYAWZHMGJMPGML-KDYSTLNUSA-N 1 1 495.693 3.678 20 0 JHADMO COC(=O)c1ccc2c(ccnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777328 721346823 /nfs/dbraw/zinc/34/68/23/721346823.db2.gz GJAABYRFPNLSNI-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164882522 721348700 /nfs/dbraw/zinc/34/87/00/721348700.db2.gz FSQVXIVGDUHODL-XNMGPUDCSA-N 1 1 468.601 3.617 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164778813 721349600 /nfs/dbraw/zinc/34/96/00/721349600.db2.gz OTZYPNUAOORQNK-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164778813 721349604 /nfs/dbraw/zinc/34/96/04/721349604.db2.gz OTZYPNUAOORQNK-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164776775 721352668 /nfs/dbraw/zinc/35/26/68/721352668.db2.gz CSWIUFYIMLPZID-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164776775 721352672 /nfs/dbraw/zinc/35/26/72/721352672.db2.gz CSWIUFYIMLPZID-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C2)C1 ZINC001164777811 721354125 /nfs/dbraw/zinc/35/41/25/721354125.db2.gz IEGVALBLQUZIJC-RUZDIDTESA-N 1 1 490.048 3.987 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C2)C1 ZINC001164777811 721354133 /nfs/dbraw/zinc/35/41/33/721354133.db2.gz IEGVALBLQUZIJC-RUZDIDTESA-N 1 1 490.048 3.987 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164780016 721354621 /nfs/dbraw/zinc/35/46/21/721354621.db2.gz YHQXBRZRCLPCDS-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164780016 721354628 /nfs/dbraw/zinc/35/46/28/721354628.db2.gz YHQXBRZRCLPCDS-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO COc1cccc(-c2ccnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)c1 ZINC001164782281 721359468 /nfs/dbraw/zinc/35/94/68/721359468.db2.gz MEUFGQDOHJJICS-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1cccc(-c2ccnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)c1 ZINC001164782281 721359470 /nfs/dbraw/zinc/35/94/70/721359470.db2.gz MEUFGQDOHJJICS-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164884647 721361902 /nfs/dbraw/zinc/36/19/02/721361902.db2.gz VZPDNYGWSMZGLX-DEOSSOPVSA-N 1 1 475.641 3.892 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc4[nH]ccc43)C2)C1 ZINC001164781635 721363172 /nfs/dbraw/zinc/36/31/72/721363172.db2.gz KFUSVZCHBNHFJW-RUZDIDTESA-N 1 1 452.603 3.979 20 0 JHADMO COC(=O)c1cc2ccccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784174 721367242 /nfs/dbraw/zinc/36/72/42/721367242.db2.gz QNXHODLBUGMQIE-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO COC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c2ccccc2c1OC ZINC001164787095 721371269 /nfs/dbraw/zinc/37/12/69/721371269.db2.gz YZIJLYGNPWUPRL-HHHXNRCGSA-N 1 1 494.592 3.754 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164781306 721374409 /nfs/dbraw/zinc/37/44/09/721374409.db2.gz IYALSDJGAZMIIN-DEOSSOPVSA-N 1 1 468.989 3.916 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164781306 721374413 /nfs/dbraw/zinc/37/44/13/721374413.db2.gz IYALSDJGAZMIIN-DEOSSOPVSA-N 1 1 468.989 3.916 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(CCCCN4S(C)(=O)=O)C3)c2c1C ZINC001164892933 721376502 /nfs/dbraw/zinc/37/65/02/721376502.db2.gz UUDMVRUZVKRAFQ-QHCPKHFHSA-N 1 1 477.700 3.688 20 0 JHADMO COc1cc(C)c2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779869 721376723 /nfs/dbraw/zinc/37/67/23/721376723.db2.gz CULLMGRVOQVZHF-VWLOTQADSA-N 1 1 451.571 3.671 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164780336 721381898 /nfs/dbraw/zinc/38/18/98/721381898.db2.gz GATFLEAJBLVMBQ-WSKLTFMVSA-N 1 1 463.626 3.827 20 0 JHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164783388 721398332 /nfs/dbraw/zinc/39/83/32/721398332.db2.gz HUXQLANPRZYOAQ-OALUTQOASA-N 1 1 453.999 3.690 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5nc(Cl)cnc5cc4Cl)C3)O2)CC1 ZINC001164885092 721405183 /nfs/dbraw/zinc/40/51/83/721405183.db2.gz FMAIUIQIEYIQJC-AOMKIAJQSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888965 721409048 /nfs/dbraw/zinc/40/90/48/721409048.db2.gz PVWNNQGOTKCIGR-ZHRRBRCNSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883514 721411057 /nfs/dbraw/zinc/41/10/57/721411057.db2.gz AKOLSJORQHFIMO-ZHRRBRCNSA-N 1 1 450.414 3.702 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(Cl)c2c1 ZINC001164890288 721438967 /nfs/dbraw/zinc/43/89/67/721438967.db2.gz DDLVNWOORLDCSK-FDDCHVKYSA-N 1 1 496.002 3.602 20 0 JHADMO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2cc(OC4CC[NH+](C)CC4)ccn2)CCO3)cs1 ZINC001164782349 721445424 /nfs/dbraw/zinc/44/54/24/721445424.db2.gz JASZCEPCNXOJRL-CJFMBICVSA-N 1 1 472.655 3.912 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)ccc(F)c45)C3)O2)CC1 ZINC001164884881 721451796 /nfs/dbraw/zinc/45/17/96/721451796.db2.gz BQVMZUJRACZBHE-HJPURHCSSA-N 1 1 450.961 3.932 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885559 721453611 /nfs/dbraw/zinc/45/36/11/721453611.db2.gz FOEJZIVMXTZQOR-VGOFRKELSA-N 1 1 454.993 3.534 20 0 JHADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887898 721454152 /nfs/dbraw/zinc/45/41/52/721454152.db2.gz KWINDWHNSVGYSE-MHECFPHRSA-N 1 1 462.997 3.801 20 0 JHADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164884279 721458459 /nfs/dbraw/zinc/45/84/59/721458459.db2.gz AKSGAWXEQMHTON-ACRUOGEOSA-N 1 1 495.693 3.818 20 0 JHADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164884280 721458522 /nfs/dbraw/zinc/45/85/22/721458522.db2.gz AKSGAWXEQMHTON-HBMCJLEFSA-N 1 1 495.693 3.818 20 0 JHADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164884281 721458693 /nfs/dbraw/zinc/45/86/93/721458693.db2.gz AKSGAWXEQMHTON-HKBOAZHASA-N 1 1 495.693 3.818 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH]c(Cl)cc3nc(C(=O)OC)cc1-3)CC2 ZINC001164790066 721463660 /nfs/dbraw/zinc/46/36/60/721463660.db2.gz ZKQBBEGYLFMDDW-SFHVURJKSA-N 1 1 491.032 3.737 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164786588 721463997 /nfs/dbraw/zinc/46/39/97/721463997.db2.gz OPXOEPVSZLIQRM-INIZCTEOSA-N 1 1 477.021 3.698 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164790102 721466826 /nfs/dbraw/zinc/46/68/26/721466826.db2.gz QXDAMGIDTDADFK-IBGZPJMESA-N 1 1 456.656 3.914 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164791212 721470330 /nfs/dbraw/zinc/47/03/30/721470330.db2.gz VGLRJQZERINQTM-NRFANRHFSA-N 1 1 467.610 3.755 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164791228 721471258 /nfs/dbraw/zinc/47/12/58/721471258.db2.gz VMFQGZBZHMJEDD-HSZRJFAPSA-N 1 1 458.647 3.780 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164892551 721471392 /nfs/dbraw/zinc/47/13/92/721471392.db2.gz GJLIZIGLSHIDNH-JOCHJYFZSA-N 1 1 490.608 3.509 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164787159 721474510 /nfs/dbraw/zinc/47/45/10/721474510.db2.gz CVCYRGIKPBGAMH-OAQYLSRUSA-N 1 1 454.615 3.681 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)c2c1C ZINC001164789062 721482007 /nfs/dbraw/zinc/48/20/07/721482007.db2.gz AQQVJEFFAIKDSB-ACRUOGEOSA-N 1 1 499.681 3.689 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)n1 ZINC001164793669 721482289 /nfs/dbraw/zinc/48/22/89/721482289.db2.gz XMOCDQVYSDENNT-ZCNNSNEGSA-N 1 1 487.670 3.545 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3nccn3C[C@H](Cn3cccn3)C2)n1 ZINC001164896848 721487180 /nfs/dbraw/zinc/48/71/80/721487180.db2.gz QVSDBTWDTDSRJC-IBGZPJMESA-N 1 1 464.643 3.880 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)c2c1C ZINC001164898343 721490271 /nfs/dbraw/zinc/49/02/71/721490271.db2.gz GZLLTYKGJDOWDA-IBGZPJMESA-N 1 1 483.682 3.948 20 0 JHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)n1 ZINC001164901174 721494562 /nfs/dbraw/zinc/49/45/62/721494562.db2.gz TTXPJRGARBXKPO-VAMGGRTRSA-N 1 1 485.061 3.553 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898825 721495400 /nfs/dbraw/zinc/49/54/00/721495400.db2.gz IIKVKILHDNDDFH-MYDTUXCISA-N 1 1 478.670 3.851 20 0 JHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CC2 ZINC001164795043 721498738 /nfs/dbraw/zinc/49/87/38/721498738.db2.gz BMRJKPFMDYZRGX-UHFFFAOYSA-N 1 1 493.633 3.948 20 0 JHADMO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164899180 721500656 /nfs/dbraw/zinc/50/06/56/721500656.db2.gz WWUFVHGOTGPKBK-VWLOTQADSA-N 1 1 462.638 3.788 20 0 JHADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1C ZINC001164896257 721509504 /nfs/dbraw/zinc/50/95/04/721509504.db2.gz ABIJWUDBHNDNHU-FUHWJXTLSA-N 1 1 456.543 3.657 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164899732 721518567 /nfs/dbraw/zinc/51/85/67/721518567.db2.gz LYTWYZPWFVVGNU-SJLPKXTDSA-N 1 1 467.923 3.756 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@H+]3C2)c1 ZINC001164897610 721522912 /nfs/dbraw/zinc/52/29/12/721522912.db2.gz GACGCYBFUYACJT-YPMHNXCESA-N 1 1 469.735 3.861 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CC[N@H+]3C2)c1 ZINC001164904626 721533128 /nfs/dbraw/zinc/53/31/28/721533128.db2.gz FPXPMHLFYRMTJA-BHIYHBOVSA-N 1 1 472.952 3.660 20 0 JHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164905207 721543273 /nfs/dbraw/zinc/54/32/73/721543273.db2.gz GOWIVGGEJBEKFP-VQIMIIECSA-N 1 1 459.884 3.937 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911091 721559480 /nfs/dbraw/zinc/55/94/80/721559480.db2.gz YHRIVFIIUJRBMO-WIYYLYMNSA-N 1 1 450.514 3.642 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164803134 721562722 /nfs/dbraw/zinc/56/27/22/721562722.db2.gz JQADVIHIYVLVLT-CZTZKLFOSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164803134 721562724 /nfs/dbraw/zinc/56/27/24/721562724.db2.gz JQADVIHIYVLVLT-CZTZKLFOSA-N 1 1 458.990 3.954 20 0 JHADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910359 721563251 /nfs/dbraw/zinc/56/32/51/721563251.db2.gz WJSFYRQSSOULDC-URXFXBBRSA-N 1 1 463.557 3.603 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800380 721565859 /nfs/dbraw/zinc/56/58/59/721565859.db2.gz FIEFULGHRIHYTK-AQNXPRMDSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800380 721565861 /nfs/dbraw/zinc/56/58/61/721565861.db2.gz FIEFULGHRIHYTK-AQNXPRMDSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164803974 721576733 /nfs/dbraw/zinc/57/67/33/721576733.db2.gz KFPONGYOTBYMEO-SDHSZQHLSA-N 1 1 452.562 3.955 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164806869 721582213 /nfs/dbraw/zinc/58/22/13/721582213.db2.gz NJCDCAUNESTOBO-MZKUHISZSA-N 1 1 458.562 3.702 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164806869 721582216 /nfs/dbraw/zinc/58/22/16/721582216.db2.gz NJCDCAUNESTOBO-MZKUHISZSA-N 1 1 458.562 3.702 20 0 JHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906546 721691629 /nfs/dbraw/zinc/69/16/29/721691629.db2.gz NJUCKAKMVRFNTQ-IBGZPJMESA-N 1 1 472.918 3.874 20 0 JHADMO FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905405 721691954 /nfs/dbraw/zinc/69/19/54/721691954.db2.gz JBUCAEXTLSAXHZ-HSZRJFAPSA-N 1 1 453.493 3.534 20 0 JHADMO COc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908701 721711324 /nfs/dbraw/zinc/71/13/24/721711324.db2.gz YRBHTVVRDZTCOW-HSZRJFAPSA-N 1 1 452.509 3.680 20 0 JHADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905989 721717324 /nfs/dbraw/zinc/71/73/24/721717324.db2.gz JEVYNOXHBLMONA-DEOSSOPVSA-N 1 1 473.568 3.691 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001165011073 721745716 /nfs/dbraw/zinc/74/57/16/721745716.db2.gz UCQFWJONOUWEMM-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@@H]12)C1CC1 ZINC001165016876 721763480 /nfs/dbraw/zinc/76/34/80/721763480.db2.gz YRRUMRXSUOWFGP-AABGKKOBSA-N 1 1 454.640 3.796 20 0 JHADMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165019333 721780135 /nfs/dbraw/zinc/78/01/35/721780135.db2.gz KCZYGTITVFJNDO-REUBFRLUSA-N 1 1 473.621 3.680 20 0 JHADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CN1c1cccnc1 ZINC001165018311 721792019 /nfs/dbraw/zinc/79/20/19/721792019.db2.gz HPKVBNMGYZYSFM-YLJYHZDGSA-N 1 1 474.634 3.660 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913210 721799771 /nfs/dbraw/zinc/79/97/71/721799771.db2.gz BGIRKPDNFRRFJK-VPUSJEBWSA-N 1 1 465.642 3.521 20 0 JHADMO 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 721832347 /nfs/dbraw/zinc/83/23/47/721832347.db2.gz USUMUDVWRXAVFC-ZYSHUDEJSA-N 1 1 485.000 3.815 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934573 721879784 /nfs/dbraw/zinc/87/97/84/721879784.db2.gz SDKNBJQEYXDHBH-LEWJYISDSA-N 1 1 468.715 3.771 20 0 JHADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934573 721879786 /nfs/dbraw/zinc/87/97/86/721879786.db2.gz SDKNBJQEYXDHBH-LEWJYISDSA-N 1 1 468.715 3.771 20 0 JHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164943951 721933694 /nfs/dbraw/zinc/93/36/94/721933694.db2.gz QAXRLAAVJBEQHL-SFHVURJKSA-N 1 1 458.990 3.586 20 0 JHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044088 721940078 /nfs/dbraw/zinc/94/00/78/721940078.db2.gz HFCWRRVFJFJZNJ-UHFFFAOYSA-N 1 1 452.292 3.907 20 0 JHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164943680 721973995 /nfs/dbraw/zinc/97/39/95/721973995.db2.gz BLFRLAWWUMXNSY-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164943680 721973996 /nfs/dbraw/zinc/97/39/96/721973996.db2.gz BLFRLAWWUMXNSY-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164945899 721975156 /nfs/dbraw/zinc/97/51/56/721975156.db2.gz HAIDVEVKNXFLGD-UHFFFAOYSA-N 1 1 484.579 3.590 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164950849 722001762 /nfs/dbraw/zinc/00/17/62/722001762.db2.gz KLWMYXUGJJLCHK-NQAVQENRSA-N 1 1 455.628 3.641 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@H]32)nc1 ZINC001164950847 722001845 /nfs/dbraw/zinc/00/18/45/722001845.db2.gz KLWMYXUGJJLCHK-BWKHYTDRSA-N 1 1 455.628 3.641 20 0 JHADMO Cc1cc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc(N3CCOCC3)c2s1 ZINC001164956070 722019474 /nfs/dbraw/zinc/01/94/74/722019474.db2.gz VZLWGVXDLWPJSQ-UHFFFAOYSA-N 1 1 464.639 3.724 20 0 JHADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164961068 722041942 /nfs/dbraw/zinc/04/19/42/722041942.db2.gz LDSSAGFEDGLXID-BJLQDIEVSA-N 1 1 494.665 3.940 20 0 JHADMO c1cnn(Cc2noc3c2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)CC3)c1 ZINC001164959549 722050666 /nfs/dbraw/zinc/05/06/66/722050666.db2.gz MRLCTUPNDZXVER-UHFFFAOYSA-N 1 1 475.622 3.961 20 0 JHADMO COc1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164958698 722051716 /nfs/dbraw/zinc/05/17/16/722051716.db2.gz FEVPBWADSZQOCQ-UHFFFAOYSA-N 1 1 453.974 3.806 20 0 JHADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959434 722053295 /nfs/dbraw/zinc/05/32/95/722053295.db2.gz JGPAQYNRIVJBTK-UHFFFAOYSA-N 1 1 493.002 3.789 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963849 722055840 /nfs/dbraw/zinc/05/58/40/722055840.db2.gz NXNSLZMSPPFTJO-UHFFFAOYSA-N 1 1 492.045 3.543 20 0 JHADMO O=C1[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969119 722082148 /nfs/dbraw/zinc/08/21/48/722082148.db2.gz IBJZAVWRWQLOLE-VXKWHMMOSA-N 1 1 472.992 3.724 20 0 JHADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164970003 722083955 /nfs/dbraw/zinc/08/39/55/722083955.db2.gz SURVMNHZDLMTIA-VWLOTQADSA-N 1 1 465.623 3.638 20 0 JHADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164970001 722084073 /nfs/dbraw/zinc/08/40/73/722084073.db2.gz SURVMNHZDLMTIA-RUZDIDTESA-N 1 1 465.623 3.638 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979935 722102535 /nfs/dbraw/zinc/10/25/35/722102535.db2.gz IJSUMTPQKVRXPO-HOTGVXAUSA-N 1 1 455.962 3.519 20 0 JHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164975556 722107526 /nfs/dbraw/zinc/10/75/26/722107526.db2.gz CNEPLOYUZTYMCF-ZIAGYGMSSA-N 1 1 480.787 3.502 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980314 722133513 /nfs/dbraw/zinc/13/35/13/722133513.db2.gz MRORRJGGPOWADL-UWJYYQICSA-N 1 1 475.927 3.830 20 0 JHADMO 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CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001306627479 1069324127 /nfs/dbraw/zinc/32/41/27/1069324127.db2.gz UOWYFNFPEXBMKU-FGZHOGPDSA-N 1 1 477.600 3.539 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCO2)CC[N@H+]1CCOC ZINC001306627852 1069325208 /nfs/dbraw/zinc/32/52/08/1069325208.db2.gz VOGPXZCDBRYRMH-RPWUZVMVSA-N 1 1 455.647 3.684 20 0 JHADMO CCC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001306628127 1069325443 /nfs/dbraw/zinc/32/54/43/1069325443.db2.gz CKBSAUYSYPRSOK-UKILVPOCSA-N 1 1 485.673 3.836 20 0 JHADMO CCC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001306629020 1069327748 /nfs/dbraw/zinc/32/77/48/1069327748.db2.gz HPWMDQLJJSYYIQ-BJKOFHAPSA-N 1 1 471.646 3.528 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC[N@H+]1CCOC ZINC001306630151 1069329673 /nfs/dbraw/zinc/32/96/73/1069329673.db2.gz NQQWZFQZLNZOOY-HXUWFJFHSA-N 1 1 497.688 3.747 20 0 JHADMO 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CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306635624 1069343296 /nfs/dbraw/zinc/34/32/96/1069343296.db2.gz RJHZLVMUCGNBSG-XPWALMASSA-N 1 1 476.710 3.577 20 0 JHADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360648 1069344672 /nfs/dbraw/zinc/34/46/72/1069344672.db2.gz USBDVJONHPIYDS-JQVVWYNYSA-N 1 1 455.624 3.535 20 0 JHADMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311361724 1069345006 /nfs/dbraw/zinc/34/50/06/1069345006.db2.gz WEQGOHVYLWNRMF-OPYAIIAOSA-N 1 1 455.018 3.613 20 0 JHADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@@H]21 ZINC001311364020 1069346449 /nfs/dbraw/zinc/34/64/49/1069346449.db2.gz XEGSDZZHZTVBSI-QPPBQGQZSA-N 1 1 450.583 3.720 20 0 JHADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCC1 ZINC001311367961 1069347353 /nfs/dbraw/zinc/34/73/53/1069347353.db2.gz CPNRKKIOXZVDSD-XMMPIXPASA-N 1 1 454.590 3.553 20 0 JHADMO 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CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306643797 1069355092 /nfs/dbraw/zinc/35/50/92/1069355092.db2.gz GAVMDCDZWYKUSC-PGRDOPGGSA-N 1 1 489.064 3.786 20 0 JHADMO CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001306641475 1069352394 /nfs/dbraw/zinc/35/23/94/1069352394.db2.gz LWEFQFGYABKIKA-UHFFFAOYSA-N 1 1 482.673 3.915 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CC[N@H+]1CCOC ZINC001306645644 1069357542 /nfs/dbraw/zinc/35/75/42/1069357542.db2.gz LOEJXNLFNIXCFN-MRXNPFEDSA-N 1 1 458.554 3.530 20 0 JHADMO Cc1cccc([C@H](CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389781 1069357544 /nfs/dbraw/zinc/35/75/44/1069357544.db2.gz AKLKFWATCHHOIK-UIOOFZCWSA-N 1 1 452.643 3.824 20 0 JHADMO CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306647567 1069359409 /nfs/dbraw/zinc/35/94/09/1069359409.db2.gz MTWHXZNHIJCDRG-IBGZPJMESA-N 1 1 451.619 3.957 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)CC[N@H+]1CCOC ZINC001306649566 1069361546 /nfs/dbraw/zinc/36/15/46/1069361546.db2.gz VKVJVQCGGIQKNJ-SFHVURJKSA-N 1 1 450.027 3.961 20 0 JHADMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406903 1069365107 /nfs/dbraw/zinc/36/51/07/1069365107.db2.gz XITYJPKQTIPYPB-UXHICEINSA-N 1 1 452.521 3.685 20 0 JHADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)C1 ZINC001311430180 1069376506 /nfs/dbraw/zinc/37/65/06/1069376506.db2.gz IKLXICTZYXKFLH-FQEVSTJZSA-N 1 1 454.656 3.604 20 0 JHADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306660002 1069378172 /nfs/dbraw/zinc/37/81/72/1069378172.db2.gz FWBCGHYCXDRKII-OAQYLSRUSA-N 1 1 481.689 3.903 20 0 JHADMO 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 1069383327 /nfs/dbraw/zinc/38/33/27/1069383327.db2.gz LCIDPDPEOPFBMB-FNAHDJPLSA-N 1 1 460.594 3.845 20 0 JHADMO CCCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001306663538 1069385946 /nfs/dbraw/zinc/38/59/46/1069385946.db2.gz AXASNRSUIWTRQZ-SFHVURJKSA-N 1 1 455.994 3.872 20 0 JHADMO COC(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001311463392 1069390262 /nfs/dbraw/zinc/39/02/62/1069390262.db2.gz WRBOFSHGLKXSFW-KDURUIRLSA-N 1 1 454.571 3.816 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001306664837 1069390433 /nfs/dbraw/zinc/39/04/33/1069390433.db2.gz KJHPZAHDZANSBX-PKTZIBPZSA-N 1 1 474.694 3.521 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC1 ZINC001306678957 1069403693 /nfs/dbraw/zinc/40/36/93/1069403693.db2.gz HMQPNWOTUGMWBP-UHFFFAOYSA-N 1 1 456.664 3.593 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 ZINC001306678923 1069403753 /nfs/dbraw/zinc/40/37/53/1069403753.db2.gz FYWDBWUPKIHUBZ-QFIPXVFZSA-N 1 1 465.708 3.709 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001306679301 1069404267 /nfs/dbraw/zinc/40/42/67/1069404267.db2.gz HBCHOHVARMBGAC-UHFFFAOYSA-N 1 1 477.675 3.762 20 0 JHADMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3Br)cc2)CC1 ZINC001311496091 1069406295 /nfs/dbraw/zinc/40/62/95/1069406295.db2.gz MOCDOMNSMBTFSP-RBBKRZOGSA-N 1 1 457.416 3.552 20 0 JHADMO CN(C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311496420 1069406371 /nfs/dbraw/zinc/40/63/71/1069406371.db2.gz MYVGHIAOKJREBF-LOSJGSFVSA-N 1 1 450.627 3.822 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NC2CCCCC2)CC1 ZINC001306680724 1069407736 /nfs/dbraw/zinc/40/77/36/1069407736.db2.gz ZVMLXBILVUXMHA-UHFFFAOYSA-N 1 1 455.651 3.670 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001306681508 1069410366 /nfs/dbraw/zinc/41/03/66/1069410366.db2.gz MERNYFFUVYNLNQ-LJQANCHMSA-N 1 1 459.982 3.600 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001306681645 1069411261 /nfs/dbraw/zinc/41/12/61/1069411261.db2.gz QBNJJNOJGBRACO-UHFFFAOYSA-N 1 1 457.026 3.839 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CCC)C1 ZINC001306680818 1069408560 /nfs/dbraw/zinc/40/85/60/1069408560.db2.gz GUIUUTBIYKLGMF-GOSISDBHSA-N 1 1 467.456 3.783 20 0 JHADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)cc2)C1 ZINC001311499532 1069408643 /nfs/dbraw/zinc/40/86/43/1069408643.db2.gz YUICGUHRNNPANY-VGOFRKELSA-N 1 1 456.537 3.801 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001306682138 1069412669 /nfs/dbraw/zinc/41/26/69/1069412669.db2.gz AIWOXEKWZIPCPS-UHFFFAOYSA-N 1 1 477.535 3.921 20 0 JHADMO Cc1ccc(NC(=O)C2(CNC(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CCCC2)cc1C ZINC001311511134 1069416418 /nfs/dbraw/zinc/41/64/18/1069416418.db2.gz NCCWFHFAVQGTLX-SFTDATJTSA-N 1 1 458.647 3.989 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306682638 1069413826 /nfs/dbraw/zinc/41/38/26/1069413826.db2.gz KFCQTZKZOOZKHY-HNNXBMFYSA-N 1 1 454.402 3.983 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306682607 1069414012 /nfs/dbraw/zinc/41/40/12/1069414012.db2.gz JIEPCRHRROHWPF-KNQAVFIVSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001306683254 1069415910 /nfs/dbraw/zinc/41/59/10/1069415910.db2.gz WFCGOHLDSMTIAU-LJQANCHMSA-N 1 1 457.579 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001306684241 1069419486 /nfs/dbraw/zinc/41/94/86/1069419486.db2.gz JBPSGJIPJBQXEY-GOSISDBHSA-N 1 1 460.623 3.522 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C)CC1 ZINC001306684930 1069420149 /nfs/dbraw/zinc/42/01/49/1069420149.db2.gz UADXCERCHQWEQV-LJQANCHMSA-N 1 1 451.619 3.550 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001306685457 1069420849 /nfs/dbraw/zinc/42/08/49/1069420849.db2.gz DZAXUSJOOBHISX-ACRUOGEOSA-N 1 1 478.682 3.943 20 0 JHADMO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001311526290 1069423338 /nfs/dbraw/zinc/42/33/38/1069423338.db2.gz WSWPKHJYCVZKBM-YADARESESA-N 1 1 452.599 3.627 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001311529046 1069424597 /nfs/dbraw/zinc/42/45/97/1069424597.db2.gz GSNBRCULFZWCEA-DENIHFKCSA-N 1 1 465.516 3.921 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306687531 1069424593 /nfs/dbraw/zinc/42/45/93/1069424593.db2.gz KXBOTFNNVKUQJQ-UHFFFAOYSA-N 1 1 494.688 3.643 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C ZINC001306688589 1069425767 /nfs/dbraw/zinc/42/57/67/1069425767.db2.gz QANAEALXUNZRNQ-NRFANRHFSA-N 1 1 488.681 3.760 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306688946 1069425809 /nfs/dbraw/zinc/42/58/09/1069425809.db2.gz SCNOTVWVBFPCJP-KRWDZBQOSA-N 1 1 488.549 3.952 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001306688733 1069425953 /nfs/dbraw/zinc/42/59/53/1069425953.db2.gz VEDXUYYEFUFITG-DHIUTWEWSA-N 1 1 488.721 3.767 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536590 1069428989 /nfs/dbraw/zinc/42/89/89/1069428989.db2.gz XNKZYBFEGKHDSB-NHCUHLMSSA-N 1 1 458.569 3.744 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001306692628 1069429904 /nfs/dbraw/zinc/42/99/04/1069429904.db2.gz OITOVKNCWXRMML-IBGZPJMESA-N 1 1 451.619 3.550 20 0 JHADMO CCCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001306694583 1069431334 /nfs/dbraw/zinc/43/13/34/1069431334.db2.gz JBNQOJZPSYPXJB-IBGZPJMESA-N 1 1 452.644 3.553 20 0 JHADMO CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001306703124 1069438986 /nfs/dbraw/zinc/43/89/86/1069438986.db2.gz IUOYUULQZXDVIT-HXUWFJFHSA-N 1 1 489.462 3.559 20 0 JHADMO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001311595947 1069457535 /nfs/dbraw/zinc/45/75/35/1069457535.db2.gz YWVHZMOGQJUMDU-ZEQKJWHPSA-N 1 1 450.627 3.674 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306721539 1069457919 /nfs/dbraw/zinc/45/79/19/1069457919.db2.gz BDKJANNNLJKLNI-JAXLGGSGSA-N 1 1 486.636 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC001306721573 1069458540 /nfs/dbraw/zinc/45/85/40/1069458540.db2.gz BTVPBJIMXPBKCZ-UEQSERJNSA-N 1 1 460.711 3.993 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC001306721572 1069458551 /nfs/dbraw/zinc/45/85/51/1069458551.db2.gz BTVPBJIMXPBKCZ-QPXUXIHVSA-N 1 1 460.711 3.993 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306722456 1069460270 /nfs/dbraw/zinc/46/02/70/1069460270.db2.gz LNZMWAUZRGDKGZ-WIYYLYMNSA-N 1 1 459.038 3.920 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306722678 1069460927 /nfs/dbraw/zinc/46/09/27/1069460927.db2.gz KBWZEYAOGZAGPY-VXKWHMMOSA-N 1 1 452.647 4.000 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(CC)CC ZINC001306722651 1069461061 /nfs/dbraw/zinc/46/10/61/1069461061.db2.gz JRGONKJJRKKWOR-IBGZPJMESA-N 1 1 451.619 3.693 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306722579 1069461144 /nfs/dbraw/zinc/46/11/44/1069461144.db2.gz JDRWWGDMYXFTCH-JOCHJYFZSA-N 1 1 481.689 3.998 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306723202 1069462970 /nfs/dbraw/zinc/46/29/70/1069462970.db2.gz OVRCJFMRTCVPLO-FPOVZHCZSA-N 1 1 463.630 3.848 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC001306723349 1069463619 /nfs/dbraw/zinc/46/36/19/1069463619.db2.gz RTGFWLFWHNMNFW-RTWAWAEBSA-N 1 1 472.682 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306723561 1069464004 /nfs/dbraw/zinc/46/40/04/1069464004.db2.gz UHOVQETYYDNKDW-CLOONOSVSA-N 1 1 489.064 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306725683 1069467020 /nfs/dbraw/zinc/46/70/20/1069467020.db2.gz GPTYOLUBLARRSO-BHDDXSALSA-N 1 1 476.666 3.542 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306726229 1069468918 /nfs/dbraw/zinc/46/89/18/1069468918.db2.gz KOJKZLLSJRLKCA-SIKLNZKXSA-N 1 1 473.065 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001306726449 1069469434 /nfs/dbraw/zinc/46/94/34/1069469434.db2.gz MMVUEFHRDFQURS-JOCHJYFZSA-N 1 1 456.610 3.597 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306726416 1069469449 /nfs/dbraw/zinc/46/94/49/1069469449.db2.gz LVTUPEGPEVQEJQ-QFIPXVFZSA-N 1 1 487.718 3.641 20 0 JHADMO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311618968 1069469919 /nfs/dbraw/zinc/46/99/19/1069469919.db2.gz JJQJEVQWRFDCEI-AVRDEDQJSA-N 1 1 454.546 3.627 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729560 1069478646 /nfs/dbraw/zinc/47/86/46/1069478646.db2.gz KZLDAGXWVZAIGX-YADHBBJMSA-N 1 1 490.693 3.615 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306731621 1069486970 /nfs/dbraw/zinc/48/69/70/1069486970.db2.gz RVAFJECFQHKHSW-AFXVXQJMSA-N 1 1 477.694 3.908 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306732181 1069488783 /nfs/dbraw/zinc/48/87/83/1069488783.db2.gz VGEHFZIXXUGZDS-NRFANRHFSA-N 1 1 474.694 3.839 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2C[C@H]2CCCn3cc[nH+]c32)C1 ZINC001306732414 1069489743 /nfs/dbraw/zinc/48/97/43/1069489743.db2.gz OZUGDVYAUQHQLQ-PWRODBHTSA-N 1 1 455.651 3.772 20 0 JHADMO 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 1069497454 /nfs/dbraw/zinc/49/74/54/1069497454.db2.gz PLLATWRVTIGNCM-FGTMMUONSA-N 1 1 458.582 3.601 20 0 JHADMO 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 1069497466 /nfs/dbraw/zinc/49/74/66/1069497466.db2.gz GZSGPUKPKQLXMQ-XOPFUANDSA-N 1 1 468.564 3.599 20 0 JHADMO 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 1069497485 /nfs/dbraw/zinc/49/74/85/1069497485.db2.gz PLLATWRVTIGNCM-KSZLIROESA-N 1 1 458.582 3.601 20 0 JHADMO 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 1069497895 /nfs/dbraw/zinc/49/78/95/1069497895.db2.gz GEGROBPPKJRSEG-RDGPPVDQSA-N 1 1 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CN(c1ccccc1)c1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cn1 ZINC001308607969 1070400852 /nfs/dbraw/zinc/40/08/52/1070400852.db2.gz UMBNMUFZUVHDJM-UHFFFAOYSA-N 1 1 451.596 3.543 20 0 JHADMO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C[C@H]1n1ccnc1 ZINC001308602979 1070398884 /nfs/dbraw/zinc/39/88/84/1070398884.db2.gz IOBODCJZVCBPML-LAUBAEHRSA-N 1 1 453.414 3.984 20 0 JHADMO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C[C@H]1n1ccnc1 ZINC001308602979 1070398893 /nfs/dbraw/zinc/39/88/93/1070398893.db2.gz IOBODCJZVCBPML-LAUBAEHRSA-N 1 1 453.414 3.984 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001308602443 1070399012 /nfs/dbraw/zinc/39/90/12/1070399012.db2.gz BBLGSHQTCHFVRK-QGTPRVQTSA-N 1 1 451.361 3.644 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001308602443 1070399031 /nfs/dbraw/zinc/39/90/31/1070399031.db2.gz BBLGSHQTCHFVRK-QGTPRVQTSA-N 1 1 451.361 3.644 20 0 JHADMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)s1 ZINC001308603058 1070399860 /nfs/dbraw/zinc/39/98/60/1070399860.db2.gz FHWGNRRTKAWTEL-ZWKOTPCHSA-N 1 1 450.649 3.994 20 0 JHADMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)s1 ZINC001308603058 1070399878 /nfs/dbraw/zinc/39/98/78/1070399878.db2.gz FHWGNRRTKAWTEL-ZWKOTPCHSA-N 1 1 450.649 3.994 20 0 JHADMO C[N@@H+](CCN1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1)Cc1ccccc1 ZINC001308615061 1070402417 /nfs/dbraw/zinc/40/24/17/1070402417.db2.gz CIJDTOPWIHYBEL-UHFFFAOYSA-N 1 1 459.425 3.824 20 0 JHADMO CC(C)(C)OC(=O)N1[C@H](C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)COC1(C)C ZINC001308631082 1070406467 /nfs/dbraw/zinc/40/64/67/1070406467.db2.gz RKFAYMPLKKCBEN-GOSISDBHSA-N 1 1 452.665 3.930 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccncc2Cl)CC1 ZINC001314494398 1070409808 /nfs/dbraw/zinc/40/98/08/1070409808.db2.gz QPNNAZNCESBSDE-SFHVURJKSA-N 1 1 488.995 3.812 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cscc2C)CC1 ZINC001314494435 1070410025 /nfs/dbraw/zinc/41/00/25/1070410025.db2.gz QQDBQSKEGJWXRG-UHFFFAOYSA-N 1 1 482.654 3.724 20 0 JHADMO CCOC(=O)c1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC001308651930 1070410856 /nfs/dbraw/zinc/41/08/56/1070410856.db2.gz ZAPAQURJDWDXAI-UHFFFAOYSA-N 1 1 459.472 3.989 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)C[C@@H]1CC ZINC001314495120 1070411929 /nfs/dbraw/zinc/41/19/29/1070411929.db2.gz DQUHVQMEUNKSNU-SFHVURJKSA-N 1 1 450.027 3.961 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1CC ZINC001314494130 1070409254 /nfs/dbraw/zinc/40/92/54/1070409254.db2.gz NOIPPJGWWMFFIE-CPJSRVTESA-N 1 1 461.651 3.630 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1CC ZINC001314495587 1070414540 /nfs/dbraw/zinc/41/45/40/1070414540.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 1 1 454.663 3.757 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1CC ZINC001314495587 1070414543 /nfs/dbraw/zinc/41/45/43/1070414543.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 1 1 454.663 3.757 20 0 JHADMO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681469 1070417557 /nfs/dbraw/zinc/41/75/57/1070417557.db2.gz AXGQIYCURKMSKA-FXAWDEMLSA-N 1 1 454.571 3.858 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001314495892 1070416146 /nfs/dbraw/zinc/41/61/46/1070416146.db2.gz MIRRLXCCIRBEFI-UHFFFAOYSA-N 1 1 466.630 3.795 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1CC ZINC001314496103 1070416338 /nfs/dbraw/zinc/41/63/38/1070416338.db2.gz NFRFFRZJYWHDTM-ATIYNZHBSA-N 1 1 486.730 3.628 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001314497073 1070419763 /nfs/dbraw/zinc/41/97/63/1070419763.db2.gz XQWKSYHDROZRTM-IBGZPJMESA-N 1 1 471.005 3.620 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(C)C)CC1 ZINC001314497912 1070422218 /nfs/dbraw/zinc/42/22/18/1070422218.db2.gz GSJCVPNSWHVEMR-NRFANRHFSA-N 1 1 478.682 3.945 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)C[C@H]1CC ZINC001314498335 1070423816 /nfs/dbraw/zinc/42/38/16/1070423816.db2.gz CKQJNGPQLSSWGT-JOCHJYFZSA-N 1 1 476.065 3.765 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)CCCS2)CC1 ZINC001314498425 1070423851 /nfs/dbraw/zinc/42/38/51/1070423851.db2.gz MKTJJEHGWLGAQO-XMMPIXPASA-N 1 1 459.660 3.610 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001314498334 1070423880 /nfs/dbraw/zinc/42/38/80/1070423880.db2.gz CIQLRGXTCMSPCT-HXUWFJFHSA-N 1 1 465.564 3.992 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCSC2(C)C)CC1 ZINC001314498609 1070424714 /nfs/dbraw/zinc/42/47/14/1070424714.db2.gz DMBWLSSDSQWOOI-JOCHJYFZSA-N 1 1 457.688 3.868 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)no2)C[C@H]1CC ZINC001314498729 1070424784 /nfs/dbraw/zinc/42/47/84/1070424784.db2.gz FVKRAFSCBGZIHD-OAQYLSRUSA-N 1 1 473.021 3.804 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001313463546 1070425023 /nfs/dbraw/zinc/42/50/23/1070425023.db2.gz DUDWJSGWOZOJEU-GGAORHGYSA-N 1 1 470.637 3.625 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1CC ZINC001314498977 1070425642 /nfs/dbraw/zinc/42/56/42/1070425642.db2.gz VHESQENETREHID-SFTDATJTSA-N 1 1 461.676 3.683 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2OCCC2(C)C)C[C@@H]1CC ZINC001314498970 1070425663 /nfs/dbraw/zinc/42/56/63/1070425663.db2.gz VHESQENETREHID-LEWJYISDSA-N 1 1 461.676 3.683 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CC ZINC001314499247 1070426259 /nfs/dbraw/zinc/42/62/59/1070426259.db2.gz BJRFIRYEFOCSAG-FPOVZHCZSA-N 1 1 481.563 3.786 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC001314499433 1070427386 /nfs/dbraw/zinc/42/73/86/1070427386.db2.gz KHTNBRZVXQLJEP-ARNLJNQMSA-N 1 1 469.674 3.930 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001314499434 1070427416 /nfs/dbraw/zinc/42/74/16/1070427416.db2.gz KHTNBRZVXQLJEP-JBRSBNLGSA-N 1 1 469.674 3.930 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)s2)C[C@H]1CC ZINC001314499486 1070427960 /nfs/dbraw/zinc/42/79/60/1070427960.db2.gz LFCKUDAAXOTSHX-LJQANCHMSA-N 1 1 475.062 3.964 20 0 JHADMO CCOCCN1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1CC ZINC001314499693 1070427979 /nfs/dbraw/zinc/42/79/79/1070427979.db2.gz DKHJBWJGOVSGHQ-VWLOTQADSA-N 1 1 496.744 3.903 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001314500425 1070430732 /nfs/dbraw/zinc/43/07/32/1070430732.db2.gz UTBDJNQUSDYWNY-FCHUYYIVSA-N 1 1 478.037 3.719 20 0 JHADMO CCOCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314500656 1070431517 /nfs/dbraw/zinc/43/15/17/1070431517.db2.gz XDWRJFSGYPWUSW-HSZRJFAPSA-N 1 1 489.108 3.801 20 0 JHADMO CCOCCOc1cc(C)ccc1Cn1c(-c2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001314502686 1070438201 /nfs/dbraw/zinc/43/82/01/1070438201.db2.gz GBQIKGZPBSYRFE-NRFANRHFSA-N 1 1 464.614 3.643 20 0 JHADMO CC(C)(C)OC(=O)NC1(CC[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)CCOCC1 ZINC001308802238 1070440316 /nfs/dbraw/zinc/44/03/16/1070440316.db2.gz OOMKMJXPTCZIMN-FQEVSTJZSA-N 1 1 453.624 3.974 20 0 JHADMO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@@H+](Cc4cc(Cl)cs4)CC[C@@H]32)CC1 ZINC001308817572 1070442533 /nfs/dbraw/zinc/44/25/33/1070442533.db2.gz GTHOKWYUTCTQOG-MSOLQXFVSA-N 1 1 455.024 3.769 20 0 JHADMO CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@H+](Cc4cc(Cl)cs4)CC[C@@H]32)CC1 ZINC001308817572 1070442536 /nfs/dbraw/zinc/44/25/36/1070442536.db2.gz GTHOKWYUTCTQOG-MSOLQXFVSA-N 1 1 455.024 3.769 20 0 JHADMO Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001308818440 1070442745 /nfs/dbraw/zinc/44/27/45/1070442745.db2.gz UDTOPBAXWJAGSO-RBBKRZOGSA-N 1 1 458.578 3.946 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(C3OCCO3)s2)C1 ZINC001308841846 1070446000 /nfs/dbraw/zinc/44/60/00/1070446000.db2.gz NKKGTBWQXPWZND-KBAYOESNSA-N 1 1 453.605 3.615 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(C3OCCO3)s2)C1 ZINC001308841846 1070446012 /nfs/dbraw/zinc/44/60/12/1070446012.db2.gz NKKGTBWQXPWZND-KBAYOESNSA-N 1 1 453.605 3.615 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001313468681 1070449453 /nfs/dbraw/zinc/44/94/53/1070449453.db2.gz OMIOHWYEOKIZMX-OAQYLSRUSA-N 1 1 496.700 3.706 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001314507339 1070454593 /nfs/dbraw/zinc/45/45/93/1070454593.db2.gz HCGGTDCUNCYHCC-OAQYLSRUSA-N 1 1 473.687 3.644 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001314507339 1070454597 /nfs/dbraw/zinc/45/45/97/1070454597.db2.gz HCGGTDCUNCYHCC-OAQYLSRUSA-N 1 1 473.687 3.644 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001313469567 1070453078 /nfs/dbraw/zinc/45/30/78/1070453078.db2.gz XEOXRRNXJSGFSW-GOSISDBHSA-N 1 1 459.038 3.683 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001313470218 1070455932 /nfs/dbraw/zinc/45/59/32/1070455932.db2.gz LWYLVQMNMGIQSO-NRFANRHFSA-N 1 1 467.662 3.512 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314508154 1070457345 /nfs/dbraw/zinc/45/73/45/1070457345.db2.gz NMJNNWRQDSPPID-HXUWFJFHSA-N 1 1 475.703 3.890 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC001308923634 1070459626 /nfs/dbraw/zinc/45/96/26/1070459626.db2.gz WDZCEFXSKRPGOS-UHFFFAOYSA-N 1 1 450.337 3.623 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001313472087 1070464996 /nfs/dbraw/zinc/46/49/96/1070464996.db2.gz UKZSKRMBVRHIDQ-FQEVSTJZSA-N 1 1 452.647 3.728 20 0 JHADMO COCC[C@H](C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)NC(=O)OC(C)(C)C ZINC001308961156 1070466236 /nfs/dbraw/zinc/46/62/36/1070466236.db2.gz RBAGLWSVBCUWCL-NQIIRXRSSA-N 1 1 457.409 3.662 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314511050 1070468614 /nfs/dbraw/zinc/46/86/14/1070468614.db2.gz GBLQTBVWBVPOFU-FQEVSTJZSA-N 1 1 479.735 3.925 20 0 JHADMO 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 1070480765 /nfs/dbraw/zinc/48/07/65/1070480765.db2.gz VIBWMTZFMWBCQJ-QZTJIDSGSA-N 1 1 481.732 3.731 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001313476984 1070483157 /nfs/dbraw/zinc/48/31/57/1070483157.db2.gz MJKFXLNEWBQYBF-LJQANCHMSA-N 1 1 489.064 3.595 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001309032853 1070497617 /nfs/dbraw/zinc/49/76/17/1070497617.db2.gz YWKPCEFOVKSQMH-UHFFFAOYSA-N 1 1 452.624 3.753 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001309032853 1070497623 /nfs/dbraw/zinc/49/76/23/1070497623.db2.gz YWKPCEFOVKSQMH-UHFFFAOYSA-N 1 1 452.624 3.753 20 0 JHADMO CCCNC(=O)CCn1c(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 ZINC001313485627 1070502044 /nfs/dbraw/zinc/50/20/44/1070502044.db2.gz SEYIMHASJYSSQA-NHCUHLMSSA-N 1 1 452.647 3.583 20 0 JHADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314519059 1070500521 /nfs/dbraw/zinc/50/05/21/1070500521.db2.gz NNMPCXCRYYPYLX-WOJBJXKFSA-N 1 1 486.686 3.806 20 0 JHADMO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313488556 1070507421 /nfs/dbraw/zinc/50/74/21/1070507421.db2.gz SPNQWFRTIXJFJW-NRFANRHFSA-N 1 1 470.662 3.872 20 0 JHADMO CC(F)(F)CCCS(=O)(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001309054329 1070510849 /nfs/dbraw/zinc/51/08/49/1070510849.db2.gz XFNSFFBUBFFIFQ-UHFFFAOYSA-N 1 1 451.583 3.864 20 0 JHADMO CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314530603 1070524922 /nfs/dbraw/zinc/52/49/22/1070524922.db2.gz RISNPWGXXGLRNV-UHFFFAOYSA-N 1 1 468.067 3.591 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001313501407 1070525070 /nfs/dbraw/zinc/52/50/70/1070525070.db2.gz DXJGDOBRSIANMY-SFTDATJTSA-N 1 1 498.672 3.530 20 0 JHADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001309089515 1070533038 /nfs/dbraw/zinc/53/30/38/1070533038.db2.gz CJAFOYXNWRWKNN-CQSZACIVSA-N 1 1 455.379 3.561 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCn2cc[nH+]c2C)cc1OC ZINC001313503567 1070534096 /nfs/dbraw/zinc/53/40/96/1070534096.db2.gz JRTLSERWRCEUSI-SFHVURJKSA-N 1 1 468.602 3.951 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1OC ZINC001313503625 1070534172 /nfs/dbraw/zinc/53/41/72/1070534172.db2.gz 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CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001313647892 1070814693 /nfs/dbraw/zinc/81/46/93/1070814693.db2.gz OWTQYOVEHGVMSS-OAQYLSRUSA-N 1 1 495.697 3.661 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001313647892 1070814721 /nfs/dbraw/zinc/81/47/21/1070814721.db2.gz OWTQYOVEHGVMSS-OAQYLSRUSA-N 1 1 495.697 3.661 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(COc3ccccc3F)nnc2N2CCCC2(C)C)CC1 ZINC001314671528 1070815201 /nfs/dbraw/zinc/81/52/01/1070815201.db2.gz LQHJMIFSUZVCKB-UHFFFAOYSA-N 1 1 458.626 3.649 20 0 JHADMO CN(CC1CC(F)(F)C1)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314671982 1070816025 /nfs/dbraw/zinc/81/60/25/1070816025.db2.gz ZUEAXWFOWFHACY-UHFFFAOYSA-N 1 1 496.597 3.902 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2sccc2C)CC1 ZINC001313648175 1070816474 /nfs/dbraw/zinc/81/64/74/1070816474.db2.gz RWHXIABRAOGJQX-UHFFFAOYSA-N 1 1 496.681 3.752 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2sccc2C)CC1 ZINC001313648175 1070816505 /nfs/dbraw/zinc/81/65/05/1070816505.db2.gz RWHXIABRAOGJQX-UHFFFAOYSA-N 1 1 496.681 3.752 20 0 JHADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001313648572 1070817278 /nfs/dbraw/zinc/81/72/78/1070817278.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 1 1 495.716 3.590 20 0 JHADMO CN(c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOCC1(C)C)[C@@H]1CCSC1 ZINC001314680159 1070830407 /nfs/dbraw/zinc/83/04/07/1070830407.db2.gz GXAZVISTZCFWQA-GOSISDBHSA-N 1 1 480.476 3.760 20 0 JHADMO CN(c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOCC1(C)C)[C@@H]1CCSC1 ZINC001314680159 1070830434 /nfs/dbraw/zinc/83/04/34/1070830434.db2.gz GXAZVISTZCFWQA-GOSISDBHSA-N 1 1 480.476 3.760 20 0 JHADMO COc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1NC(C)=O ZINC001309533638 1070834402 /nfs/dbraw/zinc/83/44/02/1070834402.db2.gz WBXUSIBFQYSNSH-SEJPIABJSA-N 1 1 457.596 3.518 20 0 JHADMO 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CC(=O)c1cc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001309603024 1070878805 /nfs/dbraw/zinc/87/88/05/1070878805.db2.gz COQVJCXVDZQHHG-UTKZUKDTSA-N 1 1 463.397 3.547 20 0 JHADMO CC(=O)c1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1Br ZINC001309603024 1070878829 /nfs/dbraw/zinc/87/88/29/1070878829.db2.gz COQVJCXVDZQHHG-UTKZUKDTSA-N 1 1 463.397 3.547 20 0 JHADMO CCN(c1nnc(C(C)C)n1C[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001313667010 1070887310 /nfs/dbraw/zinc/88/73/10/1070887310.db2.gz ZVJDWUPSXOZOHI-RBUKOAKNSA-N 1 1 453.678 3.560 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001314710154 1070887395 /nfs/dbraw/zinc/88/73/95/1070887395.db2.gz NCKZPPOBOCMBBE-RTWAWAEBSA-N 1 1 460.667 3.668 20 0 JHADMO CCOC(=O)c1cc(S(=O)(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(F)cc1Cl ZINC001309639179 1070896049 /nfs/dbraw/zinc/89/60/49/1070896049.db2.gz CVZKMKZWAHICNY-OAQYLSRUSA-N 1 1 454.951 3.599 20 0 JHADMO CCOC(=O)c1cc(S(=O)(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(F)cc1Cl ZINC001309639179 1070896073 /nfs/dbraw/zinc/89/60/73/1070896073.db2.gz CVZKMKZWAHICNY-OAQYLSRUSA-N 1 1 454.951 3.599 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccccc1F ZINC001314713029 1070899890 /nfs/dbraw/zinc/89/98/90/1070899890.db2.gz BMJRMSWTCVSSDN-FQEVSTJZSA-N 1 1 473.637 3.694 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1CCc1ccncc1 ZINC001314712960 1070898842 /nfs/dbraw/zinc/89/88/42/1070898842.db2.gz XTRZFUHDZPTFET-UHFFFAOYSA-N 1 1 484.595 3.579 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCc1cc(F)cc(F)c1 ZINC001314713341 1070900494 /nfs/dbraw/zinc/90/04/94/1070900494.db2.gz GQZJMIIFOZJVGT-JOCHJYFZSA-N 1 1 477.600 3.835 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CCCn1cccn1 ZINC001314714788 1070904184 /nfs/dbraw/zinc/90/41/84/1070904184.db2.gz XHLSBXGLWHUXEZ-UHFFFAOYSA-N 1 1 472.037 3.680 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314717303 1070908850 /nfs/dbraw/zinc/90/88/50/1070908850.db2.gz WNRWIHCYRFZBQK-MRXNPFEDSA-N 1 1 487.573 3.712 20 0 JHADMO Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc2)c1 ZINC001309668925 1070913371 /nfs/dbraw/zinc/91/33/71/1070913371.db2.gz AVRSJSAMIPVVOG-QFIPXVFZSA-N 1 1 452.576 3.832 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)c1ccco1 ZINC001313676430 1070921148 /nfs/dbraw/zinc/92/11/48/1070921148.db2.gz ZMMZVRJCWBUTNX-LJQANCHMSA-N 1 1 478.018 3.509 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CC=CCC1 ZINC001314725154 1070928572 /nfs/dbraw/zinc/92/85/72/1070928572.db2.gz FFFVTISGMMRPOR-UHFFFAOYSA-N 1 1 457.376 3.518 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCOCC1 ZINC001314725385 1070929888 /nfs/dbraw/zinc/92/98/88/1070929888.db2.gz LPBVMRXEXVXLFR-UHFFFAOYSA-N 1 1 492.393 3.722 20 0 JHADMO C[S@](=O)(=NS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001309722868 1070939555 /nfs/dbraw/zinc/93/95/55/1070939555.db2.gz FPKQZUYEWHSJMK-AFJIDDCJSA-N 1 1 453.674 3.554 20 0 JHADMO C[S@](=O)(=NS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001309722868 1070939566 /nfs/dbraw/zinc/93/95/66/1070939566.db2.gz FPKQZUYEWHSJMK-AFJIDDCJSA-N 1 1 453.674 3.554 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314729450 1070944028 /nfs/dbraw/zinc/94/40/28/1070944028.db2.gz KXPGPOFKNNECPC-UHFFFAOYSA-N 1 1 479.448 3.844 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCOCC1(C)C ZINC001314729450 1070944031 /nfs/dbraw/zinc/94/40/31/1070944031.db2.gz KXPGPOFKNNECPC-UHFFFAOYSA-N 1 1 479.448 3.844 20 0 JHADMO CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001313688068 1070947628 /nfs/dbraw/zinc/94/76/28/1070947628.db2.gz HMYWZGRJFAMSMY-MOPGFXCFSA-N 1 1 464.655 3.553 20 0 JHADMO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001309755222 1070955287 /nfs/dbraw/zinc/95/52/87/1070955287.db2.gz WVVCIEMUONVRKZ-UNMCSNQZSA-N 1 1 457.640 3.605 20 0 JHADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767316 1070960298 /nfs/dbraw/zinc/96/02/98/1070960298.db2.gz JTKSIPHZHQEBGB-FOIQADDNSA-N 1 1 455.393 3.918 20 0 JHADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314736384 1070962586 /nfs/dbraw/zinc/96/25/86/1070962586.db2.gz COKVZIOOAGEKLF-YTTGMZPUSA-N 1 1 454.644 3.912 20 0 JHADMO CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001313696964 1070965274 /nfs/dbraw/zinc/96/52/74/1070965274.db2.gz MTZPUXZMBUECOA-DHIUTWEWSA-N 1 1 455.647 3.923 20 0 JHADMO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314744645 1070986379 /nfs/dbraw/zinc/98/63/79/1070986379.db2.gz IDGWVRBQPYYUQO-IBGZPJMESA-N 1 1 480.078 3.735 20 0 JHADMO CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1F ZINC001309831492 1070988697 /nfs/dbraw/zinc/98/86/97/1070988697.db2.gz ZSQLEBFENBUNGT-MRXNPFEDSA-N 1 1 454.589 3.515 20 0 JHADMO CN(Cc1ccoc1)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001314764584 1071025536 /nfs/dbraw/zinc/02/55/36/1071025536.db2.gz FTPAILMFGNVFEQ-UHFFFAOYSA-N 1 1 451.575 3.809 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975269 1071034566 /nfs/dbraw/zinc/03/45/66/1071034566.db2.gz KEKAKYWICUTNSU-CYFREDJKSA-N 1 1 450.583 3.580 20 0 JHADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C2CCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314772283 1071038835 /nfs/dbraw/zinc/03/88/35/1071038835.db2.gz UFFAOLIKIBEFJW-INIZCTEOSA-N 1 1 472.581 3.894 20 0 JHADMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC001309992415 1071042440 /nfs/dbraw/zinc/04/24/40/1071042440.db2.gz KJGPASBKOPYQBG-UHFFFAOYSA-N 1 1 455.481 3.556 20 0 JHADMO CN(CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)CC[NH+](C)C ZINC001309992415 1071042450 /nfs/dbraw/zinc/04/24/50/1071042450.db2.gz KJGPASBKOPYQBG-UHFFFAOYSA-N 1 1 455.481 3.556 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001313728977 1071041256 /nfs/dbraw/zinc/04/12/56/1071041256.db2.gz QXTIZUNVPCHCGW-LEWJYISDSA-N 1 1 490.656 3.584 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001313729889 1071043201 /nfs/dbraw/zinc/04/32/01/1071043201.db2.gz DFXWZSVWUXOOCS-RBUKOAKNSA-N 1 1 474.600 3.826 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313731852 1071048189 /nfs/dbraw/zinc/04/81/89/1071048189.db2.gz WITNDPSOTURCTQ-SVMVAKDDSA-N 1 1 474.600 3.902 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001313732162 1071049179 /nfs/dbraw/zinc/04/91/79/1071049179.db2.gz YSFIHNOEEJJRPL-KRWDZBQOSA-N 1 1 463.051 3.872 20 0 JHADMO COc1ccccc1NC(=O)c1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001310005634 1071052865 /nfs/dbraw/zinc/05/28/65/1071052865.db2.gz OZRBLFMDFTVZPB-GOSISDBHSA-N 1 1 452.555 3.665 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001313736885 1071059180 /nfs/dbraw/zinc/05/91/80/1071059180.db2.gz YTZBHXLRAIPETP-OAQYLSRUSA-N 1 1 456.610 3.687 20 0 JHADMO CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314782496 1071058038 /nfs/dbraw/zinc/05/80/38/1071058038.db2.gz PVFASUZUIPMQCP-UHFFFAOYSA-N 1 1 467.536 3.589 20 0 JHADMO CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001314782496 1071058046 /nfs/dbraw/zinc/05/80/46/1071058046.db2.gz PVFASUZUIPMQCP-UHFFFAOYSA-N 1 1 467.536 3.589 20 0 JHADMO Cc1ccc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Br ZINC001310010318 1071055764 /nfs/dbraw/zinc/05/57/64/1071055764.db2.gz GZXAFIXPZSCYDL-UHFFFAOYSA-N 1 1 455.397 3.822 20 0 JHADMO CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313741836 1071067937 /nfs/dbraw/zinc/06/79/37/1071067937.db2.gz SREWANCDYHSFNJ-SZPZYZBQSA-N 1 1 482.673 3.623 20 0 JHADMO CN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314790478 1071068510 /nfs/dbraw/zinc/06/85/10/1071068510.db2.gz GTNYHWCLILXMQC-SFTDATJTSA-N 1 1 490.693 3.943 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313745617 1071073892 /nfs/dbraw/zinc/07/38/92/1071073892.db2.gz JTDZHTOYZQEILZ-OYRHEFFESA-N 1 1 466.605 3.929 20 0 JHADMO CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001313743069 1071070214 /nfs/dbraw/zinc/07/02/14/1071070214.db2.gz ZUUJKOMCPXWEBQ-HSZRJFAPSA-N 1 1 452.647 3.909 20 0 JHADMO CN(C[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800088 1071078560 /nfs/dbraw/zinc/07/85/60/1071078560.db2.gz GJOUVMQWWUWSLH-FGZHOGPDSA-N 1 1 488.677 3.865 20 0 JHADMO CN(C[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800089 1071079332 /nfs/dbraw/zinc/07/93/32/1071079332.db2.gz GJOUVMQWWUWSLH-VXKWHMMOSA-N 1 1 488.677 3.865 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001313750779 1071083976 /nfs/dbraw/zinc/08/39/76/1071083976.db2.gz CBXNAOUCADLZDL-HXUWFJFHSA-N 1 1 481.645 3.843 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313751277 1071086012 /nfs/dbraw/zinc/08/60/12/1071086012.db2.gz ZTMLZGBMPXTIGS-FQEVSTJZSA-N 1 1 465.646 3.723 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001313754275 1071093438 /nfs/dbraw/zinc/09/34/38/1071093438.db2.gz XYLAKXSCGIJQHB-LJQANCHMSA-N 1 1 489.466 3.916 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313755925 1071096977 /nfs/dbraw/zinc/09/69/77/1071096977.db2.gz SQCOBDKLRPPBDX-HSZRJFAPSA-N 1 1 486.064 3.639 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001313756925 1071100427 /nfs/dbraw/zinc/10/04/27/1071100427.db2.gz YKJXTFLSELAJQB-UHFFFAOYSA-N 1 1 483.686 3.750 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001313756925 1071100429 /nfs/dbraw/zinc/10/04/29/1071100429.db2.gz YKJXTFLSELAJQB-UHFFFAOYSA-N 1 1 483.686 3.750 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccccc2Br)n1CCn1cc[nH+]c1C ZINC001313774131 1071128833 /nfs/dbraw/zinc/12/88/33/1071128833.db2.gz BYRXSKMKXSXMCU-QGZVFWFLSA-N 1 1 459.392 3.918 20 0 JHADMO CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CC[N@@H+](C)C(C)(C)C3)c2)c1C(F)(F)F ZINC001310118563 1071131896 /nfs/dbraw/zinc/13/18/96/1071131896.db2.gz OIPHHVDJERBMPV-UHFFFAOYSA-N 1 1 453.465 3.626 20 0 JHADMO CCOC(=O)c1cnn(-c2cccc(NC(=O)NCC[N@@H+](C)[C@H](C)CC)c2)c1C(F)(F)F ZINC001310118990 1071132390 /nfs/dbraw/zinc/13/23/90/1071132390.db2.gz WXKBNRBWTYMFIW-CQSZACIVSA-N 1 1 455.481 3.920 20 0 JHADMO Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C(=O)N1CCCC1 ZINC001310125743 1071137107 /nfs/dbraw/zinc/13/71/07/1071137107.db2.gz AOQACNQTWIXTPU-QFIPXVFZSA-N 1 1 450.583 3.644 20 0 JHADMO COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001310159781 1071164879 /nfs/dbraw/zinc/16/48/79/1071164879.db2.gz PQXWUXVARVAQLC-OAQYLSRUSA-N 1 1 452.555 3.851 20 0 JHADMO C[C@](CO)(NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001310173023 1071178466 /nfs/dbraw/zinc/17/84/66/1071178466.db2.gz TWXAWKRUMOVDDP-JOCHJYFZSA-N 1 1 452.382 3.897 20 0 JHADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(OC(F)F)c2ncccc12 ZINC001310180847 1071185785 /nfs/dbraw/zinc/18/57/85/1071185785.db2.gz OWFFHJYEPSKGJO-UHFFFAOYSA-N 1 1 459.472 3.919 20 0 JHADMO CN(CCCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314841054 1071188981 /nfs/dbraw/zinc/18/89/81/1071188981.db2.gz NFAHEQONABRWEV-UHFFFAOYSA-N 1 1 452.647 3.848 20 0 JHADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313795325 1071193874 /nfs/dbraw/zinc/19/38/74/1071193874.db2.gz VQLIONITZYDFKG-UHFFFAOYSA-N 1 1 478.483 3.688 20 0 JHADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313795325 1071193876 /nfs/dbraw/zinc/19/38/76/1071193876.db2.gz VQLIONITZYDFKG-UHFFFAOYSA-N 1 1 478.483 3.688 20 0 JHADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313795325 1071193881 /nfs/dbraw/zinc/19/38/81/1071193881.db2.gz VQLIONITZYDFKG-UHFFFAOYSA-N 1 1 478.483 3.688 20 0 JHADMO C[N@@H+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CCCCC1 ZINC001314845744 1071201796 /nfs/dbraw/zinc/20/17/96/1071201796.db2.gz RAZKQUHHISCGQW-UHFFFAOYSA-N 1 1 495.594 3.823 20 0 JHADMO CN(CCCn1c(C2CCC2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)CC(F)(F)F ZINC001314848358 1071207999 /nfs/dbraw/zinc/20/79/99/1071207999.db2.gz KQOBBICIUGGTJH-PZJWPPBQSA-N 1 1 496.626 3.683 20 0 JHADMO CC[N@@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC001313801552 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CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(C)(C)C ZINC001314871447 1071284158 /nfs/dbraw/zinc/28/41/58/1071284158.db2.gz BHDVOGAABGCBHT-UHFFFAOYSA-N 1 1 498.720 3.825 20 0 JHADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@@H](c2ccccc2)C1)C(C)C ZINC001313822084 1071284691 /nfs/dbraw/zinc/28/46/91/1071284691.db2.gz LHKDJQPKBXPXKL-XMMPIXPASA-N 1 1 465.646 3.838 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1Cc1cccc(C(F)(F)F)c1 ZINC001314872507 1071286860 /nfs/dbraw/zinc/28/68/60/1071286860.db2.gz KXCUXFHUBCAGQN-UHFFFAOYSA-N 1 1 488.558 3.878 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1Cc1cccc(C(F)(F)F)c1 ZINC001314872507 1071286872 /nfs/dbraw/zinc/28/68/72/1071286872.db2.gz KXCUXFHUBCAGQN-UHFFFAOYSA-N 1 1 488.558 3.878 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[C@H]1CCCCO1 ZINC001314872642 1071288015 /nfs/dbraw/zinc/28/80/15/1071288015.db2.gz MEQVHKRTJUZOPK-OAQYLSRUSA-N 1 1 475.609 3.502 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[C@H]1CCCCO1 ZINC001314872642 1071288021 /nfs/dbraw/zinc/28/80/21/1071288021.db2.gz MEQVHKRTJUZOPK-OAQYLSRUSA-N 1 1 475.609 3.502 20 0 JHADMO CCn1cc(C2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)cn1 ZINC001313833466 1071308307 /nfs/dbraw/zinc/30/83/07/1071308307.db2.gz UUKQPLUGQBSQFY-OAQYLSRUSA-N 1 1 457.667 3.578 20 0 JHADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC001310321795 1071305079 /nfs/dbraw/zinc/30/50/79/1071305079.db2.gz BACDZJHHHKOCIN-JOCHJYFZSA-N 1 1 456.612 3.551 20 0 JHADMO CC[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001310341584 1071324493 /nfs/dbraw/zinc/32/44/93/1071324493.db2.gz ALWYOWRPOJKVOT-SFHVURJKSA-N 1 1 450.992 3.670 20 0 JHADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F ZINC001314892230 1071322297 /nfs/dbraw/zinc/32/22/97/1071322297.db2.gz GTPLSGJRCBKIBF-QFBILLFUSA-N 1 1 496.607 3.822 20 0 JHADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(F)F)CC2)cn1 ZINC001314904896 1071342823 /nfs/dbraw/zinc/34/28/23/1071342823.db2.gz DRNPTRYKPITVAP-UHFFFAOYSA-N 1 1 479.963 3.674 20 0 JHADMO COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(OC)c(OC)c1 ZINC001310373699 1071349771 /nfs/dbraw/zinc/34/97/71/1071349771.db2.gz WBAPSKRATMJELB-IBGZPJMESA-N 1 1 455.555 3.914 20 0 JHADMO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001310373737 1071349828 /nfs/dbraw/zinc/34/98/28/1071349828.db2.gz ZEWFHXNGEQNRRJ-QFIPXVFZSA-N 1 1 453.583 3.849 20 0 JHADMO Cn1cc(Br)cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1=O ZINC001310388098 1071360958 /nfs/dbraw/zinc/36/09/58/1071360958.db2.gz UIEQKJAGESHSHD-QFIPXVFZSA-N 1 1 459.388 3.668 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@@H]1C ZINC001313859015 1071363090 /nfs/dbraw/zinc/36/30/90/1071363090.db2.gz ITIFCORNJXNYMK-RBUKOAKNSA-N 1 1 497.669 3.717 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859623 1071365289 /nfs/dbraw/zinc/36/52/89/1071365289.db2.gz HHXOHLYYOLXOGV-IAGOWNOFSA-N 1 1 495.466 3.540 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001314924443 1071367266 /nfs/dbraw/zinc/36/72/66/1071367266.db2.gz OFXFPVYKIRWQOF-OAQYLSRUSA-N 1 1 458.695 3.925 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C ZINC001314925233 1071368151 /nfs/dbraw/zinc/36/81/51/1071368151.db2.gz UTCVEXDHOJNVBQ-NRFANRHFSA-N 1 1 470.637 3.684 20 0 JHADMO 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 1071368305 /nfs/dbraw/zinc/36/83/05/1071368305.db2.gz JQVZVFFKUYMHJD-LSTDLKDCSA-N 1 1 453.990 3.975 20 0 JHADMO CN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001314928884 1071371314 /nfs/dbraw/zinc/37/13/14/1071371314.db2.gz TWBNUGSKSYIKHN-NZQKXSOJSA-N 1 1 494.453 3.987 20 0 JHADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC001310409449 1071374016 /nfs/dbraw/zinc/37/40/16/1071374016.db2.gz RLDGWYVVENGOND-YWZLYKJASA-N 1 1 453.008 3.841 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861540 1071374084 /nfs/dbraw/zinc/37/40/84/1071374084.db2.gz NNQQPZPCCUKTMH-LNLFQRSKSA-N 1 1 450.027 3.931 20 0 JHADMO 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 1071379173 /nfs/dbraw/zinc/37/91/73/1071379173.db2.gz UJWLZEDIUYVJNR-RBUKOAKNSA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC001313863793 1071383300 /nfs/dbraw/zinc/38/33/00/1071383300.db2.gz BAYOGSBANFXYNB-ZIFCJYIRSA-N 1 1 467.536 3.690 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313863016 1071379447 /nfs/dbraw/zinc/37/94/47/1071379447.db2.gz UVVGJVLLYFSVAF-VXKWHMMOSA-N 1 1 498.672 3.652 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313864768 1071387994 /nfs/dbraw/zinc/38/79/94/1071387994.db2.gz VXDWBOKSFXHXMS-QYZOEREBSA-N 1 1 495.603 3.878 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@@H]1C ZINC001313865340 1071391881 /nfs/dbraw/zinc/39/18/81/1071391881.db2.gz ZCBQWKSTFNUVFV-ROUUACIJSA-N 1 1 471.005 3.730 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@H]1C ZINC001313865337 1071392431 /nfs/dbraw/zinc/39/24/31/1071392431.db2.gz ZCBQWKSTFNUVFV-QZTJIDSGSA-N 1 1 471.005 3.730 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865030 1071390034 /nfs/dbraw/zinc/39/00/34/1071390034.db2.gz NOONWIVBOBINFK-MOPGFXCFSA-N 1 1 452.578 3.901 20 0 JHADMO 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 1071397797 /nfs/dbraw/zinc/39/77/97/1071397797.db2.gz LPMNFQIRVPMCRU-RLIDHQHUSA-N 1 1 471.646 3.942 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867178 1071399178 /nfs/dbraw/zinc/39/91/78/1071399178.db2.gz IAPPXLCRWUMMCN-RBUKOAKNSA-N 1 1 462.038 3.695 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313868163 1071403464 /nfs/dbraw/zinc/40/34/64/1071403464.db2.gz BCGKBUZUPKZWHU-AWZJCTCXSA-N 1 1 455.647 3.858 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313869913 1071410432 /nfs/dbraw/zinc/41/04/32/1071410432.db2.gz CQSOHXDFJSHAFO-XFAGBWLFSA-N 1 1 457.619 3.896 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313868776 1071406587 /nfs/dbraw/zinc/40/65/87/1071406587.db2.gz NWOKNDZBNPIXNH-WSTZPKSXSA-N 1 1 494.482 3.878 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869963 1071411482 /nfs/dbraw/zinc/41/14/82/1071411482.db2.gz DFFGYLUZNUDYFE-PMACEKPBSA-N 1 1 499.059 3.910 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313869694 1071409182 /nfs/dbraw/zinc/40/91/82/1071409182.db2.gz QLJKXOZLGWTBMK-CNNODRBYSA-N 1 1 482.629 3.777 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313869694 1071409187 /nfs/dbraw/zinc/40/91/87/1071409187.db2.gz QLJKXOZLGWTBMK-CNNODRBYSA-N 1 1 482.629 3.777 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313869429 1071409285 /nfs/dbraw/zinc/40/92/85/1071409285.db2.gz PTABRAZMNJWWQL-LEWJYISDSA-N 1 1 470.662 3.897 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@H]1C ZINC001313870193 1071412400 /nfs/dbraw/zinc/41/24/00/1071412400.db2.gz ZAUANVCUOLZWOB-MOPGFXCFSA-N 1 1 463.586 3.794 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001314948980 1071413910 /nfs/dbraw/zinc/41/39/10/1071413910.db2.gz FZDRISRTTVJGDV-ZBFHGGJFSA-N 1 1 495.491 3.604 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313870680 1071415282 /nfs/dbraw/zinc/41/52/82/1071415282.db2.gz VMZBVDGVBHEBMR-JKSUJKDBSA-N 1 1 486.405 3.979 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313871417 1071416675 /nfs/dbraw/zinc/41/66/75/1071416675.db2.gz YZBRHFQWECMXKS-OALUTQOASA-N 1 1 481.645 3.794 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313871955 1071420057 /nfs/dbraw/zinc/42/00/57/1071420057.db2.gz VYBGSCGCTDIWOI-QZTJIDSGSA-N 1 1 477.053 3.688 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313873016 1071423790 /nfs/dbraw/zinc/42/37/90/1071423790.db2.gz BPIULJSSRVOVCF-YADHBBJMSA-N 1 1 494.640 3.806 20 0 JHADMO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)nn1-c1ccccc1Cl ZINC001310482458 1071424473 /nfs/dbraw/zinc/42/44/73/1071424473.db2.gz FHTBCJXTVLOEPU-UHFFFAOYSA-N 1 1 452.990 3.903 20 0 JHADMO 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CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313878847 1071445838 /nfs/dbraw/zinc/44/58/38/1071445838.db2.gz ZCKSXSILIZCYQX-SJORKVTESA-N 1 1 462.436 3.932 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878835 1071445993 /nfs/dbraw/zinc/44/59/93/1071445993.db2.gz ZAFVVLMYBMGSGO-RTBURBONSA-N 1 1 450.587 3.519 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879368 1071449542 /nfs/dbraw/zinc/44/95/42/1071449542.db2.gz ZNPZTPITRRUFFX-UXHICEINSA-N 1 1 450.587 3.536 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884066 1071463402 /nfs/dbraw/zinc/46/34/02/1071463402.db2.gz MKIOJHBKJNDKAX-QUCCMNQESA-N 1 1 489.064 3.860 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001313884931 1071465078 /nfs/dbraw/zinc/46/50/78/1071465078.db2.gz VFJFQPJIKHXXPA-LJQANCHMSA-N 1 1 459.038 3.749 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001314975863 1071466070 /nfs/dbraw/zinc/46/60/70/1071466070.db2.gz CTJQLESIAUWWEG-GOSISDBHSA-N 1 1 450.587 3.574 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885181 1071466397 /nfs/dbraw/zinc/46/63/97/1071466397.db2.gz XXHNHGABMSMPSO-IRXDYDNUSA-N 1 1 476.000 3.922 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001314976101 1071466960 /nfs/dbraw/zinc/46/69/60/1071466960.db2.gz HVRRNWSUBUINSF-NRFANRHFSA-N 1 1 464.614 3.963 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313885870 1071468289 /nfs/dbraw/zinc/46/82/89/1071468289.db2.gz QRPAJWKOPLFQDT-RTWAWAEBSA-N 1 1 495.672 3.994 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313886744 1071470723 /nfs/dbraw/zinc/47/07/23/1071470723.db2.gz PVOUYOATWSNTIM-LJQANCHMSA-N 1 1 489.064 3.644 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313886689 1071470832 /nfs/dbraw/zinc/47/08/32/1071470832.db2.gz PKHNBPHYWJLSHQ-NHCUHLMSSA-N 1 1 471.646 3.946 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)C1 ZINC001313888284 1071476851 /nfs/dbraw/zinc/47/68/51/1071476851.db2.gz BGADJLGBXCRASE-IRFCIJBXSA-N 1 1 459.660 3.782 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCOCC2CC2)C1 ZINC001313889013 1071477683 /nfs/dbraw/zinc/47/76/83/1071477683.db2.gz IQPHRLUVJUHSJM-GOSISDBHSA-N 1 1 462.436 3.912 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313888558 1071477720 /nfs/dbraw/zinc/47/77/20/1071477720.db2.gz WOWZXXSFAHRSOG-UXHICEINSA-N 1 1 458.676 3.666 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001313889122 1071479411 /nfs/dbraw/zinc/47/94/11/1071479411.db2.gz GPGKLXXTFJHTTC-DENIHFKCSA-N 1 1 459.660 3.785 20 0 JHADMO 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CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314996629 1071514059 /nfs/dbraw/zinc/51/40/59/1071514059.db2.gz YYHYZACFLQJCIG-FUPPJEDESA-N 1 1 466.674 3.974 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001313902652 1071514106 /nfs/dbraw/zinc/51/41/06/1071514106.db2.gz HTRSVLGSAZOXRU-NZQKXSOJSA-N 1 1 465.646 3.787 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313904953 1071520037 /nfs/dbraw/zinc/52/00/37/1071520037.db2.gz KHIKEOKRDXSDAC-XJABCFGWSA-N 1 1 478.037 3.785 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313903647 1071515618 /nfs/dbraw/zinc/51/56/18/1071515618.db2.gz DATYICUAYYESBR-QKNQBKEWSA-N 1 1 459.660 3.705 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 ZINC001313904199 1071517371 /nfs/dbraw/zinc/51/73/71/1071517371.db2.gz QFKMTGBABBATGZ-CTNGQTDRSA-N 1 1 462.038 3.961 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313904307 1071517791 /nfs/dbraw/zinc/51/77/91/1071517791.db2.gz TURVFRIZKSZDTC-FCHUYYIVSA-N 1 1 452.647 3.726 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313904524 1071518605 /nfs/dbraw/zinc/51/86/05/1071518605.db2.gz IYSOVNBKOFTOTM-BSWQBHCVSA-N 1 1 489.064 3.908 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313904541 1071518621 /nfs/dbraw/zinc/51/86/21/1071518621.db2.gz QQNQBJPQBRZSRS-ROUUACIJSA-N 1 1 484.542 3.553 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906248 1071523979 /nfs/dbraw/zinc/52/39/79/1071523979.db2.gz VRLCKOZLLLDAQV-UFYCRDLUSA-N 1 1 488.608 3.709 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907036 1071526048 /nfs/dbraw/zinc/52/60/48/1071526048.db2.gz VTDGHGDQERQJND-SFHVURJKSA-N 1 1 466.964 3.581 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001315001667 1071525298 /nfs/dbraw/zinc/52/52/98/1071525298.db2.gz VFPUQKHCNNEBNN-NRFANRHFSA-N 1 1 452.647 3.871 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001313905358 1071521375 /nfs/dbraw/zinc/52/13/75/1071521375.db2.gz WVMVCQBAXYBGPV-HXUWFJFHSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313905600 1071522111 /nfs/dbraw/zinc/52/21/11/1071522111.db2.gz VZZRTNABYBDDDS-LADGPHEKSA-N 1 1 471.646 3.588 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313905987 1071522862 /nfs/dbraw/zinc/52/28/62/1071522862.db2.gz WXMUZMYSRFWEOR-OFNKIYASSA-N 1 1 482.673 3.696 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907233 1071526455 /nfs/dbraw/zinc/52/64/55/1071526455.db2.gz ZVNOYIJNKSMPMJ-URXFXBBRSA-N 1 1 463.573 3.718 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907231 1071526476 /nfs/dbraw/zinc/52/64/76/1071526476.db2.gz ZVNOYIJNKSMPMJ-QPPBQGQZSA-N 1 1 463.573 3.718 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313908663 1071530997 /nfs/dbraw/zinc/53/09/97/1071530997.db2.gz AOJOZYLMDXWJAK-HBMCJLEFSA-N 1 1 460.667 3.525 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313907585 1071528135 /nfs/dbraw/zinc/52/81/35/1071528135.db2.gz IJYPXCHMNSUCIE-SJLPKXTDSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001313909122 1071531689 /nfs/dbraw/zinc/53/16/89/1071531689.db2.gz NNQBSBRKBBQXAV-LJQANCHMSA-N 1 1 476.572 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313909705 1071533177 /nfs/dbraw/zinc/53/31/77/1071533177.db2.gz UCVKFBDJVOEHRF-HQRMLTQVSA-N 1 1 467.536 3.984 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001313911063 1071537073 /nfs/dbraw/zinc/53/70/73/1071537073.db2.gz ZDRSFFGLYYIIIH-IBGZPJMESA-N 1 1 491.478 3.851 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912188 1071539574 /nfs/dbraw/zinc/53/95/74/1071539574.db2.gz UZQABECCFZJJSZ-NQIIRXRSSA-N 1 1 474.675 3.655 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313914076 1071546024 /nfs/dbraw/zinc/54/60/24/1071546024.db2.gz QOKBIJYIIBTJPO-ZEQRLZLVSA-N 1 1 455.647 3.682 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001313913642 1071544299 /nfs/dbraw/zinc/54/42/99/1071544299.db2.gz QHSLWVOWLRTNOV-QFIPXVFZSA-N 1 1 472.653 3.821 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315026137 1071550808 /nfs/dbraw/zinc/55/08/08/1071550808.db2.gz HAMQJOQCDWNWMY-CALCHBBNSA-N 1 1 495.043 3.588 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313916098 1071552017 /nfs/dbraw/zinc/55/20/17/1071552017.db2.gz VJAARFBOZQWTLF-OAQYLSRUSA-N 1 1 489.064 3.867 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313916521 1071553090 /nfs/dbraw/zinc/55/30/90/1071553090.db2.gz YOWKXGWDUDXSAG-QFIPXVFZSA-N 1 1 482.673 3.735 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313916494 1071553120 /nfs/dbraw/zinc/55/31/20/1071553120.db2.gz YFNORJJHPBNZKD-HKUYNNGSSA-N 1 1 477.078 3.765 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919423 1071556740 /nfs/dbraw/zinc/55/67/40/1071556740.db2.gz BGSACBKQZRCZKM-GOSISDBHSA-N 1 1 475.479 3.970 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922453 1071564358 /nfs/dbraw/zinc/56/43/58/1071564358.db2.gz WPSNGPYZHGRCMY-FQEVSTJZSA-N 1 1 456.704 3.822 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CCOc3cccc(C)c3)CC2)CC1 ZINC001313923499 1071567549 /nfs/dbraw/zinc/56/75/49/1071567549.db2.gz NVGCSOFEYNQQBV-UHFFFAOYSA-N 1 1 496.700 3.635 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924448 1071570886 /nfs/dbraw/zinc/57/08/86/1071570886.db2.gz GBWGMRWYJCCZAI-QUCCMNQESA-N 1 1 480.579 3.758 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925032 1071571972 /nfs/dbraw/zinc/57/19/72/1071571972.db2.gz LGFHCPBYFVAGDV-JOCHJYFZSA-N 1 1 477.657 3.790 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925340 1071572866 /nfs/dbraw/zinc/57/28/66/1071572866.db2.gz OMADTJQEKZWSMR-OAQYLSRUSA-N 1 1 454.663 3.673 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926559 1071576891 /nfs/dbraw/zinc/57/68/91/1071576891.db2.gz DICBRDGYKYOVAY-SFHLNBCPSA-N 1 1 476.616 3.674 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927660 1071581218 /nfs/dbraw/zinc/58/12/18/1071581218.db2.gz JNTNQNVIOALBMV-JOCHJYFZSA-N 1 1 495.716 3.748 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927606 1071580704 /nfs/dbraw/zinc/58/07/04/1071580704.db2.gz KQTFLJCCFVLEDR-JIPXPUAJSA-N 1 1 486.680 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927620 1071580782 /nfs/dbraw/zinc/58/07/82/1071580782.db2.gz KSHJRSMNZIVUJK-NZQKXSOJSA-N 1 1 475.081 3.734 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928043 1071582693 /nfs/dbraw/zinc/58/26/93/1071582693.db2.gz NCDYPFZUKPLGOB-VXKWHMMOSA-N 1 1 482.652 3.502 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313928634 1071584497 /nfs/dbraw/zinc/58/44/97/1071584497.db2.gz CBXBKGTTZOSEIY-UXHICEINSA-N 1 1 475.609 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313929842 1071588226 /nfs/dbraw/zinc/58/82/26/1071588226.db2.gz AMNUAVGDDSAGQC-HXUWFJFHSA-N 1 1 494.640 3.810 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313930361 1071589356 /nfs/dbraw/zinc/58/93/56/1071589356.db2.gz LZABFIKSFXXSPM-RBUKOAKNSA-N 1 1 472.609 3.537 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313930447 1071589603 /nfs/dbraw/zinc/58/96/03/1071589603.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001313930447 1071589613 /nfs/dbraw/zinc/58/96/13/1071589613.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001313930447 1071589619 /nfs/dbraw/zinc/58/96/19/1071589619.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313930499 1071590333 /nfs/dbraw/zinc/59/03/33/1071590333.db2.gz DRDSJRZAQHTOFB-HNNXBMFYSA-N 1 1 495.491 3.558 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591043 /nfs/dbraw/zinc/59/10/43/1071591043.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591048 /nfs/dbraw/zinc/59/10/48/1071591048.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C[C@H]1C ZINC001313931680 1071593432 /nfs/dbraw/zinc/59/34/32/1071593432.db2.gz SDEQTRXMLLUGLL-HXOBKFHXSA-N 1 1 477.078 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C[C@@H]1C ZINC001313931681 1071593552 /nfs/dbraw/zinc/59/35/52/1071593552.db2.gz SDEQTRXMLLUGLL-SBUREZEXSA-N 1 1 477.078 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313932497 1071595599 /nfs/dbraw/zinc/59/55/99/1071595599.db2.gz IARWGQNKOJSHNG-LJQANCHMSA-N 1 1 473.572 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)C[C@@H]1C ZINC001313933591 1071598438 /nfs/dbraw/zinc/59/84/38/1071598438.db2.gz PAVNCHOZRONOQE-ROUUACIJSA-N 1 1 463.717 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@H]1C ZINC001313933900 1071599826 /nfs/dbraw/zinc/59/98/26/1071599826.db2.gz OKKSKXGTNXLQDU-UZUQRXQVSA-N 1 1 466.001 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2)C[C@H]1C ZINC001313935072 1071604219 /nfs/dbraw/zinc/60/42/19/1071604219.db2.gz WCVGDHODVJVWCE-MRXNPFEDSA-N 1 1 473.419 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313935048 1071604376 /nfs/dbraw/zinc/60/43/76/1071604376.db2.gz VLGHHJCOHULDEL-OAHLLOKOSA-N 1 1 466.399 3.682 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)COC)C[C@@H]1C ZINC001313935410 1071605539 /nfs/dbraw/zinc/60/55/39/1071605539.db2.gz ZDVBOIQCOWKLHJ-HOTGVXAUSA-N 1 1 466.424 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313936898 1071609762 /nfs/dbraw/zinc/60/97/62/1071609762.db2.gz QUHFMIHSRRXHEI-INIZCTEOSA-N 1 1 489.393 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@H]1C ZINC001313935685 1071606757 /nfs/dbraw/zinc/60/67/57/1071606757.db2.gz YZRRTKPMQRSVHW-CRAIPNDOSA-N 1 1 470.515 3.568 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607339 /nfs/dbraw/zinc/60/73/39/1071607339.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 1 1 454.663 3.996 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607344 /nfs/dbraw/zinc/60/73/44/1071607344.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 1 1 454.663 3.996 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](SC)C(C)(C)C)C[C@@H]1C ZINC001313937302 1071610720 /nfs/dbraw/zinc/61/07/20/1071610720.db2.gz LBJTVVIDKUMKEE-PZJWPPBQSA-N 1 1 486.734 3.760 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001313937927 1071611583 /nfs/dbraw/zinc/61/15/83/1071611583.db2.gz XNTDHLWMOWUGTG-LJQANCHMSA-N 1 1 484.048 3.513 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615502 /nfs/dbraw/zinc/61/55/02/1071615502.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615507 /nfs/dbraw/zinc/61/55/07/1071615507.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313938715 1071612058 /nfs/dbraw/zinc/61/20/58/1071612058.db2.gz WYLYMDXULZCITE-GJZGRUSLSA-N 1 1 454.438 3.575 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313939421 1071613447 /nfs/dbraw/zinc/61/34/47/1071613447.db2.gz DKQJFIQXEGBWGD-HNAYVOBHSA-N 1 1 450.509 3.924 20 0 JHADMO CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)C[C@@H]1C ZINC001313940331 1071614735 /nfs/dbraw/zinc/61/47/35/1071614735.db2.gz VWAPOYUKCMTORL-UGKGYDQZSA-N 1 1 455.676 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313941319 1071617085 /nfs/dbraw/zinc/61/70/85/1071617085.db2.gz BJFSMDFGAWFLDI-HSZRJFAPSA-N 1 1 498.716 3.930 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC001313942010 1071618814 /nfs/dbraw/zinc/61/88/14/1071618814.db2.gz GPEHOJWKSBBWST-AWEZNQCLSA-N 1 1 498.600 3.929 20 0 JHADMO CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942564 1071620764 /nfs/dbraw/zinc/62/07/64/1071620764.db2.gz KAAGIYXPJBITBY-PKTZIBPZSA-N 1 1 454.663 3.552 20 0 JHADMO 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 1071620821 /nfs/dbraw/zinc/62/08/21/1071620821.db2.gz KHQYNDDHCAMNLJ-SESVDKBCSA-N 1 1 484.645 3.528 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943345 1071622702 /nfs/dbraw/zinc/62/27/02/1071622702.db2.gz REFLGTHJXPGUJE-JOCHJYFZSA-N 1 1 460.711 3.779 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313943477 1071623338 /nfs/dbraw/zinc/62/33/38/1071623338.db2.gz STGSUYWAMVZXJF-VGSWGCGISA-N 1 1 451.537 3.916 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313943731 1071623858 /nfs/dbraw/zinc/62/38/58/1071623858.db2.gz VDDYOVDOCIAQFL-OAQYLSRUSA-N 1 1 465.646 3.905 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C[C@H]1C ZINC001313944000 1071624397 /nfs/dbraw/zinc/62/43/97/1071624397.db2.gz XXYQJJYFLCTOPK-HSZRJFAPSA-N 1 1 482.673 3.797 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945323 1071626094 /nfs/dbraw/zinc/62/60/94/1071626094.db2.gz MZNMTRXKARQDFP-URXFXBBRSA-N 1 1 468.690 3.741 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946404 1071628582 /nfs/dbraw/zinc/62/85/82/1071628582.db2.gz BQDMYGOVPRKJHF-LADGPHEKSA-N 1 1 468.690 3.895 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313946574 1071629206 /nfs/dbraw/zinc/62/92/06/1071629206.db2.gz BNDVKDFEVAIINV-FQEVSTJZSA-N 1 1 494.606 3.970 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629241 /nfs/dbraw/zinc/62/92/41/1071629241.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 1 1 468.690 3.776 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629244 /nfs/dbraw/zinc/62/92/44/1071629244.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 1 1 468.690 3.776 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001313947006 1071630366 /nfs/dbraw/zinc/63/03/66/1071630366.db2.gz UPRAOALRLNOBOJ-KRWDZBQOSA-N 1 1 490.425 3.588 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313947172 1071631201 /nfs/dbraw/zinc/63/12/01/1071631201.db2.gz FZQUPBOZMVEJAA-PWRODBHTSA-N 1 1 478.751 3.555 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001313947416 1071631468 /nfs/dbraw/zinc/63/14/68/1071631468.db2.gz HARVFOLXZNAHPN-HOYKHHGWSA-N 1 1 459.660 3.925 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947266 1071631544 /nfs/dbraw/zinc/63/15/44/1071631544.db2.gz KCUGAJNKKCPENX-LJQANCHMSA-N 1 1 479.595 3.545 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948491 1071633976 /nfs/dbraw/zinc/63/39/76/1071633976.db2.gz QVTICFGOPMLSEB-VWNXMTODSA-N 1 1 467.706 3.608 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C[C@@H]1C ZINC001313948949 1071635206 /nfs/dbraw/zinc/63/52/06/1071635206.db2.gz MPQMZPMSVVZKTD-KIVTUJJHSA-N 1 1 457.619 3.744 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313949102 1071635257 /nfs/dbraw/zinc/63/52/57/1071635257.db2.gz HQLGZCFDTFUJAJ-AQNXPRMDSA-N 1 1 476.616 3.912 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636359 /nfs/dbraw/zinc/63/63/59/1071636359.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 1 1 460.711 3.992 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636362 /nfs/dbraw/zinc/63/63/62/1071636362.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 1 1 460.711 3.992 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636442 /nfs/dbraw/zinc/63/64/42/1071636442.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 1 1 460.711 3.992 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636446 /nfs/dbraw/zinc/63/64/46/1071636446.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 1 1 460.711 3.992 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950693 1071638910 /nfs/dbraw/zinc/63/89/10/1071638910.db2.gz PXHZIOFSCDUGLV-PZJWPPBQSA-N 1 1 459.708 3.824 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952693 1071646605 /nfs/dbraw/zinc/64/66/05/1071646605.db2.gz UBUJEXVHFNAAES-QPPBQGQZSA-N 1 1 472.653 3.895 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313953121 1071647604 /nfs/dbraw/zinc/64/76/04/1071647604.db2.gz GTQXYLLYIYZQTD-UHFFFAOYSA-N 1 1 451.663 3.940 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313953502 1071647800 /nfs/dbraw/zinc/64/78/00/1071647800.db2.gz HLSLHGCKVHJKLL-FGZHOGPDSA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313953400 1071648327 /nfs/dbraw/zinc/64/83/27/1071648327.db2.gz KMMATKBIEPXIQQ-HXUWFJFHSA-N 1 1 468.049 3.904 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313953398 1071648449 /nfs/dbraw/zinc/64/84/49/1071648449.db2.gz KMMATKBIEPXIQQ-FQEVSTJZSA-N 1 1 468.049 3.904 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954199 1071650746 /nfs/dbraw/zinc/65/07/46/1071650746.db2.gz AZBHPWJQUFMUJI-LJQANCHMSA-N 1 1 452.638 3.766 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313954588 1071651677 /nfs/dbraw/zinc/65/16/77/1071651677.db2.gz RNKZRLXIFIUIQO-UHFFFAOYSA-N 1 1 481.733 3.919 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2ccccc2C)CC1 ZINC001313954454 1071651794 /nfs/dbraw/zinc/65/17/94/1071651794.db2.gz NSWMEEZIVOFFPZ-JOCHJYFZSA-N 1 1 464.662 3.602 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313954720 1071652489 /nfs/dbraw/zinc/65/24/89/1071652489.db2.gz PECOEJLSHWZRMC-RTWAWAEBSA-N 1 1 475.081 3.877 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313954595 1071652521 /nfs/dbraw/zinc/65/25/21/1071652521.db2.gz RZEVSDMNUHGSQM-NRFANRHFSA-N 1 1 478.607 3.907 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CC2CCCCC2)CC1 ZINC001313955193 1071652853 /nfs/dbraw/zinc/65/28/53/1071652853.db2.gz QHTTXFFXBGJLFM-OAQYLSRUSA-N 1 1 453.679 3.939 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954818 1071652979 /nfs/dbraw/zinc/65/29/79/1071652979.db2.gz PZKOBFWOTYMTSS-HXUWFJFHSA-N 1 1 455.676 3.564 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954966 1071653623 /nfs/dbraw/zinc/65/36/23/1071653623.db2.gz QYWSPRUHSLZUCU-SANMLTNESA-N 1 1 454.663 3.998 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955247 1071654896 /nfs/dbraw/zinc/65/48/96/1071654896.db2.gz QQRNOBUVBKBMDZ-LJQANCHMSA-N 1 1 488.055 3.986 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955395 1071655432 /nfs/dbraw/zinc/65/54/32/1071655432.db2.gz GMWBNFMIQJILHK-HSZRJFAPSA-N 1 1 452.691 3.963 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313956472 1071657837 /nfs/dbraw/zinc/65/78/37/1071657837.db2.gz MQUUZMQMLGMPAZ-YTFSRNRJSA-N 1 1 454.663 3.674 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001313956767 1071658141 /nfs/dbraw/zinc/65/81/41/1071658141.db2.gz MZNHKQATCLAMSS-IBGZPJMESA-N 1 1 460.617 3.591 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001313957109 1071659480 /nfs/dbraw/zinc/65/94/80/1071659480.db2.gz OTBGJMHSZJEXQT-BJKOFHAPSA-N 1 1 452.691 3.963 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957942 1071662400 /nfs/dbraw/zinc/66/24/00/1071662400.db2.gz SNKAWCCNBXMEHO-IPMKNSEASA-N 1 1 458.617 3.775 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313958063 1071663098 /nfs/dbraw/zinc/66/30/98/1071663098.db2.gz OJALEFRUWYPUSI-UHFFFAOYSA-N 1 1 468.646 3.536 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001313958563 1071664120 /nfs/dbraw/zinc/66/41/20/1071664120.db2.gz VACGBKBDMDJFML-GOSISDBHSA-N 1 1 461.452 3.581 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313958485 1071664146 /nfs/dbraw/zinc/66/41/46/1071664146.db2.gz SAIZZBYZNVVCKS-LJQANCHMSA-N 1 1 498.569 3.660 20 0 JHADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)CC1 ZINC001313959709 1071667460 /nfs/dbraw/zinc/66/74/60/1071667460.db2.gz BXGXBYABKDEFGV-UHFFFAOYSA-N 1 1 454.663 3.602 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313959854 1071668185 /nfs/dbraw/zinc/66/81/85/1071668185.db2.gz BPXDVGVARRYESN-VWLOTQADSA-N 1 1 498.716 3.753 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960328 1071669735 /nfs/dbraw/zinc/66/97/35/1071669735.db2.gz IURYOEAQAFYHNL-NHCUHLMSSA-N 1 1 458.626 3.821 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313960330 1071669795 /nfs/dbraw/zinc/66/97/95/1071669795.db2.gz IURYOEAQAFYHNL-SFTDATJTSA-N 1 1 458.626 3.821 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960540 1071669881 /nfs/dbraw/zinc/66/98/81/1071669881.db2.gz KLYVRGDVCFNBNB-UPVQGACJSA-N 1 1 484.689 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313960821 1071671031 /nfs/dbraw/zinc/67/10/31/1071671031.db2.gz NDQZMAKECCUQKT-QHCPKHFHSA-N 1 1 486.680 3.820 20 0 JHADMO 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CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001306080817 1068511583 /nfs/dbraw/zinc/51/15/83/1068511583.db2.gz BPRPGUALBVLJAS-HSZRJFAPSA-N 1 1 463.630 3.681 20 0 JHADMO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+](CC)CCC(F)(F)F ZINC001306082438 1068512125 /nfs/dbraw/zinc/51/21/25/1068512125.db2.gz WSKJSOSQSABVIM-UHFFFAOYSA-N 1 1 455.451 3.504 20 0 JHADMO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001306102355 1068519543 /nfs/dbraw/zinc/51/95/43/1068519543.db2.gz RKJFMPVTKGDYGH-INIZCTEOSA-N 1 1 470.481 3.928 20 0 JHADMO CCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001306111220 1068522175 /nfs/dbraw/zinc/52/21/75/1068522175.db2.gz ZGKYTXFAYBTGTN-JXFKEZNVSA-N 1 1 483.592 3.871 20 0 JHADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001306120722 1068529114 /nfs/dbraw/zinc/52/91/14/1068529114.db2.gz SPPLLBPFJHTFPT-HSZRJFAPSA-N 1 1 470.637 3.777 20 0 JHADMO 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CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CC[N@H+]1CCOC ZINC001306618211 1069301269 /nfs/dbraw/zinc/30/12/69/1069301269.db2.gz DGVUNZUHKBCNRP-VWLOTQADSA-N 1 1 492.668 3.500 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1CCOC ZINC001306619818 1069305208 /nfs/dbraw/zinc/30/52/08/1069305208.db2.gz BVRMZIFNPIBILQ-CEXWTWQISA-N 1 1 481.567 3.966 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1CCOC ZINC001306619820 1069305418 /nfs/dbraw/zinc/30/54/18/1069305418.db2.gz BVRMZIFNPIBILQ-GBESFXJTSA-N 1 1 481.567 3.966 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CC[N@H+]1CCOC ZINC001306620465 1069306683 /nfs/dbraw/zinc/30/66/83/1069306683.db2.gz GVMDQEFHEYUJQN-OAQYLSRUSA-N 1 1 487.048 3.931 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1CCOC ZINC001306620672 1069307249 /nfs/dbraw/zinc/30/72/49/1069307249.db2.gz ZSYKWTOTCBLVPG-JOCHJYFZSA-N 1 1 457.663 3.788 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306620607 1069307574 /nfs/dbraw/zinc/30/75/74/1069307574.db2.gz QVTRCLPZQSCKII-URXFXBBRSA-N 1 1 454.663 3.539 20 0 JHADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164408609 718866857 /nfs/dbraw/zinc/86/68/57/718866857.db2.gz MPJWPRHPLAURQK-UHFFFAOYSA-N 1 1 454.600 3.687 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@H](c4ncn5c4cccc5Br)C3)c2)CC1 ZINC001164416684 718891167 /nfs/dbraw/zinc/89/11/67/718891167.db2.gz FPRUUBVGDGAQNE-LJQANCHMSA-N 1 1 472.387 3.543 20 0 JHADMO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164432062 718979197 /nfs/dbraw/zinc/97/91/97/718979197.db2.gz FLMLPXYZJBYIBF-HOYKHHGWSA-N 1 1 458.628 3.843 20 0 JHADMO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001164450441 719000723 /nfs/dbraw/zinc/00/07/23/719000723.db2.gz WDEDIXBDQHLTRJ-IAGOWNOFSA-N 1 1 479.940 3.570 20 0 JHADMO CS(=O)(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164630481 719114115 /nfs/dbraw/zinc/11/41/15/719114115.db2.gz WSKWYHBTEAZPCU-WMZOPIPTSA-N 1 1 455.958 3.784 20 0 JHADMO CS(=O)(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164630481 719114121 /nfs/dbraw/zinc/11/41/21/719114121.db2.gz WSKWYHBTEAZPCU-WMZOPIPTSA-N 1 1 455.958 3.784 20 0 JHADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC2)C1=O ZINC001164640844 719276698 /nfs/dbraw/zinc/27/66/98/719276698.db2.gz QJUJPTJNGNCPHJ-UHFFFAOYSA-N 1 1 480.012 3.710 20 0 JHADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC2)C1=O ZINC001164640844 719276700 /nfs/dbraw/zinc/27/67/00/719276700.db2.gz QJUJPTJNGNCPHJ-UHFFFAOYSA-N 1 1 480.012 3.710 20 0 JHADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C[C@H]3O2)n1 ZINC001164655395 719300575 /nfs/dbraw/zinc/30/05/75/719300575.db2.gz UAKKYIMQVIWMQF-OKZBNKHCSA-N 1 1 454.600 3.952 20 0 JHADMO 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/nfs/dbraw/zinc/81/38/92/719813892.db2.gz UPWSKUQAOHZDMN-UHFFFAOYSA-N 1 1 453.950 3.903 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)CC3)cs1 ZINC001164693102 719813893 /nfs/dbraw/zinc/81/38/93/719813893.db2.gz UPWSKUQAOHZDMN-UHFFFAOYSA-N 1 1 453.950 3.903 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC001164703139 719867933 /nfs/dbraw/zinc/86/79/33/719867933.db2.gz JXJKYKVKRQBDSM-CJAUYULYSA-N 1 1 482.606 3.600 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC001164703153 719868367 /nfs/dbraw/zinc/86/83/67/719868367.db2.gz JXVMCCDHVVDNFU-FQRUVTKNSA-N 1 1 464.541 3.669 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC001164703162 719868463 /nfs/dbraw/zinc/86/84/63/719868463.db2.gz JXVMCCDHVVDNFU-RXFWQSSRSA-N 1 1 464.541 3.669 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695331 719891550 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PNTGWWGFZJNNFP-QFIPXVFZSA-N 1 1 452.599 3.778 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164712212 720128950 /nfs/dbraw/zinc/12/89/50/720128950.db2.gz KWSZQXBKGWZMOQ-LJQANCHMSA-N 1 1 451.546 3.680 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164711126 720132971 /nfs/dbraw/zinc/13/29/71/720132971.db2.gz FPAOUPBTVGYQFY-BMOUEYTDSA-N 1 1 475.593 3.652 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)[nH]cc1-2 ZINC001164710441 720136853 /nfs/dbraw/zinc/13/68/53/720136853.db2.gz BMWVLGYLDSDLRD-HXUWFJFHSA-N 1 1 463.582 3.642 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)[nH]cc1-2 ZINC001164710441 720136859 /nfs/dbraw/zinc/13/68/59/720136859.db2.gz BMWVLGYLDSDLRD-HXUWFJFHSA-N 1 1 463.582 3.642 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H](C)C3)ncn1)CC2 ZINC001164710807 720150686 /nfs/dbraw/zinc/15/06/86/720150686.db2.gz CVJMIDYXZHMQEW-JTHBVZDNSA-N 1 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Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164768447 721223306 /nfs/dbraw/zinc/22/33/06/721223306.db2.gz LBAZBXVWUBWKLL-MOPGFXCFSA-N 1 1 486.649 3.719 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164767667 721226419 /nfs/dbraw/zinc/22/64/19/721226419.db2.gz KJAXZQJDJPOQQL-DNQXCXABSA-N 1 1 457.626 3.826 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164764504 721241937 /nfs/dbraw/zinc/24/19/37/721241937.db2.gz OQFJZAYJQCQELY-ROUUACIJSA-N 1 1 454.962 3.623 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)C2)cc1 ZINC001164879769 721247486 /nfs/dbraw/zinc/24/74/86/721247486.db2.gz YRNURQJPLPQRCI-HRNNMHKYSA-N 1 1 457.578 3.635 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)C2)cc1 ZINC001164879769 721247509 /nfs/dbraw/zinc/24/75/09/721247509.db2.gz YRNURQJPLPQRCI-HRNNMHKYSA-N 1 1 457.578 3.635 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)NCc5ccco5)[C@H]4C3)c2c1C ZINC001164760726 721256260 /nfs/dbraw/zinc/25/62/60/721256260.db2.gz GOMZEVNFTXWCET-GIVPXCGWSA-N 1 1 495.649 3.512 20 0 JHADMO c1ncn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@@H](COc1cccnc1)C2 ZINC001164768455 721273033 /nfs/dbraw/zinc/27/30/33/721273033.db2.gz USEPRVQUQQDHIH-HSZRJFAPSA-N 1 1 466.589 3.947 20 0 JHADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874418 721278588 /nfs/dbraw/zinc/27/85/88/721278588.db2.gz RDZKPFIDNXKSBW-UHFFFAOYSA-N 1 1 481.424 3.557 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)C1 ZINC001164875666 721284362 /nfs/dbraw/zinc/28/43/62/721284362.db2.gz ZAVCCQBJJSRFLZ-UHFFFAOYSA-N 1 1 483.613 3.504 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164779170 721324538 /nfs/dbraw/zinc/32/45/38/721324538.db2.gz VBIPDEOXEZDNOQ-XMMPIXPASA-N 1 1 474.609 3.816 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164777968 721334722 /nfs/dbraw/zinc/33/47/22/721334722.db2.gz RLHPSJCWLJQSMA-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164777968 721334724 /nfs/dbraw/zinc/33/47/24/721334724.db2.gz RLHPSJCWLJQSMA-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164778283 721344022 /nfs/dbraw/zinc/34/40/22/721344022.db2.gz LYTVPOZTIJIVGM-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164778283 721344023 /nfs/dbraw/zinc/34/40/23/721344023.db2.gz LYTVPOZTIJIVGM-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164886416 721344344 /nfs/dbraw/zinc/34/43/44/721344344.db2.gz SFGUZOSDORUTQE-IBVKSMDESA-N 1 1 483.682 3.806 20 0 JHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779765 721354486 /nfs/dbraw/zinc/35/44/86/721354486.db2.gz VXSSAAGHSPTXRU-JOCHJYFZSA-N 1 1 498.411 3.684 20 0 JHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779765 721354488 /nfs/dbraw/zinc/35/44/88/721354488.db2.gz VXSSAAGHSPTXRU-JOCHJYFZSA-N 1 1 498.411 3.684 20 0 JHADMO CCc1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164784308 721363460 /nfs/dbraw/zinc/36/34/60/721363460.db2.gz RGWOKYCGHOGYGP-QHCPKHFHSA-N 1 1 458.994 3.898 20 0 JHADMO COC(=O)C[C@@H](c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781313 721364117 /nfs/dbraw/zinc/36/41/17/721364117.db2.gz ISAXMUCNQBKOJD-YIXXDRMTSA-N 1 1 482.625 3.862 20 0 JHADMO COc1ccc(-c2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164784023 721367576 /nfs/dbraw/zinc/36/75/76/721367576.db2.gz QEYMDZGDZLSFGG-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccc(-c2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164784023 721367579 /nfs/dbraw/zinc/36/75/79/721367579.db2.gz QEYMDZGDZLSFGG-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164783387 721398170 /nfs/dbraw/zinc/39/81/70/721398170.db2.gz HUXQLANPRZYOAQ-KDURUIRLSA-N 1 1 453.999 3.690 20 0 JHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164783387 721398173 /nfs/dbraw/zinc/39/81/73/721398173.db2.gz HUXQLANPRZYOAQ-KDURUIRLSA-N 1 1 453.999 3.690 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897471 721446543 /nfs/dbraw/zinc/44/65/43/721446543.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 1 1 455.691 3.784 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897471 721446546 /nfs/dbraw/zinc/44/65/46/721446546.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 1 1 455.691 3.784 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c(F)ccc(F)c45)C3)O2)CC1 ZINC001164884883 721451807 /nfs/dbraw/zinc/45/18/07/721451807.db2.gz BQVMZUJRACZBHE-QMHKHESXSA-N 1 1 450.961 3.932 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164790309 721452253 /nfs/dbraw/zinc/45/22/53/721452253.db2.gz YBCZZDCISIZTET-RUZDIDTESA-N 1 1 492.664 3.746 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC(C)(C)C)ccn1)CC2 ZINC001164787617 721453281 /nfs/dbraw/zinc/45/32/81/721453281.db2.gz OVUPDFSGLFLOJI-QFIPXVFZSA-N 1 1 459.631 3.771 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885558 721453292 /nfs/dbraw/zinc/45/32/92/721453292.db2.gz FOEJZIVMXTZQOR-JTSKRJEESA-N 1 1 454.993 3.534 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164789391 721454120 /nfs/dbraw/zinc/45/41/20/721454120.db2.gz VHHZXTUXUYKGAX-DEOSSOPVSA-N 1 1 466.626 3.790 20 0 JHADMO CCOc1ccc2ncnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2c1 ZINC001164784938 721460847 /nfs/dbraw/zinc/46/08/47/721460847.db2.gz KWIDWXKKFQPVOO-OAQYLSRUSA-N 1 1 454.615 3.762 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164789342 721462068 /nfs/dbraw/zinc/46/20/68/721462068.db2.gz XCRYIYLMANSUDJ-DEOSSOPVSA-N 1 1 466.626 3.790 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2s1 ZINC001164785814 721463045 /nfs/dbraw/zinc/46/30/45/721463045.db2.gz NRQSHRIQQGQMSQ-IBGZPJMESA-N 1 1 488.654 3.602 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164788014 721466708 /nfs/dbraw/zinc/46/67/08/721466708.db2.gz HPONAGYFFIDMGL-DEOSSOPVSA-N 1 1 484.685 3.688 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164787967 721467863 /nfs/dbraw/zinc/46/78/63/721467863.db2.gz HBKSKXHTLWMTSO-QFIPXVFZSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164786420 721470761 /nfs/dbraw/zinc/47/07/61/721470761.db2.gz BEBGDJXCNBPYJA-QFIPXVFZSA-N 1 1 467.614 3.743 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4nnc(CNc5cccnc5)c4C3)c2c1C ZINC001164791301 721475038 /nfs/dbraw/zinc/47/50/38/721475038.db2.gz WRZXYGYKBQJWFG-UHFFFAOYSA-N 1 1 489.653 3.913 20 0 JHADMO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164899009 721488897 /nfs/dbraw/zinc/48/88/97/721488897.db2.gz XTQHGFOTAOUQAL-QHCPKHFHSA-N 1 1 460.622 3.684 20 0 JHADMO CNC(=O)N[C@@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)c2ccc(C)cc21 ZINC001164898199 721493059 /nfs/dbraw/zinc/49/30/59/721493059.db2.gz GAUFHPOUBDNNIB-XMMPIXPASA-N 1 1 463.626 3.775 20 0 JHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)n1 ZINC001164901173 721494525 /nfs/dbraw/zinc/49/45/25/721494525.db2.gz TTXPJRGARBXKPO-SLFFLAALSA-N 1 1 485.061 3.553 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164900558 721509892 /nfs/dbraw/zinc/50/98/92/721509892.db2.gz SKZVQFSVQMAJOM-AZUAARDMSA-N 1 1 475.524 3.540 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164900569 721510126 /nfs/dbraw/zinc/51/01/26/721510126.db2.gz SKZVQFSVQMAJOM-UYAOXDASSA-N 1 1 475.524 3.540 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900008 721515726 /nfs/dbraw/zinc/51/57/26/721515726.db2.gz NAPGALVHAQPGNN-AEFFLSMTSA-N 1 1 456.905 3.551 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905838 721527781 /nfs/dbraw/zinc/52/77/81/721527781.db2.gz IXBUGUYMIRZCFV-GOEBONIOSA-N 1 1 455.864 3.548 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805545 721530721 /nfs/dbraw/zinc/53/07/21/721530721.db2.gz MGNCFASIPDHHBW-RLFYNMQTSA-N 1 1 455.962 3.660 20 0 JHADMO 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CCCC[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001306689457 1069426607 /nfs/dbraw/zinc/42/66/07/1069426607.db2.gz VYLVWXRXUULUMK-VMODYCNZSA-N 1 1 485.673 3.979 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCOCC2)C1 ZINC001306689445 1069426691 /nfs/dbraw/zinc/42/66/91/1069426691.db2.gz VVARDCQHDGJRQL-UHFFFAOYSA-N 1 1 471.646 3.592 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306689678 1069427260 /nfs/dbraw/zinc/42/72/60/1069427260.db2.gz XYVWQLWLRZJRHJ-UHFFFAOYSA-N 1 1 477.579 3.766 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+](C)C1CCCC1 ZINC001306692386 1069429594 /nfs/dbraw/zinc/42/95/94/1069429594.db2.gz ICDQHTMZGOKUKV-UHFFFAOYSA-N 1 1 451.619 3.693 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001306692629 1069429846 /nfs/dbraw/zinc/42/98/46/1069429846.db2.gz OITOVKNCWXRMML-LJQANCHMSA-N 1 1 451.619 3.550 20 0 JHADMO CCCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001306694584 1069431501 /nfs/dbraw/zinc/43/15/01/1069431501.db2.gz JBNQOJZPSYPXJB-LJQANCHMSA-N 1 1 452.644 3.553 20 0 JHADMO CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306696990 1069433139 /nfs/dbraw/zinc/43/31/39/1069433139.db2.gz ZNVVRYKIMDGENQ-RBUKOAKNSA-N 1 1 465.689 3.705 20 0 JHADMO CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001306701570 1069436699 /nfs/dbraw/zinc/43/66/99/1069436699.db2.gz SIVQEBMUJUTLIG-WIYYLYMNSA-N 1 1 475.037 3.614 20 0 JHADMO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001311578168 1069446931 /nfs/dbraw/zinc/44/69/31/1069446931.db2.gz LISGRKHJTNBEMV-RSXGOPAZSA-N 1 1 456.590 3.834 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001306721492 1069457899 /nfs/dbraw/zinc/45/78/99/1069457899.db2.gz AGBFXHTUTRBXBA-QFIPXVFZSA-N 1 1 459.683 3.782 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001306721574 1069458424 /nfs/dbraw/zinc/45/84/24/1069458424.db2.gz BTVPBJIMXPBKCZ-YCAMKHIRSA-N 1 1 460.711 3.993 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306721829 1069459063 /nfs/dbraw/zinc/45/90/63/1069459063.db2.gz FMKSLOJXAKFGAH-VQTJNVASSA-N 1 1 495.093 3.662 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722223 1069459706 /nfs/dbraw/zinc/45/97/06/1069459706.db2.gz IYJDZEZXTAJNQL-IFMALSPDSA-N 1 1 486.636 3.880 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001306722747 1069461606 /nfs/dbraw/zinc/46/16/06/1069461606.db2.gz NQOOIQXUTLAMTE-JOCHJYFZSA-N 1 1 489.064 3.548 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306722412 1069460309 /nfs/dbraw/zinc/46/03/09/1069460309.db2.gz KYDZHKCYOAGISK-FUHWJXTLSA-N 1 1 494.482 3.509 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306722675 1069461022 /nfs/dbraw/zinc/46/10/22/1069461022.db2.gz KBWZEYAOGZAGPY-FCHUYYIVSA-N 1 1 452.647 4.000 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001306722946 1069462274 /nfs/dbraw/zinc/46/22/74/1069462274.db2.gz PAYKEBQHWMKSPZ-XZOQPEGZSA-N 1 1 486.636 3.788 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001306723508 1069463601 /nfs/dbraw/zinc/46/36/01/1069463601.db2.gz SRXINPPTCOBOMW-SLFFLAALSA-N 1 1 465.664 3.759 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306724037 1069464761 /nfs/dbraw/zinc/46/47/61/1069464761.db2.gz XKBQIQCEZYCSKT-KRWDZBQOSA-N 1 1 454.541 3.821 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001306725029 1069466410 /nfs/dbraw/zinc/46/64/10/1069466410.db2.gz BFFPVIXTHRPCAL-NJDAHSKKSA-N 1 1 465.708 3.707 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCCC)C1 ZINC001306722841 1069461859 /nfs/dbraw/zinc/46/18/59/1069461859.db2.gz LRNZVOUXYKSFNN-LEWJYISDSA-N 1 1 455.651 3.670 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306725709 1069467158 /nfs/dbraw/zinc/46/71/58/1069467158.db2.gz GUDNFUDNOSXHRB-BHIFYINESA-N 1 1 490.693 3.930 20 0 JHADMO Cn1ccnc1C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC001311620356 1069471048 /nfs/dbraw/zinc/47/10/48/1069471048.db2.gz RJVHBMJWAFSODW-QHCPKHFHSA-N 1 1 453.537 3.946 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306726227 1069468896 /nfs/dbraw/zinc/46/88/96/1069468896.db2.gz KOJKZLLSJRLKCA-DENIHFKCSA-N 1 1 473.065 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306726215 1069468923 /nfs/dbraw/zinc/46/89/23/1069468923.db2.gz KHMLEVSVPHCVMJ-FQEVSTJZSA-N 1 1 488.627 3.894 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)CC1 ZINC001306727031 1069471190 /nfs/dbraw/zinc/47/11/90/1069471190.db2.gz BREQMALGZPISGM-JOCHJYFZSA-N 1 1 473.687 3.697 20 0 JHADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC001311622183 1069472817 /nfs/dbraw/zinc/47/28/17/1069472817.db2.gz JJZSZGYSVANMSH-KPOBHBOGSA-N 1 1 450.352 3.696 20 0 JHADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC001311622183 1069472821 /nfs/dbraw/zinc/47/28/21/1069472821.db2.gz JJZSZGYSVANMSH-KPOBHBOGSA-N 1 1 450.352 3.696 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306728101 1069473780 /nfs/dbraw/zinc/47/37/80/1069473780.db2.gz SLFXIGZHBIKGGD-VQTJNVASSA-N 1 1 466.552 3.686 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727938 1069473804 /nfs/dbraw/zinc/47/38/04/1069473804.db2.gz SHRSJLXREVJMLM-QHAWAJNXSA-N 1 1 476.666 3.540 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306727966 1069473838 /nfs/dbraw/zinc/47/38/38/1069473838.db2.gz SJUWDMRTNDTGSR-ZEQRLZLVSA-N 1 1 481.689 3.660 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 ZINC001306728694 1069476127 /nfs/dbraw/zinc/47/61/27/1069476127.db2.gz VUKGGMQWTUFPFI-FQEVSTJZSA-N 1 1 488.627 3.860 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306730083 1069480162 /nfs/dbraw/zinc/48/01/62/1069480162.db2.gz MCPLQQQQDNIRGU-DEOSSOPVSA-N 1 1 482.673 3.925 20 0 JHADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2)c1 ZINC001311626838 1069476695 /nfs/dbraw/zinc/47/66/95/1069476695.db2.gz SRKRFCWEQZTZKN-IBGZPJMESA-N 1 1 453.587 3.626 20 0 JHADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2)c1 ZINC001311626839 1069476703 /nfs/dbraw/zinc/47/67/03/1069476703.db2.gz SRKRFCWEQZTZKN-LJQANCHMSA-N 1 1 453.587 3.626 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001306731052 1069484494 /nfs/dbraw/zinc/48/44/94/1069484494.db2.gz OJVMHWNEASWXOD-KGWSWXIGSA-N 1 1 465.708 3.987 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001306731112 1069484950 /nfs/dbraw/zinc/48/49/50/1069484950.db2.gz PIDHWGDQBZXAPV-UXHICEINSA-N 1 1 474.675 3.539 20 0 JHADMO 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 1069486408 /nfs/dbraw/zinc/48/64/08/1069486408.db2.gz QRYFUFRDHDAMKI-GXRSIYKFSA-N 1 1 476.710 3.670 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306732336 1069489155 /nfs/dbraw/zinc/48/91/55/1069489155.db2.gz HJTOBTHFFGWGTC-KNAFXUBQSA-N 1 1 495.716 3.906 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306734118 1069495474 /nfs/dbraw/zinc/49/54/74/1069495474.db2.gz ANDOVELCWMDTMR-TZIWHRDSSA-N 1 1 488.080 3.858 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306733503 1069493298 /nfs/dbraw/zinc/49/32/98/1069493298.db2.gz ZBHISBWHMDRODX-BPYKYCOYSA-N 1 1 463.667 3.589 20 0 JHADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)CCO1 ZINC001311663909 1069493420 /nfs/dbraw/zinc/49/34/20/1069493420.db2.gz FJPNPYOBLVSKTK-AWEZNQCLSA-N 1 1 453.427 3.934 20 0 JHADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)CCO1 ZINC001311663909 1069493422 /nfs/dbraw/zinc/49/34/22/1069493422.db2.gz FJPNPYOBLVSKTK-AWEZNQCLSA-N 1 1 453.427 3.934 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306733933 1069495016 /nfs/dbraw/zinc/49/50/16/1069495016.db2.gz OILXDDBKOBEVQB-GMAHTHKFSA-N 1 1 481.689 3.983 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CC=CCC2)C1 ZINC001306738422 1069509689 /nfs/dbraw/zinc/50/96/89/1069509689.db2.gz ZTCRCNRVQNBYSO-FGZHOGPDSA-N 1 1 480.657 3.737 20 0 JHADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711812 1069513939 /nfs/dbraw/zinc/51/39/39/1069513939.db2.gz FQYDSOGEQVPZKN-YGOYIFOWSA-N 1 1 457.018 3.536 20 0 JHADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001311711744 1069513980 /nfs/dbraw/zinc/51/39/80/1069513980.db2.gz ZHISOMRMYRAANJ-GOSISDBHSA-N 1 1 450.917 3.563 20 0 JHADMO CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311716056 1069516674 /nfs/dbraw/zinc/51/66/74/1069516674.db2.gz WKJWZDCVRZZWIT-NHCUHLMSSA-N 1 1 452.628 3.830 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306743655 1069522758 /nfs/dbraw/zinc/52/27/58/1069522758.db2.gz BONJSVCQAQLFAZ-HXUWFJFHSA-N 1 1 470.637 3.949 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC001306743952 1069523684 /nfs/dbraw/zinc/52/36/84/1069523684.db2.gz SUKHQMOTRXAKJT-UHFFFAOYSA-N 1 1 478.645 3.547 20 0 JHADMO 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COc1ccc(Oc2ccc(CCNC(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)cc1 ZINC001312221866 1069791329 /nfs/dbraw/zinc/79/13/29/1069791329.db2.gz FBAUEBIKXKSZEY-DQEYMECFSA-N 1 1 453.583 3.973 20 0 JHADMO CO[C@@H](CNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1Cl ZINC001312236833 1069798410 /nfs/dbraw/zinc/79/84/10/1069798410.db2.gz OIHKZSZKXKZFHL-QPPBQGQZSA-N 1 1 457.018 3.629 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2C[C@H]2CCCCO2)cc1 ZINC001314201987 1069799054 /nfs/dbraw/zinc/79/90/54/1069799054.db2.gz XMWXOOGADBPMKF-MIZPHKNDSA-N 1 1 457.619 3.916 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001307050246 1069799436 /nfs/dbraw/zinc/79/94/36/1069799436.db2.gz BMOFUHOSFNNXJZ-QFIPXVFZSA-N 1 1 452.647 3.849 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001307051036 1069802609 /nfs/dbraw/zinc/80/26/09/1069802609.db2.gz JMPITCISLOTZCT-NRFANRHFSA-N 1 1 489.064 3.947 20 0 JHADMO C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001312249676 1069808136 /nfs/dbraw/zinc/80/81/36/1069808136.db2.gz ABSNFYAZQNVSGL-CYFREDJKSA-N 1 1 452.574 3.527 20 0 JHADMO CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CCN2CCSCC2)CC1 ZINC001307052703 1069809350 /nfs/dbraw/zinc/80/93/50/1069809350.db2.gz FCYIKMLTEINLCA-UHFFFAOYSA-N 1 1 472.703 3.525 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307052925 1069809853 /nfs/dbraw/zinc/80/98/53/1069809853.db2.gz ADODPRDORNCMQV-QZTJIDSGSA-N 1 1 489.462 3.639 20 0 JHADMO 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 1069810732 /nfs/dbraw/zinc/81/07/32/1069810732.db2.gz JAPFUBMPRGUHQZ-OCYFJXFZSA-N 1 1 455.986 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)CC1 ZINC001307053511 1069812678 /nfs/dbraw/zinc/81/26/78/1069812678.db2.gz DCCWSTVNUDHFTG-QFIPXVFZSA-N 1 1 488.702 3.696 20 0 JHADMO CCOc1cccc(CCn2c(CC(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)c1 ZINC001314205242 1069815068 /nfs/dbraw/zinc/81/50/68/1069815068.db2.gz UBWVVGCVHSAAOB-UPVQGACJSA-N 1 1 455.647 3.665 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307054854 1069818124 /nfs/dbraw/zinc/81/81/24/1069818124.db2.gz NPTYRRMNDCKSGV-NLWGTHIKSA-N 1 1 475.037 3.648 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001307055643 1069822470 /nfs/dbraw/zinc/82/24/70/1069822470.db2.gz QVNDKKADOAZKPC-QHCPKHFHSA-N 1 1 484.693 3.579 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307055065 1069819253 /nfs/dbraw/zinc/81/92/53/1069819253.db2.gz ONHBWAPDPUWPJG-XPWALMASSA-N 1 1 482.673 3.966 20 0 JHADMO O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312266487 1069823414 /nfs/dbraw/zinc/82/34/14/1069823414.db2.gz QWOIJNDKQPGDOI-SFTDATJTSA-N 1 1 450.421 3.510 20 0 JHADMO O=C(N[C@@H](CO)c1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312267483 1069824873 /nfs/dbraw/zinc/82/48/73/1069824873.db2.gz YIBJXBNLOPMGMH-FQEVSTJZSA-N 1 1 450.352 3.585 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056020 1069825153 /nfs/dbraw/zinc/82/51/53/1069825153.db2.gz SIIIVJFWYYIGTL-DNQXCXABSA-N 1 1 481.689 3.936 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056345 1069826397 /nfs/dbraw/zinc/82/63/97/1069826397.db2.gz DKNMWNIUNIAILK-DHIUTWEWSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057179 1069831485 /nfs/dbraw/zinc/83/14/85/1069831485.db2.gz HUEQTPUCOYAOGG-HKBOAZHASA-N 1 1 476.666 3.888 20 0 JHADMO O=C(NCCOc1ccc(C(F)(F)F)cn1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001312278881 1069832317 /nfs/dbraw/zinc/83/23/17/1069832317.db2.gz RDUZZXOWZHULPU-IAGOWNOFSA-N 1 1 476.421 3.841 20 0 JHADMO O=C(NCCOc1ccc(C(F)(F)F)cn1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001312278881 1069832344 /nfs/dbraw/zinc/83/23/44/1069832344.db2.gz RDUZZXOWZHULPU-IAGOWNOFSA-N 1 1 476.421 3.841 20 0 JHADMO CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)c1 ZINC001314211412 1069834979 /nfs/dbraw/zinc/83/49/79/1069834979.db2.gz QGHICYJWQXPIHN-FYYLOGMGSA-N 1 1 455.647 3.861 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001307058169 1069835947 /nfs/dbraw/zinc/83/59/47/1069835947.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001307058169 1069835972 /nfs/dbraw/zinc/83/59/72/1069835972.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057782 1069836413 /nfs/dbraw/zinc/83/64/13/1069836413.db2.gz ZKQXSSWCAZHTGF-NZQKXSOJSA-N 1 1 488.702 3.537 20 0 JHADMO CCOc1ccccc1CCn1c(CC(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001314212875 1069838921 /nfs/dbraw/zinc/83/89/21/1069838921.db2.gz QTJQPLCNAOUAMK-UHFFFAOYSA-N 1 1 465.646 3.564 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001307059459 1069844195 /nfs/dbraw/zinc/84/41/95/1069844195.db2.gz WYHFJJDYDJZANU-OFVILXPXSA-N 1 1 457.667 3.617 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(F)(F)F ZINC001307060065 1069847624 /nfs/dbraw/zinc/84/76/24/1069847624.db2.gz ZQEMOQJSOKPLMC-OAHLLOKOSA-N 1 1 458.554 3.533 20 0 JHADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC001312303364 1069848809 /nfs/dbraw/zinc/84/88/09/1069848809.db2.gz JEPBWNJWMQJHIZ-UHFFFAOYSA-N 1 1 452.599 3.971 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060724 1069850723 /nfs/dbraw/zinc/85/07/23/1069850723.db2.gz BUPVHQZHYHRHIN-LJQANCHMSA-N 1 1 472.659 3.562 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060721 1069850850 /nfs/dbraw/zinc/85/08/50/1069850850.db2.gz BUPVHQZHYHRHIN-IBGZPJMESA-N 1 1 472.659 3.562 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001307061380 1069852514 /nfs/dbraw/zinc/85/25/14/1069852514.db2.gz GHRGKTXEMUAZMT-JOCHJYFZSA-N 1 1 461.614 3.648 20 0 JHADMO 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 1069851672 /nfs/dbraw/zinc/85/16/72/1069851672.db2.gz XJODLWBSKZGHCI-OKZBNKHCSA-N 1 1 456.509 3.515 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307061387 1069853131 /nfs/dbraw/zinc/85/31/31/1069853131.db2.gz GITWHXWCBSMQCS-SFTDATJTSA-N 1 1 485.677 3.994 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccccc1CC ZINC001307061659 1069853769 /nfs/dbraw/zinc/85/37/69/1069853769.db2.gz GWXHJBLWUMNIAE-OAQYLSRUSA-N 1 1 476.629 3.637 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307061725 1069854693 /nfs/dbraw/zinc/85/46/93/1069854693.db2.gz IBTYQFQXNDVQSI-NHCUHLMSSA-N 1 1 489.686 3.622 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307061727 1069855107 /nfs/dbraw/zinc/85/51/07/1069855107.db2.gz IBTYQFQXNDVQSI-SFTDATJTSA-N 1 1 489.686 3.622 20 0 JHADMO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001307062321 1069858471 /nfs/dbraw/zinc/85/84/71/1069858471.db2.gz QVUPXJUHHGTYIR-OAQYLSRUSA-N 1 1 468.646 3.523 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[C@H]1CCOC1 ZINC001314219420 1069862139 /nfs/dbraw/zinc/86/21/39/1069862139.db2.gz YQBZENIGZXOYCE-ACRUOGEOSA-N 1 1 457.619 3.601 20 0 JHADMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322037 1069862554 /nfs/dbraw/zinc/86/25/54/1069862554.db2.gz VHXSXGHPIUOBOH-NBGIEHNGSA-N 1 1 454.590 3.650 20 0 JHADMO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+](C)C2CCCC2)CC1=O ZINC001307065203 1069870141 /nfs/dbraw/zinc/87/01/41/1069870141.db2.gz ZOVVWFRCVYNETQ-UHFFFAOYSA-N 1 1 489.064 3.930 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066711 1069875588 /nfs/dbraw/zinc/87/55/88/1069875588.db2.gz JSBVFWCLAWKOPO-RTWAWAEBSA-N 1 1 478.682 3.772 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC[N@@H+]1CC=CCC1 ZINC001314222126 1069874780 /nfs/dbraw/zinc/87/47/80/1069874780.db2.gz JTEIFLVEMVKGQQ-RUZDIDTESA-N 1 1 455.603 3.523 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001307068519 1069879863 /nfs/dbraw/zinc/87/98/63/1069879863.db2.gz PMWUCBWDQKKCFE-CQOQZXRMSA-N 1 1 471.646 3.670 20 0 JHADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCC(O)(c2ccccc2)CC1 ZINC001312351242 1069880022 /nfs/dbraw/zinc/88/00/22/1069880022.db2.gz ORNCPNNCXHHGIQ-UHFFFAOYSA-N 1 1 457.018 3.592 20 0 JHADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H](Cc1ccccc1)c1ncco1 ZINC001312347847 1069878258 /nfs/dbraw/zinc/87/82/58/1069878258.db2.gz BULTZOQJMKYCQY-QFIPXVFZSA-N 1 1 453.974 3.733 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314225740 1069892207 /nfs/dbraw/zinc/89/22/07/1069892207.db2.gz MNMSQZYWMOLAPN-YSFYHYPLSA-N 1 1 471.646 3.990 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H]1OCCC1(C)C ZINC001314226432 1069896494 /nfs/dbraw/zinc/89/64/94/1069896494.db2.gz UDKFQCHDFCRSCH-UGKGYDQZSA-N 1 1 457.619 3.601 20 0 JHADMO O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001312369853 1069892757 /nfs/dbraw/zinc/89/27/57/1069892757.db2.gz NFMOIJHXQSNCFS-CTNGQTDRSA-N 1 1 465.381 3.888 20 0 JHADMO CCOC(=O)c1cc(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)on1 ZINC001312370929 1069893562 /nfs/dbraw/zinc/89/35/62/1069893562.db2.gz QDPZCYSXRPTFGN-UHFFFAOYSA-N 1 1 455.342 3.622 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001314226858 1069898980 /nfs/dbraw/zinc/89/89/80/1069898980.db2.gz IVOLAWFPRXJPSM-JTHBVZDNSA-N 1 1 498.672 3.577 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCCOCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314227264 1069901304 /nfs/dbraw/zinc/90/13/04/1069901304.db2.gz LKAORUUXAASKIF-JOCHJYFZSA-N 1 1 471.646 3.851 20 0 JHADMO 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 1069904819 /nfs/dbraw/zinc/90/48/19/1069904819.db2.gz HTYIYOQGFWGKOD-VDGAXYAQSA-N 1 1 454.537 3.711 20 0 JHADMO FC(F)(F)c1ncnc(N2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1Br ZINC001307217363 1069908076 /nfs/dbraw/zinc/90/80/76/1069908076.db2.gz JHQNXNLZQHGCON-UHFFFAOYSA-N 1 1 459.310 3.987 20 0 JHADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312414016 1069918960 /nfs/dbraw/zinc/91/89/60/1069918960.db2.gz INYYVPZINPJDJK-GUYCJALGSA-N 1 1 459.875 3.913 20 0 JHADMO CCOc1ncccc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001314231718 1069919062 /nfs/dbraw/zinc/91/90/62/1069919062.db2.gz KYIDQSSNNPDJSA-GOSISDBHSA-N 1 1 471.005 3.597 20 0 JHADMO CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001314232242 1069921276 /nfs/dbraw/zinc/92/12/76/1069921276.db2.gz WAAQXURNWPEVSB-RTBURBONSA-N 1 1 450.587 3.715 20 0 JHADMO C[C@H](Sc1nnc(-c2ccccc2)s1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307299926 1069931869 /nfs/dbraw/zinc/93/18/69/1069931869.db2.gz BTTLPALAPNXDCB-KRWDZBQOSA-N 1 1 454.621 3.834 20 0 JHADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312440954 1069939080 /nfs/dbraw/zinc/93/90/80/1069939080.db2.gz AVMHXXLFQMYDCZ-QFIPXVFZSA-N 1 1 458.965 3.810 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455444 1069949869 /nfs/dbraw/zinc/94/98/69/1069949869.db2.gz INWCFYHHULHVST-TYCQWZJGSA-N 1 1 451.489 3.828 20 0 JHADMO 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COc1ccc(NC(=O)c2nnc(CN3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)s2)cc1 ZINC001307589347 1070068858 /nfs/dbraw/zinc/06/88/58/1070068858.db2.gz MZCVKGUZYLCELE-QZTJIDSGSA-N 1 1 451.596 3.894 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)s2)cc1 ZINC001307589347 1070068869 /nfs/dbraw/zinc/06/88/69/1070068869.db2.gz MZCVKGUZYLCELE-QZTJIDSGSA-N 1 1 451.596 3.894 20 0 JHADMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC001307604868 1070078295 /nfs/dbraw/zinc/07/82/95/1070078295.db2.gz VOMOTJRJMIKGBI-CTUHWIOQSA-N 1 1 455.624 3.956 20 0 JHADMO C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)c1nnnn1C1CC1 ZINC001312681015 1070079146 /nfs/dbraw/zinc/07/91/46/1070079146.db2.gz IRRXLUFMGJQXKU-BLLLJJGKSA-N 1 1 459.904 3.647 20 0 JHADMO C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)c1nnnn1C1CC1 ZINC001312681015 1070079165 /nfs/dbraw/zinc/07/91/65/1070079165.db2.gz IRRXLUFMGJQXKU-BLLLJJGKSA-N 1 1 459.904 3.647 20 0 JHADMO CCOCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1CCn1cc[nH+]c1C ZINC001314295878 1070079322 /nfs/dbraw/zinc/07/93/22/1070079322.db2.gz FZFLIBZEVXACTD-GOSISDBHSA-N 1 1 465.371 3.929 20 0 JHADMO CCOCc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC001314293865 1070076144 /nfs/dbraw/zinc/07/61/44/1070076144.db2.gz NAHQERIMTVLVES-IBGZPJMESA-N 1 1 453.587 3.588 20 0 JHADMO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CC[C@H](C(C)(C)C)C3)C2=O)cc1 ZINC001307603005 1070077897 /nfs/dbraw/zinc/07/78/97/1070077897.db2.gz LOJFLCSHNWQIFW-HJHGFDQJSA-N 1 1 459.612 3.606 20 0 JHADMO COC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(F)c(F)c1 ZINC001307612560 1070081412 /nfs/dbraw/zinc/08/14/12/1070081412.db2.gz JHJMBSBPJKBBLD-AEFFLSMTSA-N 1 1 457.399 3.548 20 0 JHADMO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314298626 1070082206 /nfs/dbraw/zinc/08/22/06/1070082206.db2.gz QEEHVTCWCJSONR-BWKVVEIFSA-N 1 1 461.676 3.870 20 0 JHADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)C1=O ZINC001307613602 1070082635 /nfs/dbraw/zinc/08/26/35/1070082635.db2.gz PEKRCMUSBMRAHL-YKSBVNFPSA-N 1 1 458.509 3.530 20 0 JHADMO CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314301521 1070085687 /nfs/dbraw/zinc/08/56/87/1070085687.db2.gz PBYYQEOCKPPFCI-HXUWFJFHSA-N 1 1 474.531 3.987 20 0 JHADMO CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001314303390 1070089028 /nfs/dbraw/zinc/08/90/28/1070089028.db2.gz RNJRZWDDAUMMMQ-HXAGEGRHSA-N 1 1 467.614 3.805 20 0 JHADMO CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001314304522 1070090634 /nfs/dbraw/zinc/09/06/34/1070090634.db2.gz YTNYRBFVTRGELB-LUGTWXOSSA-N 1 1 455.647 3.977 20 0 JHADMO CCOCc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001314305647 1070092932 /nfs/dbraw/zinc/09/29/32/1070092932.db2.gz ZJMMGCIGNKXALV-AWEZNQCLSA-N 1 1 465.421 3.734 20 0 JHADMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648952 1070100986 /nfs/dbraw/zinc/10/09/86/1070100986.db2.gz CVZPKKUHMXLDJC-SJLPKXTDSA-N 1 1 459.509 3.827 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001312749751 1070102560 /nfs/dbraw/zinc/10/25/60/1070102560.db2.gz YQGSYDDFXFTQHH-CLOONOSVSA-N 1 1 458.002 3.966 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001312749751 1070102569 /nfs/dbraw/zinc/10/25/69/1070102569.db2.gz YQGSYDDFXFTQHH-CLOONOSVSA-N 1 1 458.002 3.966 20 0 JHADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001307651444 1070102644 /nfs/dbraw/zinc/10/26/44/1070102644.db2.gz NBNOSOFIGRTVAH-HSZRJFAPSA-N 1 1 452.580 3.928 20 0 JHADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001307651444 1070102648 /nfs/dbraw/zinc/10/26/48/1070102648.db2.gz NBNOSOFIGRTVAH-HSZRJFAPSA-N 1 1 452.580 3.928 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001312749758 1070102728 /nfs/dbraw/zinc/10/27/28/1070102728.db2.gz YQGSYDDFXFTQHH-DFBJGRDBSA-N 1 1 458.002 3.966 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001312749758 1070102736 /nfs/dbraw/zinc/10/27/36/1070102736.db2.gz YQGSYDDFXFTQHH-DFBJGRDBSA-N 1 1 458.002 3.966 20 0 JHADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1 ZINC001307662033 1070109036 /nfs/dbraw/zinc/10/90/36/1070109036.db2.gz NVJINJWKWPGYSP-NHCUHLMSSA-N 1 1 453.612 3.876 20 0 JHADMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1csc(-c3ccc(Br)cc3)n1)CC2 ZINC001307674486 1070117076 /nfs/dbraw/zinc/11/70/76/1070117076.db2.gz LBXWTBVZZMUFNQ-UHFFFAOYSA-N 1 1 450.358 3.857 20 0 JHADMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)C2)cc1 ZINC001307675090 1070117892 /nfs/dbraw/zinc/11/78/92/1070117892.db2.gz KSYAPALBIFBMHZ-JOCHJYFZSA-N 1 1 455.624 3.906 20 0 JHADMO 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 1070133022 /nfs/dbraw/zinc/13/30/22/1070133022.db2.gz DHBAPFJZXZIZCB-NYVOZVTQSA-N 1 1 462.635 3.816 20 0 JHADMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700171 1070134227 /nfs/dbraw/zinc/13/42/27/1070134227.db2.gz ZRPKSFLIGNDYCD-WMZOPIPTSA-N 1 1 453.530 3.893 20 0 JHADMO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704176 1070136022 /nfs/dbraw/zinc/13/60/22/1070136022.db2.gz AZNVUENXIHNXER-XJKSGUPXSA-N 1 1 452.304 3.657 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001312817185 1070139756 /nfs/dbraw/zinc/13/97/56/1070139756.db2.gz SEWRWZXRCGVFCO-YKSBVNFPSA-N 1 1 455.624 3.606 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001312817185 1070139769 /nfs/dbraw/zinc/13/97/69/1070139769.db2.gz SEWRWZXRCGVFCO-YKSBVNFPSA-N 1 1 455.624 3.606 20 0 JHADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)N[C@@H]3COc4c(C)cccc4C3)CC2)c1C ZINC001312817496 1070140718 /nfs/dbraw/zinc/14/07/18/1070140718.db2.gz SPHOBYQCRZAUQT-NRFANRHFSA-N 1 1 452.599 3.625 20 0 JHADMO CC(=O)NCC[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccc(Cl)cc1Cl ZINC001307722258 1070146869 /nfs/dbraw/zinc/14/68/69/1070146869.db2.gz SGMXGRANLRNCMW-UHFFFAOYSA-N 1 1 453.395 3.552 20 0 JHADMO CC(=O)NCC[N@@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccc(Cl)cc1Cl ZINC001307722258 1070146875 /nfs/dbraw/zinc/14/68/75/1070146875.db2.gz SGMXGRANLRNCMW-UHFFFAOYSA-N 1 1 453.395 3.552 20 0 JHADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001312837119 1070147043 /nfs/dbraw/zinc/14/70/43/1070147043.db2.gz GXAAAXZVYXDLRA-NRFANRHFSA-N 1 1 450.023 3.718 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001314343987 1070147380 /nfs/dbraw/zinc/14/73/80/1070147380.db2.gz NPTDRQYPRJUTTO-WOJBJXKFSA-N 1 1 464.655 3.525 20 0 JHADMO O=C(C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC001307723506 1070147748 /nfs/dbraw/zinc/14/77/48/1070147748.db2.gz FGYZZTFJYWUPND-UHFFFAOYSA-N 1 1 451.464 3.868 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731907 1070154969 /nfs/dbraw/zinc/15/49/69/1070154969.db2.gz MVHJKOPSKNVNEI-IRXDYDNUSA-N 1 1 457.596 3.799 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731907 1070154975 /nfs/dbraw/zinc/15/49/75/1070154975.db2.gz MVHJKOPSKNVNEI-IRXDYDNUSA-N 1 1 457.596 3.799 20 0 JHADMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732956 1070155805 /nfs/dbraw/zinc/15/58/05/1070155805.db2.gz SSQXZZKDWIULHX-AXUOBQJMSA-N 1 1 456.368 3.881 20 0 JHADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162163 /nfs/dbraw/zinc/16/21/63/1070162163.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 1 1 453.602 3.850 20 0 JHADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162161 /nfs/dbraw/zinc/16/21/61/1070162161.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 1 1 453.602 3.850 20 0 JHADMO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314348601 1070159073 /nfs/dbraw/zinc/15/90/73/1070159073.db2.gz CYCHCOPPNLEKLN-FXAWDEMLSA-N 1 1 493.052 3.874 20 0 JHADMO CCOCc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314348703 1070159829 /nfs/dbraw/zinc/15/98/29/1070159829.db2.gz JLMQDMCYXJAPJH-GHTZIAJQSA-N 1 1 471.005 3.824 20 0 JHADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748720 1070164700 /nfs/dbraw/zinc/16/47/00/1070164700.db2.gz PEMCDGODSGZZJA-WOJBJXKFSA-N 1 1 453.624 3.735 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC001312884490 1070166316 /nfs/dbraw/zinc/16/63/16/1070166316.db2.gz HOYXASVWDVYSID-AOYPEHQESA-N 1 1 479.621 3.837 20 0 JHADMO 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CCOCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001314489223 1070399978 /nfs/dbraw/zinc/39/99/78/1070399978.db2.gz OVRPGJXMKMSMKN-GOSISDBHSA-N 1 1 470.643 3.562 20 0 JHADMO CCCn1nc(-c2nnc(N3CCC[C@@H]3CSC)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313458008 1070401498 /nfs/dbraw/zinc/40/14/98/1070401498.db2.gz BUXWWUNAZFTLIU-LJQANCHMSA-N 1 1 483.686 3.737 20 0 JHADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC001308613143 1070401750 /nfs/dbraw/zinc/40/17/50/1070401750.db2.gz CDMASANOJNWJFR-FQEVSTJZSA-N 1 1 456.562 3.665 20 0 JHADMO CCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001314490111 1070402318 /nfs/dbraw/zinc/40/23/18/1070402318.db2.gz ACDWKGWMSUMQLS-GOSISDBHSA-N 1 1 459.591 3.977 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCC[N@H+]2CCC)C1 ZINC001313459295 1070405971 /nfs/dbraw/zinc/40/59/71/1070405971.db2.gz GSMTZOMXRZUJNV-DHIUTWEWSA-N 1 1 482.673 3.961 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)cc2OC)C[C@@H]1CC ZINC001314492716 1070406005 /nfs/dbraw/zinc/40/60/05/1070406005.db2.gz ANIAWNMOZXQHMO-FQEVSTJZSA-N 1 1 459.635 3.578 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(CC)C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314494392 1070410080 /nfs/dbraw/zinc/41/00/80/1070410080.db2.gz QNWDMONBNYDLSC-FQEVSTJZSA-N 1 1 480.698 3.770 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)CC1 ZINC001314493005 1070406988 /nfs/dbraw/zinc/40/69/88/1070406988.db2.gz DCPASLVIXZSDBZ-QHCPKHFHSA-N 1 1 478.641 3.945 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1CC ZINC001314495626 1070414680 /nfs/dbraw/zinc/41/46/80/1070414680.db2.gz JKTARNMTVWDODW-CEXWTWQISA-N 1 1 481.567 3.966 20 0 JHADMO O=C(CC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)Nc1ccc(Br)cc1 ZINC001308678983 1070415873 /nfs/dbraw/zinc/41/58/73/1070415873.db2.gz PADQDVAGGBGOFI-UHFFFAOYSA-N 1 1 452.715 3.941 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)C[C@H]1CC ZINC001314496044 1070416286 /nfs/dbraw/zinc/41/62/86/1070416286.db2.gz GBFPSUNPGLCOAW-HXUWFJFHSA-N 1 1 463.573 3.936 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001314496325 1070417192 /nfs/dbraw/zinc/41/71/92/1070417192.db2.gz IIQBYXYKHPQQHV-DLBZAZTESA-N 1 1 498.491 3.743 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2)CC1 ZINC001314496948 1070419790 /nfs/dbraw/zinc/41/97/90/1070419790.db2.gz OPOIUAJPCYEABP-UHFFFAOYSA-N 1 1 487.446 3.561 20 0 JHADMO CCCn1nc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313462453 1070420851 /nfs/dbraw/zinc/42/08/51/1070420851.db2.gz XFFCDIQBNWGLLU-JOCHJYFZSA-N 1 1 497.713 3.983 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001313462523 1070421520 /nfs/dbraw/zinc/42/15/20/1070421520.db2.gz MTRJFZCDNSFJLA-NQIIRXRSSA-N 1 1 459.038 3.854 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001314497909 1070422245 /nfs/dbraw/zinc/42/22/45/1070422245.db2.gz GNFONBSSSZXRMY-FQEVSTJZSA-N 1 1 463.573 3.759 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCSC2)CC1 ZINC001314498501 1070424705 /nfs/dbraw/zinc/42/47/05/1070424705.db2.gz PTUUJHKPOBBTRJ-JOCHJYFZSA-N 1 1 473.687 3.776 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2OCCC2(C)C)C[C@H]1CC ZINC001314498973 1070425475 /nfs/dbraw/zinc/42/54/75/1070425475.db2.gz VHESQENETREHID-NHCUHLMSSA-N 1 1 461.676 3.683 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2C)C[C@@H]1CC ZINC001314499039 1070426196 /nfs/dbraw/zinc/42/61/96/1070426196.db2.gz IOYZUQSCIYGFID-DEOSSOPVSA-N 1 1 462.642 3.866 20 0 JHADMO Brc1cccc(OCC[N@H+](Cc2cnc3n2CCOC3)C[C@H]2CCCS2)c1 ZINC001308728641 1070426911 /nfs/dbraw/zinc/42/69/11/1070426911.db2.gz KNQZTOGBJKDINR-LJQANCHMSA-N 1 1 452.418 3.952 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001314499431 1070427239 /nfs/dbraw/zinc/42/72/39/1070427239.db2.gz KHOVECMWOFZECU-KRWDZBQOSA-N 1 1 490.624 3.874 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1CC ZINC001314499599 1070427945 /nfs/dbraw/zinc/42/79/45/1070427945.db2.gz POIHVKJZGVSNSF-HNNXBMFYSA-N 1 1 489.974 3.547 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314499793 1070429021 /nfs/dbraw/zinc/42/90/21/1070429021.db2.gz OIGJXVHWDLVIJB-VXKWHMMOSA-N 1 1 472.703 3.733 20 0 JHADMO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)cc12 ZINC001308744956 1070429272 /nfs/dbraw/zinc/42/92/72/1070429272.db2.gz LWIWWTAZCWKZRG-UHFFFAOYSA-N 1 1 456.978 3.685 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1CC ZINC001314500149 1070429662 /nfs/dbraw/zinc/42/96/62/1070429662.db2.gz SYCNVWBWFVUIBX-JOCHJYFZSA-N 1 1 474.694 3.521 20 0 JHADMO CCn1c(Br)c(Br)nc1CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC001308753250 1070430986 /nfs/dbraw/zinc/43/09/86/1070430986.db2.gz MXJUERGIEQVVKU-HNNXBMFYSA-N 1 1 456.226 3.787 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001314500672 1070431419 /nfs/dbraw/zinc/43/14/19/1070431419.db2.gz XLXBOWQRNGYIAO-UHFFFAOYSA-N 1 1 490.624 3.952 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001314501654 1070434572 /nfs/dbraw/zinc/43/45/72/1070434572.db2.gz RDQITPJYTJRZQY-UXHICEINSA-N 1 1 455.594 3.546 20 0 JHADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC001308779085 1070437448 /nfs/dbraw/zinc/43/74/48/1070437448.db2.gz YFGYPENAJHMTHC-FZKQIMNGSA-N 1 1 455.780 3.781 20 0 JHADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC001308779085 1070437453 /nfs/dbraw/zinc/43/74/53/1070437453.db2.gz YFGYPENAJHMTHC-FZKQIMNGSA-N 1 1 455.780 3.781 20 0 JHADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001308796715 1070438839 /nfs/dbraw/zinc/43/88/39/1070438839.db2.gz VMZTWQKADCKQHU-CQSZACIVSA-N 1 1 459.310 3.834 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)c2nc(C)cs2)C[C@H]1CC ZINC001314503303 1070439536 /nfs/dbraw/zinc/43/95/36/1070439536.db2.gz PAVRUIMEGCISIQ-MISYRCLQSA-N 1 1 462.664 3.635 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001313467403 1070443280 /nfs/dbraw/zinc/44/32/80/1070443280.db2.gz YOYGTDPGJCLJKS-VWNXMTODSA-N 1 1 466.674 3.652 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001314505317 1070447460 /nfs/dbraw/zinc/44/74/60/1070447460.db2.gz SQOJSTCHPRFTDR-QFIPXVFZSA-N 1 1 485.654 3.861 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001313468680 1070449393 /nfs/dbraw/zinc/44/93/93/1070449393.db2.gz OMIOHWYEOKIZMX-NRFANRHFSA-N 1 1 496.700 3.706 20 0 JHADMO Cc1nn(C)c(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c1Br ZINC001308867353 1070451687 /nfs/dbraw/zinc/45/16/87/1070451687.db2.gz BGTBXGGWPFAVHD-CQSZACIVSA-N 1 1 451.331 3.504 20 0 JHADMO CCOCCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314507295 1070454538 /nfs/dbraw/zinc/45/45/38/1070454538.db2.gz WLUDXMOGTNEKCF-BJKOFHAPSA-N 1 1 469.674 3.930 20 0 JHADMO CCOC(=O)[C@@]1(C[NH2+]Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCCOC1 ZINC001308888192 1070454860 /nfs/dbraw/zinc/45/48/60/1070454860.db2.gz WQOJTLAHUHRWMH-OAQYLSRUSA-N 1 1 451.976 3.931 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314508153 1070457331 /nfs/dbraw/zinc/45/73/31/1070457331.db2.gz NMJNNWRQDSPPID-FQEVSTJZSA-N 1 1 475.703 3.890 20 0 JHADMO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001308906960 1070457661 /nfs/dbraw/zinc/45/76/61/1070457661.db2.gz HSQGTSXGJVBBNS-IRXDYDNUSA-N 1 1 452.555 3.635 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308908311 1070458071 /nfs/dbraw/zinc/45/80/71/1070458071.db2.gz YIYWUOLPSGUGBP-VQTJNVASSA-N 1 1 458.555 3.911 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cnc(NC(=O)OC(C)(C)C)cn3)C2)O1 ZINC001308914991 1070459037 /nfs/dbraw/zinc/45/90/37/1070459037.db2.gz REFMJOKXIXUKJE-KBMIEXCESA-N 1 1 453.587 3.689 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001313472428 1070467198 /nfs/dbraw/zinc/46/71/98/1070467198.db2.gz ZUMYCYGRQVTMPK-UHFFFAOYSA-N 1 1 452.647 3.810 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001313472912 1070468498 /nfs/dbraw/zinc/46/84/98/1070468498.db2.gz NNHXDDPXMIRHHY-YADHBBJMSA-N 1 1 460.667 3.527 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001313472911 1070468650 /nfs/dbraw/zinc/46/86/50/1070468650.db2.gz NNHXDDPXMIRHHY-VXKWHMMOSA-N 1 1 460.667 3.527 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001313474647 1070472551 /nfs/dbraw/zinc/47/25/51/1070472551.db2.gz JIJLOGVTLXGDCE-UHFFFAOYSA-N 1 1 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JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)C[C@H]1C ZINC001313859711 1071364463 /nfs/dbraw/zinc/36/44/63/1071364463.db2.gz GXSMGEMJVKTIEM-HKBOAZHASA-N 1 1 456.610 3.738 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001314924442 1071367470 /nfs/dbraw/zinc/36/74/70/1071367470.db2.gz OFXFPVYKIRWQOF-NRFANRHFSA-N 1 1 458.695 3.925 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCC2(O)CCOCC2)C[C@@H]1C ZINC001313860089 1071367515 /nfs/dbraw/zinc/36/75/15/1071367515.db2.gz IZMIJOGPEITFCK-ZWKOTPCHSA-N 1 1 492.462 3.558 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001313860133 1071368084 /nfs/dbraw/zinc/36/80/84/1071368084.db2.gz JRIPSVJHWBADMH-OALUTQOASA-N 1 1 473.687 3.739 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001313860133 1071368090 /nfs/dbraw/zinc/36/80/90/1071368090.db2.gz JRIPSVJHWBADMH-OALUTQOASA-N 1 1 473.687 3.739 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1C(C)(C)C ZINC001314925364 1071368469 /nfs/dbraw/zinc/36/84/69/1071368469.db2.gz XPGWILJQGYRYHB-QFIPXVFZSA-N 1 1 484.664 3.726 20 0 JHADMO CN(c1nnc(CC2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001314928885 1071371570 /nfs/dbraw/zinc/37/15/70/1071371570.db2.gz TWBNUGSKSYIKHN-OFNKIYASSA-N 1 1 494.453 3.987 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(F)F)C[C@H]1C ZINC001313860706 1071370559 /nfs/dbraw/zinc/37/05/59/1071370559.db2.gz KWQRONJSCMKYTP-CVEARBPZSA-N 1 1 483.633 3.511 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313860775 1071371164 /nfs/dbraw/zinc/37/11/64/1071371164.db2.gz LITSATBDUIYSJJ-ULQDDVLXSA-N 1 1 469.552 3.581 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C[C@@H]1C ZINC001313861127 1071373282 /nfs/dbraw/zinc/37/32/82/1071373282.db2.gz LUDQAPKCKUPIHD-HOTGVXAUSA-N 1 1 467.456 3.638 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C2CC2)C[C@@H]1C ZINC001313862474 1071377361 /nfs/dbraw/zinc/37/73/61/1071377361.db2.gz BEOHKJYGBWAIOY-DGUDUIIESA-N 1 1 471.646 3.821 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C2CC2)C[C@@H]1C ZINC001313862475 1071377472 /nfs/dbraw/zinc/37/74/72/1071377472.db2.gz BEOHKJYGBWAIOY-LZJCXSABSA-N 1 1 471.646 3.821 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001313862359 1071376149 /nfs/dbraw/zinc/37/61/49/1071376149.db2.gz PYVZNRALSVDYIJ-ONTIZHBOSA-N 1 1 480.661 3.715 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCc2nccnc2C)C[C@@H]1C ZINC001313862370 1071376459 /nfs/dbraw/zinc/37/64/59/1071376459.db2.gz QCKCADLSEKPEPJ-DLBZAZTESA-N 1 1 484.446 3.968 20 0 JHADMO 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 ZINC001313861947 1071376488 /nfs/dbraw/zinc/37/64/88/1071376488.db2.gz OJHBWVOQYRZGHJ-NHAYFPRASA-N 1 1 467.536 3.900 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313863307 1071381760 /nfs/dbraw/zinc/38/17/60/1071381760.db2.gz SXNQZGTWHDGJGP-QWHCGFSZSA-N 1 1 483.365 3.595 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313864134 1071384897 /nfs/dbraw/zinc/38/48/97/1071384897.db2.gz XINAVSXMOHCNCX-RBUKOAKNSA-N 1 1 461.054 3.628 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313864203 1071386185 /nfs/dbraw/zinc/38/61/85/1071386185.db2.gz YAERXDBDPMYLJB-ZWKOTPCHSA-N 1 1 473.668 3.572 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@H]1C ZINC001313865335 1071392086 /nfs/dbraw/zinc/39/20/86/1071392086.db2.gz ZCBQWKSTFNUVFV-MSOLQXFVSA-N 1 1 471.005 3.730 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865515 1071392839 /nfs/dbraw/zinc/39/28/39/1071392839.db2.gz DYZSGCOPWGHNEA-LEWJYISDSA-N 1 1 484.693 3.576 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865503 1071393274 /nfs/dbraw/zinc/39/32/74/1071393274.db2.gz DWDCDUAARJWEGW-GRDNDAEWSA-N 1 1 486.361 3.697 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313865680 1071393321 /nfs/dbraw/zinc/39/33/21/1071393321.db2.gz CPMCABYZJFFLLQ-SJBKTWHCSA-N 1 1 492.064 3.586 20 0 JHADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC(CC)(CC)OC)c2ccccc2c1=O ZINC001313865015 1071390337 /nfs/dbraw/zinc/39/03/37/1071390337.db2.gz NNYIVSOQWZULOD-VQTJNVASSA-N 1 1 495.672 3.799 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001313866853 1071396525 /nfs/dbraw/zinc/39/65/25/1071396525.db2.gz QZQLGUJFKKAJJJ-LSDHHAIUSA-N 1 1 478.464 3.664 20 0 JHADMO 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 1071397831 /nfs/dbraw/zinc/39/78/31/1071397831.db2.gz LFMPDCWYKIXUIY-BRWVUGGUSA-N 1 1 478.041 3.826 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@H]1C ZINC001313867125 1071397878 /nfs/dbraw/zinc/39/78/78/1071397878.db2.gz LMPKNIMFJLTFEI-HZPDHXFCSA-N 1 1 456.418 3.834 20 0 JHADMO CC(C)Cn1ncc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C(C)C ZINC001310453982 1071398694 /nfs/dbraw/zinc/39/86/94/1071398694.db2.gz UHYIRFFFAWSWRB-UHFFFAOYSA-N 1 1 450.628 3.727 20 0 JHADMO 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 1071400780 /nfs/dbraw/zinc/40/07/80/1071400780.db2.gz MSCCYATYUCSXDD-HSALFYBXSA-N 1 1 457.619 3.696 20 0 JHADMO 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 1071410121 /nfs/dbraw/zinc/41/01/21/1071410121.db2.gz PUQDYLQXQJXCJT-VQTJNVASSA-N 1 1 490.693 3.617 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313869594 1071409457 /nfs/dbraw/zinc/40/94/57/1071409457.db2.gz QKSNWUMZMDAJHG-ZWKOTPCHSA-N 1 1 484.670 3.813 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001314948449 1071411643 /nfs/dbraw/zinc/41/16/43/1071411643.db2.gz NTDIXVTZJSPNPV-VQTJNVASSA-N 1 1 492.672 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@@H]1C ZINC001313870575 1071413396 /nfs/dbraw/zinc/41/33/96/1071413396.db2.gz UXQFNNNOCGTWMP-ROUUACIJSA-N 1 1 454.644 3.804 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870605 1071414062 /nfs/dbraw/zinc/41/40/62/1071414062.db2.gz FBSNDDFCZIBDIC-VQTJNVASSA-N 1 1 466.596 3.980 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313871635 1071417458 /nfs/dbraw/zinc/41/74/58/1071417458.db2.gz GVMKKFFBCSJODW-IAGOWNOFSA-N 1 1 456.541 3.518 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871780 1071418348 /nfs/dbraw/zinc/41/83/48/1071418348.db2.gz HLYUFJTTZNKCJH-MSOLQXFVSA-N 1 1 455.006 3.893 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313872689 1071422930 /nfs/dbraw/zinc/42/29/30/1071422930.db2.gz KFHPZBXXPYKPGJ-SJORKVTESA-N 1 1 475.519 3.643 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314952140 1071422337 /nfs/dbraw/zinc/42/23/37/1071422337.db2.gz CYRGHGJYJHOUGQ-OALUTQOASA-N 1 1 451.619 3.509 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873436 1071424853 /nfs/dbraw/zinc/42/48/53/1071424853.db2.gz ZTLKEBQUMIFSOU-RBUKOAKNSA-N 1 1 459.635 3.944 20 0 JHADMO 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 1071427098 /nfs/dbraw/zinc/42/70/98/1071427098.db2.gz FFWFEHWYMOHEKZ-ZDPRRSKRSA-N 1 1 498.455 3.623 20 0 JHADMO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489569 1071427604 /nfs/dbraw/zinc/42/76/04/1071427604.db2.gz IGFCSVBFZWNRGD-SDHSZQHLSA-N 1 1 458.647 3.529 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489569 1071427609 /nfs/dbraw/zinc/42/76/09/1071427609.db2.gz IGFCSVBFZWNRGD-SDHSZQHLSA-N 1 1 458.647 3.529 20 0 JHADMO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489567 1071427633 /nfs/dbraw/zinc/42/76/33/1071427633.db2.gz IGFCSVBFZWNRGD-GVAUOCQISA-N 1 1 458.647 3.529 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489567 1071427639 /nfs/dbraw/zinc/42/76/39/1071427639.db2.gz IGFCSVBFZWNRGD-GVAUOCQISA-N 1 1 458.647 3.529 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490845 1071429980 /nfs/dbraw/zinc/42/99/80/1071429980.db2.gz PXBPTGZOWBOMIK-XZOQPEGZSA-N 1 1 456.562 3.953 20 0 JHADMO CCN1C[C@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)Oc2ccccc21 ZINC001313875353 1071433873 /nfs/dbraw/zinc/43/38/73/1071433873.db2.gz GQWGLLZPHAQBGD-LADGPHEKSA-N 1 1 498.716 3.947 20 0 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CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877321 1071441611 /nfs/dbraw/zinc/44/16/11/1071441611.db2.gz WQBQUKFDRLCDCD-YADHBBJMSA-N 1 1 452.647 3.965 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878142 1071443760 /nfs/dbraw/zinc/44/37/60/1071443760.db2.gz VJKVCZDRFMGETE-QZTJIDSGSA-N 1 1 489.546 3.567 20 0 JHADMO 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 1071453060 /nfs/dbraw/zinc/45/30/60/1071453060.db2.gz AOGZMAZVWFMOOK-SEIRJHJZSA-N 1 1 490.693 3.594 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001313884065 1071463370 /nfs/dbraw/zinc/46/33/70/1071463370.db2.gz MKIOJHBKJNDKAX-ICSRJNTNSA-N 1 1 489.064 3.860 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC2CC[NH+](CC)CC2)C[C@H]1C ZINC001313882870 1071459659 /nfs/dbraw/zinc/45/96/59/1071459659.db2.gz NRWYYYBOKZNFKZ-OAQYLSRUSA-N 1 1 454.663 3.530 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313900622 1071509361 /nfs/dbraw/zinc/50/93/61/1071509361.db2.gz QRAVKFZBZGKYFC-GUDVDZBRSA-N 1 1 493.425 3.623 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCOC)CC1CC1 ZINC001313900754 1071510045 /nfs/dbraw/zinc/51/00/45/1071510045.db2.gz RZVDAKHTMDYFTR-JOCHJYFZSA-N 1 1 490.693 3.740 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313901282 1071511067 /nfs/dbraw/zinc/51/10/67/1071511067.db2.gz FQWATBIDMZCWRN-UXHICEINSA-N 1 1 456.610 3.557 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313901283 1071511268 /nfs/dbraw/zinc/51/12/68/1071511268.db2.gz FQWATBIDMZCWRN-VQTJNVASSA-N 1 1 456.610 3.557 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001313902625 1071514131 /nfs/dbraw/zinc/51/41/31/1071514131.db2.gz HJLLJYXHPFEXSG-QHCPKHFHSA-N 1 1 455.647 3.947 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001313902653 1071514254 /nfs/dbraw/zinc/51/42/54/1071514254.db2.gz HTRSVLGSAZOXRU-OFNKIYASSA-N 1 1 465.646 3.787 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313903070 1071515007 /nfs/dbraw/zinc/51/50/07/1071515007.db2.gz BLVGQLVZXMPKON-UQBPGWFLSA-N 1 1 473.618 3.588 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313904311 1071517281 /nfs/dbraw/zinc/51/72/81/1071517281.db2.gz TURVFRIZKSZDTC-VXKWHMMOSA-N 1 1 452.647 3.726 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313904630 1071519351 /nfs/dbraw/zinc/51/93/51/1071519351.db2.gz RLYWSAQFPOTSKA-PZJWPPBQSA-N 1 1 490.048 3.735 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906661 1071524967 /nfs/dbraw/zinc/52/49/67/1071524967.db2.gz YJAHMACWMRDLEJ-IBGZPJMESA-N 1 1 491.478 3.933 20 0 JHADMO 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 1071525127 /nfs/dbraw/zinc/52/51/27/1071525127.db2.gz YCINFXZUGCYTAG-KCZVDYSFSA-N 1 1 488.702 3.552 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001315001669 1071525119 /nfs/dbraw/zinc/52/51/19/1071525119.db2.gz VFPUQKHCNNEBNN-OAQYLSRUSA-N 1 1 452.647 3.871 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907235 1071526615 /nfs/dbraw/zinc/52/66/15/1071526615.db2.gz ZVNOYIJNKSMPMJ-XUZZJYLKSA-N 1 1 463.573 3.718 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 ZINC001313907583 1071528246 /nfs/dbraw/zinc/52/82/46/1071528246.db2.gz IJYPXCHMNSUCIE-AEFFLSMTSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313907722 1071528668 /nfs/dbraw/zinc/52/86/68/1071528668.db2.gz JYFHMMNBUNLMFN-QFIPXVFZSA-N 1 1 467.662 3.578 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313908307 1071529514 /nfs/dbraw/zinc/52/95/14/1071529514.db2.gz IHIJGFGZIQLRND-GOSISDBHSA-N 1 1 463.001 3.704 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908087 1071529652 /nfs/dbraw/zinc/52/96/52/1071529652.db2.gz LVGRATSVTZETBV-JOCHJYFZSA-N 1 1 473.687 3.813 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001313908387 1071530114 /nfs/dbraw/zinc/53/01/14/1071530114.db2.gz NLBUJOBZTGIYFU-FQEVSTJZSA-N 1 1 462.436 3.791 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313908653 1071530177 /nfs/dbraw/zinc/53/01/77/1071530177.db2.gz ALBMTPWRXUEOOQ-IBGZPJMESA-N 1 1 488.627 3.716 20 0 JHADMO CNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315003785 1071530516 /nfs/dbraw/zinc/53/05/16/1071530516.db2.gz HZFYROBXVLQGRH-OAQYLSRUSA-N 1 1 487.092 3.853 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313910757 1071536394 /nfs/dbraw/zinc/53/63/94/1071536394.db2.gz GRQVGMRJVJWFHM-VXKWHMMOSA-N 1 1 459.610 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313910997 1071536898 /nfs/dbraw/zinc/53/68/98/1071536898.db2.gz XVBKBUDSQMDBPO-NRFANRHFSA-N 1 1 450.587 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313911921 1071538469 /nfs/dbraw/zinc/53/84/69/1071538469.db2.gz SPBREKSJBXITGJ-JOCHJYFZSA-N 1 1 483.661 3.828 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001313912310 1071539950 /nfs/dbraw/zinc/53/99/50/1071539950.db2.gz HIQIRAYWNNFLAO-QFIPXVFZSA-N 1 1 472.703 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001313912919 1071541085 /nfs/dbraw/zinc/54/10/85/1071541085.db2.gz ONJFGULFXVDLBS-QHCPKHFHSA-N 1 1 468.646 3.810 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001313912914 1071541252 /nfs/dbraw/zinc/54/12/52/1071541252.db2.gz ONJFGULFXVDLBS-HSZRJFAPSA-N 1 1 468.646 3.810 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313910998 1071537002 /nfs/dbraw/zinc/53/70/02/1071537002.db2.gz XVBKBUDSQMDBPO-OAQYLSRUSA-N 1 1 450.587 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001313914150 1071546068 /nfs/dbraw/zinc/54/60/68/1071546068.db2.gz SCUDSNOPHRRXCK-FGZHOGPDSA-N 1 1 474.719 3.922 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313914343 1071546742 /nfs/dbraw/zinc/54/67/42/1071546742.db2.gz MMPMWHBXUJYOMP-VJANTYMQSA-N 1 1 459.557 3.655 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1=O ZINC001313913246 1071542805 /nfs/dbraw/zinc/54/28/05/1071542805.db2.gz LASSRRNDGXJXJV-LJQANCHMSA-N 1 1 459.038 3.922 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001315021743 1071543172 /nfs/dbraw/zinc/54/31/72/1071543172.db2.gz XNXVEXJKRMXFNS-OAQYLSRUSA-N 1 1 482.673 3.961 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913462 1071543654 /nfs/dbraw/zinc/54/36/54/1071543654.db2.gz POXJUBHCCVHDMW-FCHUYYIVSA-N 1 1 454.619 3.777 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913499 1071543816 /nfs/dbraw/zinc/54/38/16/1071543816.db2.gz PRMMRKURZNWRJO-LEWJYISDSA-N 1 1 478.682 3.740 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001315021865 1071543851 /nfs/dbraw/zinc/54/38/51/1071543851.db2.gz SCCMFOWMVWHWAV-UHFFFAOYSA-N 1 1 467.662 3.656 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313914695 1071547955 /nfs/dbraw/zinc/54/79/55/1071547955.db2.gz SYJNPTQFHARSET-NQIIRXRSSA-N 1 1 482.570 3.955 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001315027080 1071553320 /nfs/dbraw/zinc/55/33/20/1071553320.db2.gz PJBGTTIPYMIHQD-OAHLLOKOSA-N 1 1 476.412 3.988 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313914826 1071548656 /nfs/dbraw/zinc/54/86/56/1071548656.db2.gz OERJQVFYMZNYGO-GUDVDZBRSA-N 1 1 487.611 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313915102 1071549283 /nfs/dbraw/zinc/54/92/83/1071549283.db2.gz OXRURTUQAHXLOH-QHAWAJNXSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313915150 1071549868 /nfs/dbraw/zinc/54/98/68/1071549868.db2.gz QCRJSRHLDHOUDQ-VWPQPMDRSA-N 1 1 463.667 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313915139 1071549930 /nfs/dbraw/zinc/54/99/30/1071549930.db2.gz QAMVQHXJMHCZBH-JOCHJYFZSA-N 1 1 498.672 3.917 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001315027388 1071554056 /nfs/dbraw/zinc/55/40/56/1071554056.db2.gz QMDCRFCIDQWGAB-QZTJIDSGSA-N 1 1 477.053 3.690 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cc[nH+]c1C ZINC001315028438 1071556042 /nfs/dbraw/zinc/55/60/42/1071556042.db2.gz GJIDAFRARCMRAX-UHFFFAOYSA-N 1 1 488.434 3.574 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920687 1071559497 /nfs/dbraw/zinc/55/94/97/1071559497.db2.gz LORUHLZVPIILAB-AZUAARDMSA-N 1 1 494.656 3.904 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCOC)CC1 ZINC001313920999 1071560541 /nfs/dbraw/zinc/56/05/41/1071560541.db2.gz NJGQCSLFRBJPNF-NRFANRHFSA-N 1 1 456.679 3.741 20 0 JHADMO CCN1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313922729 1071565778 /nfs/dbraw/zinc/56/57/78/1071565778.db2.gz XOQBNJMZOVZXNI-JOCHJYFZSA-N 1 1 466.674 3.632 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC3(C)C)CC2)CC1 ZINC001313923541 1071567565 /nfs/dbraw/zinc/56/75/65/1071567565.db2.gz OPYKRULHZGZUCW-NRFANRHFSA-N 1 1 458.695 3.683 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@H]3CC[C@](C)(CC)O3)CC2)CC1 ZINC001313923775 1071567980 /nfs/dbraw/zinc/56/79/80/1071567980.db2.gz SROCMNPYYDADCC-KCWPFWIISA-N 1 1 488.721 3.595 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924358 1071569715 /nfs/dbraw/zinc/56/97/15/1071569715.db2.gz DHSYXURHIQKXRW-IBGZPJMESA-N 1 1 498.473 3.765 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926352 1071576340 /nfs/dbraw/zinc/57/63/40/1071576340.db2.gz FECSUFLJDNDUDS-SFHVURJKSA-N 1 1 465.484 3.526 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313926779 1071577387 /nfs/dbraw/zinc/57/73/87/1071577387.db2.gz YCLFFTCGESVDGT-RBUKOAKNSA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927054 1071578886 /nfs/dbraw/zinc/57/88/86/1071578886.db2.gz ZCRAWWOCCROSFV-SFTDATJTSA-N 1 1 494.606 3.827 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927342 1071579983 /nfs/dbraw/zinc/57/99/83/1071579983.db2.gz JSGJBKBUDHOTSM-UXHICEINSA-N 1 1 483.611 3.766 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927436 1071580759 /nfs/dbraw/zinc/58/07/59/1071580759.db2.gz LALMCADFKZFIAK-NQHRYMMQSA-N 1 1 498.716 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313928329 1071583807 /nfs/dbraw/zinc/58/38/07/1071583807.db2.gz AMHIWONTPGZXCD-VQTJNVASSA-N 1 1 491.080 3.991 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929423 1071586737 /nfs/dbraw/zinc/58/67/37/1071586737.db2.gz RRWQAZGHZHIFII-INIZCTEOSA-N 1 1 484.533 3.824 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001313928969 1071585407 /nfs/dbraw/zinc/58/54/07/1071585407.db2.gz DXXZSMOLKRWRFD-WOJBJXKFSA-N 1 1 491.080 3.713 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSC(F)(F)F)C[C@@H]1C ZINC001313929193 1071586115 /nfs/dbraw/zinc/58/61/15/1071586115.db2.gz FDNLTMQUGVBPOA-AWEZNQCLSA-N 1 1 490.983 3.645 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)C1 ZINC001315077434 1071588454 /nfs/dbraw/zinc/58/84/54/1071588454.db2.gz IUOWNQGCXLLRCX-ZWKOTPCHSA-N 1 1 459.660 3.861 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)C1 ZINC001315077432 1071588502 /nfs/dbraw/zinc/58/85/02/1071588502.db2.gz IUOWNQGCXLLRCX-ROUUACIJSA-N 1 1 459.660 3.861 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313930892 1071590160 /nfs/dbraw/zinc/59/01/60/1071590160.db2.gz DCTMCYVSAYWESO-JPYJTQIMSA-N 1 1 481.563 3.916 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001315081962 1071590866 /nfs/dbraw/zinc/59/08/66/1071590866.db2.gz PIGXFHJDWONTMR-IRLDBZIGSA-N 1 1 464.614 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931295 1071591741 /nfs/dbraw/zinc/59/17/41/1071591741.db2.gz QVXZTSGVGGJTBI-MSOLQXFVSA-N 1 1 458.010 3.807 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313931399 1071591906 /nfs/dbraw/zinc/59/19/06/1071591906.db2.gz YSLAVCGGPYZWND-IBGZPJMESA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313931819 1071593408 /nfs/dbraw/zinc/59/34/08/1071593408.db2.gz IWOJOHPRZBULQA-QZTJIDSGSA-N 1 1 462.436 3.973 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@@H]1C ZINC001313932774 1071596422 /nfs/dbraw/zinc/59/64/22/1071596422.db2.gz IXGWXHMHFCEGCH-NVQXNPDNSA-N 1 1 455.647 3.709 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001313932754 1071596571 /nfs/dbraw/zinc/59/65/71/1071596571.db2.gz XGQMLGMGLKURNQ-IRFCIJBXSA-N 1 1 478.037 3.634 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)COC)C[C@@H]1C ZINC001313933697 1071599040 /nfs/dbraw/zinc/59/90/40/1071599040.db2.gz QATQFYMWVSWOTR-UXHICEINSA-N 1 1 453.587 3.930 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)C[C@H]1C ZINC001313933667 1071599339 /nfs/dbraw/zinc/59/93/39/1071599339.db2.gz PUHQLTKKRMKYCU-QGZVFWFLSA-N 1 1 460.420 3.893 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313934112 1071601227 /nfs/dbraw/zinc/60/12/27/1071601227.db2.gz OLYDBCFDQLBRBJ-DFBJGRDBSA-N 1 1 482.654 3.647 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604206 /nfs/dbraw/zinc/60/42/06/1071604206.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604211 /nfs/dbraw/zinc/60/42/11/1071604211.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 1 1 492.510 3.841 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(OC)cc2)C[C@@H]1C ZINC001313935045 1071604355 /nfs/dbraw/zinc/60/43/55/1071604355.db2.gz VHYKBSKYLGNRLL-KRWDZBQOSA-N 1 1 487.446 3.828 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001313935090 1071604647 /nfs/dbraw/zinc/60/46/47/1071604647.db2.gz WFAJNGVLBVZBKE-UZLBHIALSA-N 1 1 480.451 3.918 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@@H]1C ZINC001313936743 1071609560 /nfs/dbraw/zinc/60/95/60/1071609560.db2.gz IDCKIILHXGFZGE-ROUUACIJSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313935529 1071605850 /nfs/dbraw/zinc/60/58/50/1071605850.db2.gz XRGXFVFMUUGIAT-INIZCTEOSA-N 1 1 460.504 3.946 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)C[C@H]1C ZINC001313936899 1071609696 /nfs/dbraw/zinc/60/96/96/1071609696.db2.gz QUHFMIHSRRXHEI-MRXNPFEDSA-N 1 1 489.393 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)no2)C[C@H]1C ZINC001313935520 1071606091 /nfs/dbraw/zinc/60/60/91/1071606091.db2.gz XPFXUZDSPCYFSX-CQSZACIVSA-N 1 1 463.355 3.722 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313936825 1071609784 /nfs/dbraw/zinc/60/97/84/1071609784.db2.gz QJPPHQWNQRPEMY-QGZVFWFLSA-N 1 1 490.530 3.977 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001313936147 1071608001 /nfs/dbraw/zinc/60/80/01/1071608001.db2.gz MBJMWQMOTQKHMA-QGZVFWFLSA-N 1 1 472.435 3.604 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@@H]1C ZINC001313937383 1071610729 /nfs/dbraw/zinc/61/07/29/1071610729.db2.gz LWBHQMKKXUMBOE-SFTDATJTSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2ccccn2)C[C@H]1C ZINC001313938255 1071611386 /nfs/dbraw/zinc/61/13/86/1071611386.db2.gz YFKBDBLYXHKCQM-QGZVFWFLSA-N 1 1 485.430 3.884 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313938259 1071612019 /nfs/dbraw/zinc/61/20/19/1071612019.db2.gz YHORJSHNGJKBGE-LJQANCHMSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@@H]1C ZINC001313938941 1071612860 /nfs/dbraw/zinc/61/28/60/1071612860.db2.gz YPWONNPKPXEZIX-YJBOKZPZSA-N 1 1 471.549 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313940030 1071614013 /nfs/dbraw/zinc/61/40/13/1071614013.db2.gz UFCZUOSIKMZJOO-IBGZPJMESA-N 1 1 464.614 3.866 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCSC2)C[C@H]1C ZINC001313941188 1071616312 /nfs/dbraw/zinc/61/63/12/1071616312.db2.gz AHVKQQVNRTZVGT-IAGOWNOFSA-N 1 1 480.476 3.903 20 0 JHADMO 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 1071616337 /nfs/dbraw/zinc/61/63/37/1071616337.db2.gz RETBGJMOTCOPIP-QXUYBEEESA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313941350 1071617174 /nfs/dbraw/zinc/61/71/74/1071617174.db2.gz UOYWYPXEELAQOD-HNNXBMFYSA-N 1 1 495.575 3.549 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313941550 1071617630 /nfs/dbraw/zinc/61/76/30/1071617630.db2.gz WPOMLVKUWWSISF-KRWDZBQOSA-N 1 1 489.690 3.564 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941913 1071618317 /nfs/dbraw/zinc/61/83/17/1071618317.db2.gz BDUSMOUZWUUOSP-QFIPXVFZSA-N 1 1 494.606 3.745 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C[C@@H]1C ZINC001313942215 1071619570 /nfs/dbraw/zinc/61/95/70/1071619570.db2.gz GBOLSMVIYROPTO-YTQUADARSA-N 1 1 490.052 3.676 20 0 JHADMO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313942376 1071620248 /nfs/dbraw/zinc/62/02/48/1071620248.db2.gz IFAUDUCJDMJYMJ-DHIUTWEWSA-N 1 1 478.689 3.800 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943140 1071621939 /nfs/dbraw/zinc/62/19/39/1071621939.db2.gz OXMSLMFTMWEETF-IBGZPJMESA-N 1 1 461.054 3.502 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945535 1071626794 /nfs/dbraw/zinc/62/67/94/1071626794.db2.gz IYOAPJPEWHTTPR-RBUKOAKNSA-N 1 1 474.625 3.699 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313943730 1071623826 /nfs/dbraw/zinc/62/38/26/1071623826.db2.gz VDDYOVDOCIAQFL-NRFANRHFSA-N 1 1 465.646 3.905 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944254 1071624449 /nfs/dbraw/zinc/62/44/49/1071624449.db2.gz ZBJCAMXXXJHNCO-RDGATRHJSA-N 1 1 484.689 3.793 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313946157 1071627911 /nfs/dbraw/zinc/62/79/11/1071627911.db2.gz OWIKWQFUJFVDGY-OAHLLOKOSA-N 1 1 465.549 3.512 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)COC)C2)CC1 ZINC001313945325 1071626223 /nfs/dbraw/zinc/62/62/23/1071626223.db2.gz MZNMTRXKARQDFP-ZJSXRUAMSA-N 1 1 468.690 3.741 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629161 /nfs/dbraw/zinc/62/91/61/1071629161.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 1 1 454.663 3.528 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629165 /nfs/dbraw/zinc/62/91/65/1071629165.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 1 1 454.663 3.528 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313946690 1071629263 /nfs/dbraw/zinc/62/92/63/1071629263.db2.gz TYKAAXFHKLEUKT-VQTJNVASSA-N 1 1 486.661 3.663 20 0 JHADMO 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 1071631138 /nfs/dbraw/zinc/63/11/38/1071631138.db2.gz VHYHYAAKKDFCKM-XSDIEEQYSA-N 1 1 474.694 3.900 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313947110 1071631172 /nfs/dbraw/zinc/63/11/72/1071631172.db2.gz FIKURXIIGWBVKZ-NRFANRHFSA-N 1 1 451.619 3.681 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313948592 1071633879 /nfs/dbraw/zinc/63/38/79/1071633879.db2.gz LSLNSOHZMJXMHH-HSZRJFAPSA-N 1 1 499.773 3.683 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313947719 1071633016 /nfs/dbraw/zinc/63/30/16/1071633016.db2.gz XYGIJXFALVAXRH-QGZVFWFLSA-N 1 1 496.578 3.698 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634486 /nfs/dbraw/zinc/63/44/86/1071634486.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634488 /nfs/dbraw/zinc/63/44/88/1071634488.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001313948747 1071634515 /nfs/dbraw/zinc/63/45/15/1071634515.db2.gz HPWSYRDFLODOAJ-RDPSFJRHSA-N 1 1 493.121 3.601 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951028 1071639975 /nfs/dbraw/zinc/63/99/75/1071639975.db2.gz CTCUGPHRZCVRDA-CQOQZXRMSA-N 1 1 454.663 3.643 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635817 /nfs/dbraw/zinc/63/58/17/1071635817.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635821 /nfs/dbraw/zinc/63/58/21/1071635821.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 1 1 486.730 3.766 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313951219 1071641133 /nfs/dbraw/zinc/64/11/33/1071641133.db2.gz RMRWJTSLOVLBOR-ACRUOGEOSA-N 1 1 490.693 3.773 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313951333 1071641699 /nfs/dbraw/zinc/64/16/99/1071641699.db2.gz GFWDJXYQJPGKDN-RBUKOAKNSA-N 1 1 492.510 3.936 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951717 1071643043 /nfs/dbraw/zinc/64/30/43/1071643043.db2.gz VMBGLQDNCNFZJF-MOPGFXCFSA-N 1 1 461.054 3.944 20 0 JHADMO CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313951964 1071643683 /nfs/dbraw/zinc/64/36/83/1071643683.db2.gz CGJHZSPKVYVCMV-FQEVSTJZSA-N 1 1 453.660 3.702 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952181 1071644275 /nfs/dbraw/zinc/64/42/75/1071644275.db2.gz OIIYSEPIRAQGSH-NRFANRHFSA-N 1 1 458.626 3.506 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952107 1071644462 /nfs/dbraw/zinc/64/44/62/1071644462.db2.gz NBGZHBNCLFBZJP-WMZHIEFXSA-N 1 1 491.080 3.702 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313952706 1071646481 /nfs/dbraw/zinc/64/64/81/1071646481.db2.gz AMYALSVGOCMANW-FQEVSTJZSA-N 1 1 498.594 3.812 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313953043 1071647192 /nfs/dbraw/zinc/64/71/92/1071647192.db2.gz FOXSZWKZENZOQA-BGYRXZFFSA-N 1 1 461.054 3.630 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](COC)C2)CC1 ZINC001313953049 1071647789 /nfs/dbraw/zinc/64/77/89/1071647789.db2.gz FPYVDDWFANHWED-IBGZPJMESA-N 1 1 479.044 3.628 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313953582 1071648926 /nfs/dbraw/zinc/64/89/26/1071648926.db2.gz IOUBBSMMNZKGNQ-UHFFFAOYSA-N 1 1 487.027 3.582 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCN(c4cc(F)cc(F)c4)CC3)nnc2C(C)(C)C)CC1 ZINC001313953486 1071649059 /nfs/dbraw/zinc/64/90/59/1071649059.db2.gz GTKLGFFOXHNURO-UHFFFAOYSA-N 1 1 489.659 3.598 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001313953761 1071650020 /nfs/dbraw/zinc/65/00/20/1071650020.db2.gz KSZZRFUGWYPXCD-MZKRTTBSSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2cccs2)CC1 ZINC001313954271 1071651312 /nfs/dbraw/zinc/65/13/12/1071651312.db2.gz MSQINPCKBNMJFO-FQEVSTJZSA-N 1 1 468.671 3.925 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955913 1071656744 /nfs/dbraw/zinc/65/67/44/1071656744.db2.gz VXTZBLDSUAGGER-SFHVURJKSA-N 1 1 474.028 3.976 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954965 1071653614 /nfs/dbraw/zinc/65/36/14/1071653614.db2.gz QYWSPRUHSLZUCU-AREMUKBSSA-N 1 1 454.663 3.998 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccsc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313954904 1071653738 /nfs/dbraw/zinc/65/37/38/1071653738.db2.gz WXUZYLPRGOTALC-PMACEKPBSA-N 1 1 462.733 3.678 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313955059 1071654146 /nfs/dbraw/zinc/65/41/46/1071654146.db2.gz RVKLTCUROZDRJD-FQEVSTJZSA-N 1 1 465.568 3.537 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956556 1071658045 /nfs/dbraw/zinc/65/80/45/1071658045.db2.gz HROUFXRUBLIWOU-NRFANRHFSA-N 1 1 486.709 3.785 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C2CCCCC2)CC1 ZINC001313957028 1071659509 /nfs/dbraw/zinc/65/95/09/1071659509.db2.gz BTPVPOGPCJMEBV-UHFFFAOYSA-N 1 1 470.662 3.759 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)CC1 ZINC001313957467 1071660655 /nfs/dbraw/zinc/66/06/55/1071660655.db2.gz UUTQGKYMHCRTBA-HSZRJFAPSA-N 1 1 468.690 3.800 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957674 1071661178 /nfs/dbraw/zinc/66/11/78/1071661178.db2.gz RPJOTCTTZPIZDL-MQSCRBSSSA-N 1 1 492.634 3.972 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957909 1071661790 /nfs/dbraw/zinc/66/17/90/1071661790.db2.gz SALCCVMVKCKIPA-BJKOFHAPSA-N 1 1 498.716 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313958125 1071662959 /nfs/dbraw/zinc/66/29/59/1071662959.db2.gz UJKFYMMGUXXZTH-YTFSRNRJSA-N 1 1 486.730 3.769 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960076 1071668662 /nfs/dbraw/zinc/66/86/62/1071668662.db2.gz HDQKDNCXVRJWFP-FQEVSTJZSA-N 1 1 489.734 3.761 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959100 1071665882 /nfs/dbraw/zinc/66/58/82/1071665882.db2.gz ZKKJFOQFYXFLNF-QFIPXVFZSA-N 1 1 453.679 3.554 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960107 1071668790 /nfs/dbraw/zinc/66/87/90/1071668790.db2.gz DQNYXNHPPDPXCP-HSZRJFAPSA-N 1 1 498.716 3.797 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313960791 1071671196 /nfs/dbraw/zinc/67/11/96/1071671196.db2.gz MPWLMDKGRNCHST-PKTZIBPZSA-N 1 1 454.663 3.736 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313961073 1071671797 /nfs/dbraw/zinc/67/17/97/1071671797.db2.gz QASWWXHUXPWXRX-FCHUYYIVSA-N 1 1 470.662 3.518 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313961543 1071672778 /nfs/dbraw/zinc/67/27/78/1071672778.db2.gz ULJOYISSJOQPAB-ZRZAMGCNSA-N 1 1 486.730 3.832 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCCOC(C)C)c2ccccc2c1=O ZINC001313965727 1071684720 /nfs/dbraw/zinc/68/47/20/1071684720.db2.gz DMGITKFMWNHQLP-UHFFFAOYSA-N 1 1 495.672 3.801 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001313975067 1071704553 /nfs/dbraw/zinc/70/45/53/1071704553.db2.gz YSEMJBKBPKUSOA-JOCHJYFZSA-N 1 1 480.682 3.803 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313999688 1071736496 /nfs/dbraw/zinc/73/64/96/1071736496.db2.gz PVUWRQFIIMWOTQ-HSZRJFAPSA-N 1 1 497.688 3.672 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001314014183 1071752997 /nfs/dbraw/zinc/75/29/97/1071752997.db2.gz OJLOHYAEWLXBOB-UHFFFAOYSA-N 1 1 469.634 3.519 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001314013378 1071750134 /nfs/dbraw/zinc/75/01/34/1071750134.db2.gz FMQPSLIUNIONOK-IBGZPJMESA-N 1 1 472.634 3.741 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314013403 1071750709 /nfs/dbraw/zinc/75/07/09/1071750709.db2.gz FTONXMLHSCVCQO-HXUWFJFHSA-N 1 1 471.650 3.698 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314016412 1071759676 /nfs/dbraw/zinc/75/96/76/1071759676.db2.gz GXKWRANKOLOJMP-FQEVSTJZSA-N 1 1 456.635 3.765 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001314019563 1071768962 /nfs/dbraw/zinc/76/89/62/1071768962.db2.gz KGENHDQZKXLBHD-UHFFFAOYSA-N 1 1 465.602 3.502 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314028848 1071796804 /nfs/dbraw/zinc/79/68/04/1071796804.db2.gz HOIRLXYGZLTZFE-UNMCSNQZSA-N 1 1 490.693 3.786 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314028777 1071796294 /nfs/dbraw/zinc/79/62/94/1071796294.db2.gz GRKORXRZDSGQGQ-RTWAWAEBSA-N 1 1 478.682 3.991 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001314035335 1071822419 /nfs/dbraw/zinc/82/24/19/1071822419.db2.gz XKIHNZMNTZWHTF-NHTMILBNSA-N 1 1 498.672 3.654 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314038573 1071835561 /nfs/dbraw/zinc/83/55/61/1071835561.db2.gz RHANMBPFYMZZAH-FUPPJEDESA-N 1 1 497.688 3.735 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314037835 1071831869 /nfs/dbraw/zinc/83/18/69/1071831869.db2.gz OLPOPUSIRUPSFG-IRLDBZIGSA-N 1 1 456.635 3.712 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001314038328 1071833938 /nfs/dbraw/zinc/83/39/38/1071833938.db2.gz XDPMPTYTYWNYJJ-IPMKNSEASA-N 1 1 488.608 3.755 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314045130 1071859317 /nfs/dbraw/zinc/85/93/17/1071859317.db2.gz YRFNONGIGUPLQH-GGAORHGYSA-N 1 1 498.672 3.866 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001314045649 1071861137 /nfs/dbraw/zinc/86/11/37/1071861137.db2.gz ROZWMLMEUSDAML-CLOONOSVSA-N 1 1 475.609 3.673 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001314053924 1071877243 /nfs/dbraw/zinc/87/72/43/1071877243.db2.gz DIIXHNOLPUBVGO-GMAHTHKFSA-N 1 1 471.646 3.528 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001314055120 1071880361 /nfs/dbraw/zinc/88/03/61/1071880361.db2.gz RVEKIZQSKUAROO-UHFFFAOYSA-N 1 1 495.672 3.653 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001314061060 1071897481 /nfs/dbraw/zinc/89/74/81/1071897481.db2.gz CVLUTPHFWLTXQB-WCIQWLHISA-N 1 1 475.638 3.757 20 0 JHADMO 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 1071905320 /nfs/dbraw/zinc/90/53/20/1071905320.db2.gz QIIRPERNZSWMCM-CEXWTWQISA-N 1 1 491.681 3.871 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073634 1071927274 /nfs/dbraw/zinc/92/72/74/1071927274.db2.gz FRYIUHHUPDQSES-FQRUVTKNSA-N 1 1 471.646 3.955 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC001314075321 1071931256 /nfs/dbraw/zinc/93/12/56/1071931256.db2.gz RAWNTQQPCDQLHJ-AMZDPNTKSA-N 1 1 489.636 3.624 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314083711 1071949358 /nfs/dbraw/zinc/94/93/58/1071949358.db2.gz SESIABZXOKTXDY-OHUGHZGNSA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001314094768 1071973513 /nfs/dbraw/zinc/97/35/13/1071973513.db2.gz QHZUGPUSYYPUCZ-GBXCKJPGSA-N 1 1 499.647 3.693 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001314094768 1071973522 /nfs/dbraw/zinc/97/35/22/1071973522.db2.gz QHZUGPUSYYPUCZ-GBXCKJPGSA-N 1 1 499.647 3.693 20 0 JHADMO CCO[C@]1(c2nnc(N3CC=C(COC)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314106335 1071997257 /nfs/dbraw/zinc/99/72/57/1071997257.db2.gz PYDTYAALEKGFMX-RCZVLFRGSA-N 1 1 490.048 3.669 20 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20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306297087 1068714650 /nfs/dbraw/zinc/71/46/50/1068714650.db2.gz MSWHBNXUZJBXKR-KCPMXOJXSA-N 1 1 455.647 3.846 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001306303605 1068720382 /nfs/dbraw/zinc/72/03/82/1068720382.db2.gz ZDYGIQAEYFDOGK-CBPXPLCBSA-N 1 1 490.693 3.943 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001306317549 1068738405 /nfs/dbraw/zinc/73/84/05/1068738405.db2.gz KRTPVQGMMUESIK-DEOSSOPVSA-N 1 1 452.647 3.523 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306318283 1068741442 /nfs/dbraw/zinc/74/14/42/1068741442.db2.gz FQWPUUYRQLITBX-CTNGQTDRSA-N 1 1 463.630 3.576 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306318340 1068741529 /nfs/dbraw/zinc/74/15/29/1068741529.db2.gz NGTDIYYXOCEHNR-HSZRJFAPSA-N 1 1 496.656 3.801 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 ZINC001306319293 1068744815 /nfs/dbraw/zinc/74/48/15/1068744815.db2.gz SKRKNFQPMASHEI-KRWDZBQOSA-N 1 1 478.435 3.817 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C)C1 ZINC001306319614 1068745989 /nfs/dbraw/zinc/74/59/89/1068745989.db2.gz VLDFKAJLVMTECJ-WMZOPIPTSA-N 1 1 465.440 3.536 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001306319775 1068746638 /nfs/dbraw/zinc/74/66/38/1068746638.db2.gz WOHXYNLIEBJHFK-RBBKRZOGSA-N 1 1 489.064 3.599 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001306319812 1068747268 /nfs/dbraw/zinc/74/72/68/1068747268.db2.gz XHZLDJWNUNFBRP-IRLDBZIGSA-N 1 1 487.718 3.626 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(C)noc1C ZINC001306321018 1068750061 /nfs/dbraw/zinc/75/00/61/1068750061.db2.gz AKJVSMCNHXMSQL-IBGZPJMESA-N 1 1 485.658 3.775 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)noc1C ZINC001306321032 1068750407 /nfs/dbraw/zinc/75/04/07/1068750407.db2.gz ALQDQTXXEPULFF-NRFANRHFSA-N 1 1 454.623 3.645 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306321194 1068751250 /nfs/dbraw/zinc/75/12/50/1068751250.db2.gz BNRMZVYNJIXWKJ-QFIPXVFZSA-N 1 1 486.636 3.613 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001306321195 1068751845 /nfs/dbraw/zinc/75/18/45/1068751845.db2.gz ZUAZTDVTYNHJOI-TZRRMPRUSA-N 1 1 496.700 3.886 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306322689 1068754459 /nfs/dbraw/zinc/75/44/59/1068754459.db2.gz ILCCDLDXRKCFRF-RTWAWAEBSA-N 1 1 470.687 3.845 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001306323544 1068757282 /nfs/dbraw/zinc/75/72/82/1068757282.db2.gz PJNLCGDPAUJJFK-PKOBYXMFSA-N 1 1 452.441 3.926 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001306323561 1068757464 /nfs/dbraw/zinc/75/74/64/1068757464.db2.gz PQFLZIDHNQQBRM-IBGZPJMESA-N 1 1 483.558 3.627 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324709 1068760484 /nfs/dbraw/zinc/76/04/84/1068760484.db2.gz VBDODBKFHOPIAA-IFMALSPDSA-N 1 1 469.678 3.915 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001306325377 1068762638 /nfs/dbraw/zinc/76/26/38/1068762638.db2.gz XQOGSXAEUTWRFM-FYYLOGMGSA-N 1 1 490.656 3.655 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 ZINC001306326140 1068763775 /nfs/dbraw/zinc/76/37/75/1068763775.db2.gz WUHNCTGCVNAABZ-YPAWHYETSA-N 1 1 475.678 3.851 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306326542 1068764508 /nfs/dbraw/zinc/76/45/08/1068764508.db2.gz ZFHFKEPCKZFSKG-QHAWAJNXSA-N 1 1 460.667 3.525 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001306337541 1068774253 /nfs/dbraw/zinc/77/42/53/1068774253.db2.gz QQPOLQFIBIILNS-MQSCRBSSSA-N 1 1 473.687 3.717 20 0 JHADMO CC[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)C1 ZINC001306342326 1068778536 /nfs/dbraw/zinc/77/85/36/1068778536.db2.gz NGQMGMYQPFBGDH-SFTDATJTSA-N 1 1 478.682 3.945 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306345117 1068781610 /nfs/dbraw/zinc/78/16/10/1068781610.db2.gz KHQPTVGTARYEFA-FUHWJXTLSA-N 1 1 478.435 3.816 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306359245 1068794420 /nfs/dbraw/zinc/79/44/20/1068794420.db2.gz RUAHTCRCWLCOAM-KDURUIRLSA-N 1 1 462.683 3.711 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306359245 1068794429 /nfs/dbraw/zinc/79/44/29/1068794429.db2.gz RUAHTCRCWLCOAM-KDURUIRLSA-N 1 1 462.683 3.711 20 0 JHADMO 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COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC001164701181 719869057 /nfs/dbraw/zinc/86/90/57/719869057.db2.gz FRVMGGQGONEQFY-IBVKSMDESA-N 1 1 464.541 3.669 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)nc2cc(F)cc(F)c21 ZINC001164707856 719877575 /nfs/dbraw/zinc/87/75/75/719877575.db2.gz WGJVBWCVZKDYFM-NYHFZMIOSA-N 1 1 453.917 3.708 20 0 JHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694946 719887982 /nfs/dbraw/zinc/88/79/82/719887982.db2.gz HXNQJMBNCILEJV-UHFFFAOYSA-N 1 1 457.978 3.674 20 0 JHADMO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)CC1 ZINC001164697559 719897777 /nfs/dbraw/zinc/89/77/77/719897777.db2.gz KXOOFJCQJWOUAU-UHFFFAOYSA-N 1 1 454.640 3.887 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CC2 ZINC001164716328 720109372 /nfs/dbraw/zinc/10/93/72/720109372.db2.gz KHRAQLOBFPDFHG-IBGZPJMESA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164715471 720117689 /nfs/dbraw/zinc/11/76/89/720117689.db2.gz FZJWSOCPJYIEOP-XMMPIXPASA-N 1 1 459.594 3.958 20 0 JHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164715499 720123291 /nfs/dbraw/zinc/12/32/91/720123291.db2.gz GLSDJXHTWFRGIJ-QGZVFWFLSA-N 1 1 494.423 3.863 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164716993 720125621 /nfs/dbraw/zinc/12/56/21/720125621.db2.gz MXSTVZCQUPNQLY-SFHVURJKSA-N 1 1 451.949 3.765 20 0 JHADMO CCOC(=O)c1c(C)cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1C ZINC001164717492 720125661 /nfs/dbraw/zinc/12/56/61/720125661.db2.gz PNTGWWGFZJNNFP-JOCHJYFZSA-N 1 1 452.599 3.778 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164714859 720139970 /nfs/dbraw/zinc/13/99/70/720139970.db2.gz ZWVZOPSPBKVCPK-RUZDIDTESA-N 1 1 477.653 3.856 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164713588 720141469 /nfs/dbraw/zinc/14/14/69/720141469.db2.gz SIFHQABIYVMXMP-RCZVLFRGSA-N 1 1 477.653 3.856 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC001164710805 720149605 /nfs/dbraw/zinc/14/96/05/720149605.db2.gz CVJMIDYXZHMQEW-GGAORHGYSA-N 1 1 450.631 3.615 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)CC2 ZINC001164711108 720149990 /nfs/dbraw/zinc/14/99/90/720149990.db2.gz FJXSIRZLFJFVGD-NRFANRHFSA-N 1 1 490.604 3.933 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164710836 720153119 /nfs/dbraw/zinc/15/31/19/720153119.db2.gz DNKJXROCIIYLPZ-GOSISDBHSA-N 1 1 480.991 3.643 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164714071 720157587 /nfs/dbraw/zinc/15/75/87/720157587.db2.gz OCGBUHPFPNDDAE-SFHVURJKSA-N 1 1 467.664 3.833 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820220 720176795 /nfs/dbraw/zinc/17/67/95/720176795.db2.gz ZUBAZLCGZLSAKG-HTAPYJJXSA-N 1 1 463.960 3.922 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CCC2 ZINC001164811669 720216232 /nfs/dbraw/zinc/21/62/32/720216232.db2.gz JLALOTYGWCTKBA-UHFFFAOYSA-N 1 1 480.922 3.774 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CCC2 ZINC001164814762 720224466 /nfs/dbraw/zinc/22/44/66/720224466.db2.gz YRYTWHJFEHCXGC-UHFFFAOYSA-N 1 1 498.990 3.934 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)C2)C1 ZINC001164722317 720286828 /nfs/dbraw/zinc/28/68/28/720286828.db2.gz PQYQDMMRJICOAS-NDEPHWFRSA-N 1 1 474.605 3.575 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)C2)C1 ZINC001164722317 720286841 /nfs/dbraw/zinc/28/68/41/720286841.db2.gz PQYQDMMRJICOAS-NDEPHWFRSA-N 1 1 474.605 3.575 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1)c1ccc(Cl)nc1 ZINC001164727658 720457168 /nfs/dbraw/zinc/45/71/68/720457168.db2.gz DWDJFQOAGWKMDS-LEWJYISDSA-N 1 1 487.988 3.923 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1)c1ccc(Cl)nc1 ZINC001164727658 720457173 /nfs/dbraw/zinc/45/71/73/720457173.db2.gz DWDJFQOAGWKMDS-LEWJYISDSA-N 1 1 487.988 3.923 20 0 JHADMO 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 720518988 /nfs/dbraw/zinc/51/89/88/720518988.db2.gz AYVFQHXJKAPFKO-FHWLQOOXSA-N 1 1 480.007 3.849 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837936 720532123 /nfs/dbraw/zinc/53/21/23/720532123.db2.gz MRBXBGZGKVCSON-SFHLNBCPSA-N 1 1 480.638 3.956 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835402 720537352 /nfs/dbraw/zinc/53/73/52/720537352.db2.gz HCHVPMAULJUEAB-XYJFISCASA-N 1 1 467.948 3.641 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835838 720543287 /nfs/dbraw/zinc/54/32/87/720543287.db2.gz IDGRSYXHUOFLCW-YESZJQIVSA-N 1 1 479.050 3.603 20 0 JHADMO 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 720578482 /nfs/dbraw/zinc/57/84/82/720578482.db2.gz FQOCLELYDUNPOV-ZRCGQRJVSA-N 1 1 498.672 3.932 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841492 720589184 /nfs/dbraw/zinc/58/91/84/720589184.db2.gz SIBOJECIBYXYOT-OWCLPIDISA-N 1 1 459.372 3.989 20 0 JHADMO 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 720589709 /nfs/dbraw/zinc/58/97/09/720589709.db2.gz BUXJSQMYIHWWSK-ZHALLVOQSA-N 1 1 467.948 3.641 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164838390 720713929 /nfs/dbraw/zinc/71/39/29/720713929.db2.gz IWFHMJMKSDAVIH-MRXNPFEDSA-N 1 1 462.932 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O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164851098 720803223 /nfs/dbraw/zinc/80/32/23/720803223.db2.gz XMROGNAAJPYGPD-NJDAHSKKSA-N 1 1 495.693 3.676 20 0 JHADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746096 720812492 /nfs/dbraw/zinc/81/24/92/720812492.db2.gz LUDAABQNOHCUAX-ABSDTBQOSA-N 1 1 473.959 3.799 20 0 JHADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743452 720812592 /nfs/dbraw/zinc/81/25/92/720812592.db2.gz FZXVJWPMKTVNOW-DJIMGWMZSA-N 1 1 457.356 3.904 20 0 JHADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164744110 720818777 /nfs/dbraw/zinc/81/87/77/720818777.db2.gz UFHUWQPCDGVJLJ-TXPKVOOTSA-N 1 1 491.949 3.938 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)c2c1C ZINC001164851002 720821620 /nfs/dbraw/zinc/82/16/20/720821620.db2.gz VQGIEAQIQBIJNP-AABGKKOBSA-N 1 1 485.654 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/nfs/dbraw/zinc/44/26/30/721442630.db2.gz QGPRKNWNRJDQEA-NLFFAJNJSA-N 1 1 480.638 3.626 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)c2c1C ZINC001164888429 721458624 /nfs/dbraw/zinc/45/86/24/721458624.db2.gz MDPYRHOEAVPSNU-SLFFLAALSA-N 1 1 469.655 3.556 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164784260 721458966 /nfs/dbraw/zinc/45/89/66/721458966.db2.gz HGPXAHIEIYJEKF-FQEVSTJZSA-N 1 1 460.688 3.811 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)n1 ZINC001164886499 721459473 /nfs/dbraw/zinc/45/94/73/721459473.db2.gz GWURQTCHLCESGJ-HKBOAZHASA-N 1 1 477.634 3.682 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164789389 721459549 /nfs/dbraw/zinc/45/95/49/721459549.db2.gz XPINBIKWWMHIHE-QFIPXVFZSA-N 1 1 459.631 3.771 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164786888 721460358 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WOTPUWNKCGKPHQ-FNZWTVRRSA-N 1 1 483.682 3.663 20 0 JHADMO O=C(C[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2)NCC1CC1 ZINC001164893399 721483611 /nfs/dbraw/zinc/48/36/11/721483611.db2.gz CRUIDAZTFJHZIY-WINIVTDRSA-N 1 1 495.693 3.535 20 0 JHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)n1 ZINC001164901172 721494393 /nfs/dbraw/zinc/49/43/93/721494393.db2.gz TTXPJRGARBXKPO-HSALFYBXSA-N 1 1 485.061 3.553 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164901449 721525245 /nfs/dbraw/zinc/52/52/45/721525245.db2.gz XJZAWBHUPLZFSU-RDJZCZTQSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809031 721537767 /nfs/dbraw/zinc/53/77/67/721537767.db2.gz UDRQKHYGYMZIHN-PQNGQFLHSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809031 721537769 /nfs/dbraw/zinc/53/77/69/721537769.db2.gz UDRQKHYGYMZIHN-PQNGQFLHSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164799001 721537988 /nfs/dbraw/zinc/53/79/88/721537988.db2.gz AHYXRVPYKUWMJE-PPJWLVRDSA-N 1 1 492.023 3.928 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164799001 721537992 /nfs/dbraw/zinc/53/79/92/721537992.db2.gz AHYXRVPYKUWMJE-PPJWLVRDSA-N 1 1 492.023 3.928 20 0 JHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164905206 721543053 /nfs/dbraw/zinc/54/30/53/721543053.db2.gz GOWIVGGEJBEKFP-QFBILLFUSA-N 1 1 459.884 3.937 20 0 JHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164905204 721543501 /nfs/dbraw/zinc/54/35/01/721543501.db2.gz GOWIVGGEJBEKFP-APWZRJJASA-N 1 1 459.884 3.937 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911355 721550752 /nfs/dbraw/zinc/55/07/52/721550752.db2.gz YYSQWTSPEOPHFF-ZJSXRUAMSA-N 1 1 488.563 3.727 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809001 721550920 /nfs/dbraw/zinc/55/09/20/721550920.db2.gz TWVCENFQVNAGMG-JXALWOEJSA-N 1 1 481.984 3.723 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809001 721550923 /nfs/dbraw/zinc/55/09/23/721550923.db2.gz TWVCENFQVNAGMG-JXALWOEJSA-N 1 1 481.984 3.723 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911330 721551033 /nfs/dbraw/zinc/55/10/33/721551033.db2.gz YYSQWTSPEOPHFF-QPPBQGQZSA-N 1 1 488.563 3.727 20 0 JHADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164909273 721552918 /nfs/dbraw/zinc/55/29/18/721552918.db2.gz UDKUJJFFYPEFAF-FYYLOGMGSA-N 1 1 458.537 3.766 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164802184 721560989 /nfs/dbraw/zinc/56/09/89/721560989.db2.gz HNPUEBCKILFRPH-KNKQGSTJSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164802184 721560994 /nfs/dbraw/zinc/56/09/94/721560994.db2.gz HNPUEBCKILFRPH-KNKQGSTJSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164803145 721563327 /nfs/dbraw/zinc/56/33/27/721563327.db2.gz JQADVIHIYVLVLT-UZKOGDIHSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164803145 721563330 /nfs/dbraw/zinc/56/33/30/721563330.db2.gz JQADVIHIYVLVLT-UZKOGDIHSA-N 1 1 458.990 3.954 20 0 JHADMO CCOC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804010 721563420 /nfs/dbraw/zinc/56/34/20/721563420.db2.gz KQYNCGPATSBCGS-GPXNEJASSA-N 1 1 463.582 3.620 20 0 JHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@H+]3C2)c1 ZINC001164903182 721568775 /nfs/dbraw/zinc/56/87/75/721568775.db2.gz BILKSODRZMXTCJ-ZFWWWQNUSA-N 1 1 469.920 3.852 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164810667 721569543 /nfs/dbraw/zinc/56/95/43/721569543.db2.gz ZTVVJBSVMGUDFB-HBMCJLEFSA-N 1 1 475.927 3.971 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164810667 721569545 /nfs/dbraw/zinc/56/95/45/721569545.db2.gz ZTVVJBSVMGUDFB-HBMCJLEFSA-N 1 1 475.927 3.971 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164808672 721573972 /nfs/dbraw/zinc/57/39/72/721573972.db2.gz VHIAESUAZWHBQH-AABGKKOBSA-N 1 1 480.943 3.720 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164808672 721573974 /nfs/dbraw/zinc/57/39/74/721573974.db2.gz VHIAESUAZWHBQH-AABGKKOBSA-N 1 1 480.943 3.720 20 0 JHADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2C1=O ZINC001164905063 721575455 /nfs/dbraw/zinc/57/54/55/721575455.db2.gz XYVGBEADRZZZDN-ROUUACIJSA-N 1 1 497.690 3.947 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806363 721576059 /nfs/dbraw/zinc/57/60/59/721576059.db2.gz QGANJPMFABZBSX-ZJOUEHCJSA-N 1 1 481.622 3.748 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806363 721576060 /nfs/dbraw/zinc/57/60/60/721576060.db2.gz QGANJPMFABZBSX-ZJOUEHCJSA-N 1 1 481.622 3.748 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164801556 721577694 /nfs/dbraw/zinc/57/76/94/721577694.db2.gz GVWRWCNCULAKNL-UBFVSLLYSA-N 1 1 452.562 3.955 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164801556 721577695 /nfs/dbraw/zinc/57/76/95/721577695.db2.gz GVWRWCNCULAKNL-UBFVSLLYSA-N 1 1 452.562 3.955 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@H]2CCCO[C@H]12 ZINC001164806838 721583631 /nfs/dbraw/zinc/58/36/31/721583631.db2.gz NCNAXXYWTBIRRG-OBTVHEKISA-N 1 1 473.577 3.568 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@H]2CCCO[C@H]12 ZINC001164806838 721583636 /nfs/dbraw/zinc/58/36/36/721583636.db2.gz NCNAXXYWTBIRRG-OBTVHEKISA-N 1 1 473.577 3.568 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904915 721586066 /nfs/dbraw/zinc/58/60/66/721586066.db2.gz HPZGQXPHSWMSSR-DEOSSOPVSA-N 1 1 467.520 3.939 20 0 JHADMO COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904114 721587341 /nfs/dbraw/zinc/58/73/41/721587341.db2.gz DFBDQABMHBQZAV-HSZRJFAPSA-N 1 1 453.493 3.549 20 0 JHADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801105 721588035 /nfs/dbraw/zinc/58/80/35/721588035.db2.gz DRTUGKLXLXPDLX-QTEQDKRBSA-N 1 1 450.974 3.764 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@H]2CCCO[C@@H]12 ZINC001164810889 721592165 /nfs/dbraw/zinc/59/21/65/721592165.db2.gz WQDWLJBRMASSJX-HDMKZQKVSA-N 1 1 480.972 3.634 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@H]2CCCO[C@@H]12 ZINC001164810889 721592166 /nfs/dbraw/zinc/59/21/66/721592166.db2.gz WQDWLJBRMASSJX-HDMKZQKVSA-N 1 1 480.972 3.634 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164804357 721603210 /nfs/dbraw/zinc/60/32/10/721603210.db2.gz YCIDKOLAOVFGPE-SDHSZQHLSA-N 1 1 463.626 3.586 20 0 JHADMO CCOC(=O)c1cc2cccnc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905520 721702201 /nfs/dbraw/zinc/70/22/01/721702201.db2.gz HBKMXJZZESCUJN-XMMPIXPASA-N 1 1 467.520 3.939 20 0 JHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1OCC ZINC001164907090 721702265 /nfs/dbraw/zinc/70/22/65/721702265.db2.gz RKLRHJVBLAWUGQ-QHCPKHFHSA-N 1 1 460.525 3.790 20 0 JHADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907652 721717715 /nfs/dbraw/zinc/71/77/15/721717715.db2.gz SHTXQITYMALAID-QQHIZMLBSA-N 1 1 467.520 3.882 20 0 JHADMO FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910507 721733258 /nfs/dbraw/zinc/73/32/58/721733258.db2.gz FODFIEXWUBBOQL-XMMPIXPASA-N 1 1 461.520 3.948 20 0 JHADMO COc1cccc(-c2cc(C(F)(F)N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(Cl)nn2)c1 ZINC001165012717 721750571 /nfs/dbraw/zinc/75/05/71/721750571.db2.gz MMNDAZNPNYGOGE-UHFFFAOYSA-N 1 1 493.986 3.874 20 0 JHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc-2n1 ZINC001164909009 721753861 /nfs/dbraw/zinc/75/38/61/721753861.db2.gz CBAFJYIPSMAPCO-UHFFFAOYSA-N 1 1 461.522 3.541 20 0 JHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc-2n1 ZINC001164909009 721753863 /nfs/dbraw/zinc/75/38/63/721753863.db2.gz CBAFJYIPSMAPCO-UHFFFAOYSA-N 1 1 461.522 3.541 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2COC[C@@H]12)C1CC1 ZINC001165015633 721763412 /nfs/dbraw/zinc/76/34/12/721763412.db2.gz TVKLEOYZIATIFJ-AABGKKOBSA-N 1 1 454.640 3.796 20 0 JHADMO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165019326 721779959 /nfs/dbraw/zinc/77/99/59/721779959.db2.gz KCZYGTITVFJNDO-GTNKKZTPSA-N 1 1 473.621 3.680 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@H]21 ZINC001165026810 721815741 /nfs/dbraw/zinc/81/57/41/721815741.db2.gz RKIWPNOYJHJBNR-QXAKKESOSA-N 1 1 477.440 3.752 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]21 ZINC001165026411 721820387 /nfs/dbraw/zinc/82/03/87/721820387.db2.gz PUVIOSUBPBPLNQ-WUMKDDEVSA-N 1 1 493.633 3.804 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026699 721824935 /nfs/dbraw/zinc/82/49/35/721824935.db2.gz PNFOHWPLWCKHJZ-AJSBUHFISA-N 1 1 471.671 3.680 20 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Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)COc4ccc(Cl)nn4)CC3)C2)cc1 ZINC001164940689 721931327 /nfs/dbraw/zinc/93/13/27/721931327.db2.gz XBYAMDIPJWLVAE-UHFFFAOYSA-N 1 1 452.933 3.777 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n1 ZINC001164949615 721956460 /nfs/dbraw/zinc/95/64/60/721956460.db2.gz VBUBVXROIJBOMC-NHCUHLMSSA-N 1 1 484.670 3.844 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164961071 722041916 /nfs/dbraw/zinc/04/19/16/722041916.db2.gz LDSSAGFEDGLXID-WSTZPKSXSA-N 1 1 494.665 3.940 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963199 722054957 /nfs/dbraw/zinc/05/49/57/722054957.db2.gz IHMYAKVVBXBSGH-UHFFFAOYSA-N 1 1 480.943 3.581 20 0 JHADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1)C1CC1 ZINC001164960759 722059330 /nfs/dbraw/zinc/05/93/30/722059330.db2.gz KNCRGAMLRLJDBH-DEOSSOPVSA-N 1 1 464.610 3.652 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164984372 722107518 /nfs/dbraw/zinc/10/75/18/722107518.db2.gz SWKVPPXPLJJGPV-FUHWJXTLSA-N 1 1 465.381 3.687 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980423 722108159 /nfs/dbraw/zinc/10/81/59/722108159.db2.gz RDWBQRFVTGJEOT-FCHUYYIVSA-N 1 1 490.011 3.650 20 0 JHADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974035 722124550 /nfs/dbraw/zinc/12/45/50/722124550.db2.gz IHJCXFISMAPKKL-ZCYQVOJMSA-N 1 1 454.578 3.602 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980311 722133008 /nfs/dbraw/zinc/13/30/08/722133008.db2.gz MRORRJGGPOWADL-LAUBAEHRSA-N 1 1 475.927 3.830 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164982658 722137232 /nfs/dbraw/zinc/13/72/32/722137232.db2.gz RWLRJZZFGINIAE-PXNSSMCTSA-N 1 1 480.943 3.579 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981496 722137735 /nfs/dbraw/zinc/13/77/35/722137735.db2.gz OZSNRPSZGHSSSJ-SIKLNZKXSA-N 1 1 481.984 3.582 20 0 JHADMO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164985483 722143687 /nfs/dbraw/zinc/14/36/87/722143687.db2.gz ZPOZKSBFSBZLDD-XXBNENTESA-N 1 1 470.017 3.530 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977017 722145971 /nfs/dbraw/zinc/14/59/71/722145971.db2.gz HOAWNZITAHUMGR-AZUAARDMSA-N 1 1 486.954 3.859 20 0 JHADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974046 722151585 /nfs/dbraw/zinc/15/15/85/722151585.db2.gz OFBIINIEXPORLD-RTWAWAEBSA-N 1 1 450.974 3.623 20 0 JHADMO COc1ccc(Oc2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972476 722152829 /nfs/dbraw/zinc/15/28/29/722152829.db2.gz IAEPDGCAKQZGPF-URXFXBBRSA-N 1 1 461.566 3.708 20 0 JHADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972243 722153813 /nfs/dbraw/zinc/15/38/13/722153813.db2.gz HNNXDBHQVXCLPJ-RDJZCZTQSA-N 1 1 459.324 3.935 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164994981 722204296 /nfs/dbraw/zinc/20/42/96/722204296.db2.gz KDDFZZKZXNRIMS-AREMUKBSSA-N 1 1 467.589 3.640 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164994983 722204413 /nfs/dbraw/zinc/20/44/13/722204413.db2.gz KDDFZZKZXNRIMS-SANMLTNESA-N 1 1 467.589 3.640 20 0 JHADMO CC(=O)Oc1cc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1OC(C)=O ZINC001164995287 722205235 /nfs/dbraw/zinc/20/52/35/722205235.db2.gz MBNXUEXIWXCWHP-AREMUKBSSA-N 1 1 478.524 3.864 20 0 JHADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@H]2C1 ZINC001164996140 722215777 /nfs/dbraw/zinc/21/57/77/722215777.db2.gz LXVHHXKFVRODBF-YSIASYRMSA-N 1 1 483.682 3.674 20 0 JHADMO O=C1C[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998982 722220149 /nfs/dbraw/zinc/22/01/49/722220149.db2.gz NLXLGNAASGXTKR-XMMPIXPASA-N 1 1 454.958 3.693 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H](OCCOC)[C@H]2Cc2cnn(C)c2)n1 ZINC001164999680 722224734 /nfs/dbraw/zinc/22/47/34/722224734.db2.gz OADAMBFQFGMMGA-RTWAWAEBSA-N 1 1 486.686 3.736 20 0 JHADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CCC2 ZINC001164999403 722228376 /nfs/dbraw/zinc/22/83/76/722228376.db2.gz MUCVTOCPASXPRE-UHFFFAOYSA-N 1 1 493.681 3.799 20 0 JHADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CCC2 ZINC001164998954 722228385 /nfs/dbraw/zinc/22/83/85/722228385.db2.gz GIJYIILAZPVKKO-UHFFFAOYSA-N 1 1 475.622 3.663 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(F)cc2)CC[N@H+]1CCOC ZINC001306623327 1069314517 /nfs/dbraw/zinc/31/45/17/1069314517.db2.gz BYSJZZSXFPWACO-XZOQPEGZSA-N 1 1 459.610 3.839 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306623381 1069315007 /nfs/dbraw/zinc/31/50/07/1069315007.db2.gz RSRALUTVROPTLA-CPJSRVTESA-N 1 1 491.080 3.872 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001306623195 1069315050 /nfs/dbraw/zinc/31/50/50/1069315050.db2.gz HMLMNDKNGZSNSZ-OAQYLSRUSA-N 1 1 452.578 3.773 20 0 JHADMO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281846 1069315196 /nfs/dbraw/zinc/31/51/96/1069315196.db2.gz IEXVIPBPFIHCNY-YLJYHZDGSA-N 1 1 459.388 3.666 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](CC)C2CC2)CCO1 ZINC001306625024 1069318784 /nfs/dbraw/zinc/31/87/84/1069318784.db2.gz NDRUZQBEXIWATI-JOCHJYFZSA-N 1 1 490.693 3.882 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001306627481 1069323802 /nfs/dbraw/zinc/32/38/02/1069323802.db2.gz UOWYFNFPEXBMKU-YADHBBJMSA-N 1 1 477.600 3.539 20 0 JHADMO COc1ccc([C@@H]2CN(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001311342154 1069330121 /nfs/dbraw/zinc/33/01/21/1069330121.db2.gz BWAHXNZMOGJKRP-VOQZNFBZSA-N 1 1 471.602 3.539 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC[N@H+]1CCOC ZINC001306632002 1069332964 /nfs/dbraw/zinc/33/29/64/1069332964.db2.gz VROMGCVUSZLBLP-VXKWHMMOSA-N 1 1 471.694 3.886 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC001311359208 1069342925 /nfs/dbraw/zinc/34/29/25/1069342925.db2.gz VYMNUDMMZMNBHC-FQEVSTJZSA-N 1 1 454.615 3.710 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001306635783 1069343848 /nfs/dbraw/zinc/34/38/48/1069343848.db2.gz SMSWALRHTGVWFK-WOJBJXKFSA-N 1 1 455.651 3.916 20 0 JHADMO Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311361310 1069345047 /nfs/dbraw/zinc/34/50/47/1069345047.db2.gz HJESBKWXTLGTSB-OXQOHEQNSA-N 1 1 451.974 3.525 20 0 JHADMO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001311376955 1069351008 /nfs/dbraw/zinc/35/10/08/1069351008.db2.gz MPWKFTAXRBDLON-NOOIUNMQSA-N 1 1 450.627 3.973 20 0 JHADMO CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306641425 1069351969 /nfs/dbraw/zinc/35/19/69/1069351969.db2.gz KWXOHAPYBRQWQS-IYBDPMFKSA-N 1 1 453.429 3.771 20 0 JHADMO CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306641425 1069351979 /nfs/dbraw/zinc/35/19/79/1069351979.db2.gz KWXOHAPYBRQWQS-IYBDPMFKSA-N 1 1 453.429 3.771 20 0 JHADMO CC(C)C[C@H](C)Oc1cc(CNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC001311378215 1069351968 /nfs/dbraw/zinc/35/19/68/1069351968.db2.gz YBRKBFXSVPDBKD-YADHBBJMSA-N 1 1 453.631 3.905 20 0 JHADMO CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001306648755 1069360709 /nfs/dbraw/zinc/36/07/09/1069360709.db2.gz DWKXMSGGTFUOGK-HFZDXXHNSA-N 1 1 490.693 3.884 20 0 JHADMO C[C@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001311396581 1069361248 /nfs/dbraw/zinc/36/12/48/1069361248.db2.gz AYIZGAQVZREWJB-QZTJIDSGSA-N 1 1 457.537 3.785 20 0 JHADMO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306654241 1069365613 /nfs/dbraw/zinc/36/56/13/1069365613.db2.gz HMXPESLSWJXCPI-RDGATRHJSA-N 1 1 466.674 3.632 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@H]21 ZINC001311405483 1069364049 /nfs/dbraw/zinc/36/40/49/1069364049.db2.gz WICIJDLZRLNQIS-DNVJHFABSA-N 1 1 456.631 3.770 20 0 JHADMO CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306654680 1069366478 /nfs/dbraw/zinc/36/64/78/1069366478.db2.gz QZSYSNWBMLCQDB-ZEQRLZLVSA-N 1 1 467.706 3.752 20 0 JHADMO CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306654680 1069366490 /nfs/dbraw/zinc/36/64/90/1069366490.db2.gz QZSYSNWBMLCQDB-ZEQRLZLVSA-N 1 1 467.706 3.752 20 0 JHADMO CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422775 1069370794 /nfs/dbraw/zinc/37/07/94/1069370794.db2.gz JPVSXOMTENVNCA-XPWALMASSA-N 1 1 456.656 3.724 20 0 JHADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422775 1069370802 /nfs/dbraw/zinc/37/08/02/1069370802.db2.gz JPVSXOMTENVNCA-XPWALMASSA-N 1 1 456.656 3.724 20 0 JHADMO CC1(C)C[C@@H](NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2O1 ZINC001311421926 1069369110 /nfs/dbraw/zinc/36/91/10/1069369110.db2.gz GFXRMXBQOIVFTE-HSZRJFAPSA-N 1 1 454.590 3.935 20 0 JHADMO C[N@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422775 1069370810 /nfs/dbraw/zinc/37/08/10/1069370810.db2.gz JPVSXOMTENVNCA-XPWALMASSA-N 1 1 456.656 3.724 20 0 JHADMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001311431249 1069377057 /nfs/dbraw/zinc/37/70/57/1069377057.db2.gz BWENVDWBCITKKM-HXUWFJFHSA-N 1 1 455.416 3.756 20 0 JHADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCCSc2ccccc2Br)C1 ZINC001311442902 1069382157 /nfs/dbraw/zinc/38/21/57/1069382157.db2.gz WBPXPMDFPPQGFV-KRWDZBQOSA-N 1 1 458.466 3.977 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306664896 1069390387 /nfs/dbraw/zinc/39/03/87/1069390387.db2.gz WKGWJHFLFAZABB-NRFANRHFSA-N 1 1 496.704 3.721 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NC2CCCCC2)CC1 ZINC001306677864 1069401872 /nfs/dbraw/zinc/40/18/72/1069401872.db2.gz CMYWSDVHQBVFLR-QHCPKHFHSA-N 1 1 474.694 3.917 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001306677927 1069402608 /nfs/dbraw/zinc/40/26/08/1069402608.db2.gz FJZYBCJUMSWWBS-UHFFFAOYSA-N 1 1 492.672 3.882 20 0 JHADMO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001306679366 1069405100 /nfs/dbraw/zinc/40/51/00/1069405100.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 1 1 467.662 3.554 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001306679366 1069405106 /nfs/dbraw/zinc/40/51/06/1069405106.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 1 1 467.662 3.554 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@H](C)O1 ZINC001311495823 1069405725 /nfs/dbraw/zinc/40/57/25/1069405725.db2.gz INKBSVBXCNMHQR-TYBLODHISA-N 1 1 451.611 3.999 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001306679786 1069406038 /nfs/dbraw/zinc/40/60/38/1069406038.db2.gz KZKBUWOMZWXUJF-QHCPKHFHSA-N 1 1 468.646 3.737 20 0 JHADMO Cc1cc([C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCN(C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496682 1069406392 /nfs/dbraw/zinc/40/63/92/1069406392.db2.gz OMXCHYVYISIYCW-OAQYLSRUSA-N 1 1 457.018 3.801 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 ZINC001306680118 1069406441 /nfs/dbraw/zinc/40/64/41/1069406441.db2.gz PMFVDMWFNUTJOR-SANMLTNESA-N 1 1 458.695 3.826 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306680169 1069406499 /nfs/dbraw/zinc/40/64/99/1069406499.db2.gz UYMFAFFCTPWQCS-UHFFFAOYSA-N 1 1 491.677 3.857 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306680223 1069407105 /nfs/dbraw/zinc/40/71/05/1069407105.db2.gz BIWZFKPBFPJDEE-RTBURBONSA-N 1 1 477.053 3.860 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 ZINC001306680346 1069407121 /nfs/dbraw/zinc/40/71/21/1069407121.db2.gz WSGBDSUEKLZQJL-NRFANRHFSA-N 1 1 474.600 3.698 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306681035 1069408344 /nfs/dbraw/zinc/40/83/44/1069408344.db2.gz HCGRIOFXOWILSK-UHFFFAOYSA-N 1 1 485.551 3.588 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306680599 1069407693 /nfs/dbraw/zinc/40/76/93/1069407693.db2.gz QXJVRIVLNBYMCC-LEWJYISDSA-N 1 1 486.627 3.962 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001306681858 1069411992 /nfs/dbraw/zinc/41/19/92/1069411992.db2.gz VTPCZUPTBOFAMW-UUOWRZLLSA-N 1 1 479.572 3.663 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680956 1069409222 /nfs/dbraw/zinc/40/92/22/1069409222.db2.gz WQKAJGFYFCOWJO-QFQXNSOFSA-N 1 1 473.637 3.777 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H]1C ZINC001306682170 1069412625 /nfs/dbraw/zinc/41/26/25/1069412625.db2.gz BJKKXZDAVWJPFC-HNNXBMFYSA-N 1 1 454.388 3.804 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001306683549 1069417376 /nfs/dbraw/zinc/41/73/76/1069417376.db2.gz WKOLTIOFAZNAND-SIKLNZKXSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306682781 1069414750 /nfs/dbraw/zinc/41/47/50/1069414750.db2.gz KXFTUNKMMCZXTO-RTWAWAEBSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001306682868 1069415181 /nfs/dbraw/zinc/41/51/81/1069415181.db2.gz OXCKVGSSCWTKJJ-UHFFFAOYSA-N 1 1 481.689 3.967 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C1 ZINC001306683811 1069418013 /nfs/dbraw/zinc/41/80/13/1069418013.db2.gz AZQMZXZREMDMHL-IBGZPJMESA-N 1 1 451.619 3.814 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306683855 1069418583 /nfs/dbraw/zinc/41/85/83/1069418583.db2.gz CCMICOPMDSIVBM-HXUWFJFHSA-N 1 1 465.646 3.899 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306683854 1069418610 /nfs/dbraw/zinc/41/86/10/1069418610.db2.gz CCMICOPMDSIVBM-FQEVSTJZSA-N 1 1 465.646 3.899 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306684074 1069418667 /nfs/dbraw/zinc/41/86/67/1069418667.db2.gz HWXBWZNQGQOSKY-RBBKRZOGSA-N 1 1 483.661 3.812 20 0 JHADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1ccccc1OC(F)F ZINC001311518475 1069419936 /nfs/dbraw/zinc/41/99/36/1069419936.db2.gz WVPMPMIQWRWJBW-UHFFFAOYSA-N 1 1 452.933 3.953 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306684943 1069420005 /nfs/dbraw/zinc/42/00/05/1069420005.db2.gz UOLHCOQQXJQAJO-UHFFFAOYSA-N 1 1 465.646 3.853 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001306685863 1069421283 /nfs/dbraw/zinc/42/12/83/1069421283.db2.gz MGZADSFWDXTDHU-QFIPXVFZSA-N 1 1 492.709 3.987 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001306686018 1069422104 /nfs/dbraw/zinc/42/21/04/1069422104.db2.gz PFZVGCBSELCOAR-IBGZPJMESA-N 1 1 462.038 3.655 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001306686062 1069422116 /nfs/dbraw/zinc/42/21/16/1069422116.db2.gz QNCYLVDQKUWNKX-QHCPKHFHSA-N 1 1 474.694 3.523 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306686185 1069422409 /nfs/dbraw/zinc/42/24/09/1069422409.db2.gz SEYBJYNJONSVTF-LAUBAEHRSA-N 1 1 466.001 3.884 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001306686585 1069422497 /nfs/dbraw/zinc/42/24/97/1069422497.db2.gz DLVQSKPJJDLNFC-FQEVSTJZSA-N 1 1 455.582 3.815 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306686468 1069423269 /nfs/dbraw/zinc/42/32/69/1069423269.db2.gz VQUBQJIBLPTSNJ-SFTDATJTSA-N 1 1 458.626 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306689490 1069427310 /nfs/dbraw/zinc/42/73/10/1069427310.db2.gz XDAXAZJZKCNDPI-UHFFFAOYSA-N 1 1 485.677 3.528 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001306687561 1069424518 /nfs/dbraw/zinc/42/45/18/1069424518.db2.gz LSWIJPCZERJPNZ-UHFFFAOYSA-N 1 1 450.587 3.561 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306687793 1069424548 /nfs/dbraw/zinc/42/45/48/1069424548.db2.gz KJKGJAUPGGABSE-FXAWDEMLSA-N 1 1 491.706 3.715 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306688667 1069425816 /nfs/dbraw/zinc/42/58/16/1069425816.db2.gz QZUQUXLHKYWITI-UHFFFAOYSA-N 1 1 497.688 3.544 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306689423 1069426559 /nfs/dbraw/zinc/42/65/59/1069426559.db2.gz WRACPVWCQRDHHO-OAQYLSRUSA-N 1 1 465.621 3.850 20 0 JHADMO CCCC[N@@H+](C)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306689489 1069426632 /nfs/dbraw/zinc/42/66/32/1069426632.db2.gz XCPLCPHXQCZBPA-VWLOTQADSA-N 1 1 463.667 3.590 20 0 JHADMO CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001306691835 1069429139 /nfs/dbraw/zinc/42/91/39/1069429139.db2.gz MSEJWLBGKJDXJQ-QHCPKHFHSA-N 1 1 451.619 3.596 20 0 JHADMO Cc1cccc(C(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c2cccc(C)c2)c1 ZINC001311537903 1069429804 /nfs/dbraw/zinc/42/98/04/1069429804.db2.gz WSMLDTZAKMTMFJ-UHFFFAOYSA-N 1 1 458.610 3.694 20 0 JHADMO CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001306703180 1069439039 /nfs/dbraw/zinc/43/90/39/1069439039.db2.gz JJXWAPLYUOICCY-UHFFFAOYSA-N 1 1 491.478 3.888 20 0 JHADMO CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001306703180 1069439047 /nfs/dbraw/zinc/43/90/47/1069439047.db2.gz JJXWAPLYUOICCY-UHFFFAOYSA-N 1 1 491.478 3.888 20 0 JHADMO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311592470 1069454852 /nfs/dbraw/zinc/45/48/52/1069454852.db2.gz FFNWASQBRJGBPG-UIOOFZCWSA-N 1 1 450.627 3.804 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722224 1069459609 /nfs/dbraw/zinc/45/96/09/1069459609.db2.gz IYJDZEZXTAJNQL-IRLDBZIGSA-N 1 1 486.636 3.880 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001306722749 1069461617 /nfs/dbraw/zinc/46/16/17/1069461617.db2.gz NQOOIQXUTLAMTE-QFIPXVFZSA-N 1 1 489.064 3.548 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 ZINC001306723275 1069462290 /nfs/dbraw/zinc/46/22/90/1069462290.db2.gz QORPSJWAUQEADP-MOPGFXCFSA-N 1 1 457.648 3.522 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306725223 1069466479 /nfs/dbraw/zinc/46/64/79/1069466479.db2.gz BFFULBMTVLFIAZ-QHCPKHFHSA-N 1 1 497.688 3.976 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001306723345 1069463464 /nfs/dbraw/zinc/46/34/64/1069463464.db2.gz RSZJAGRXEFACGB-QFQXNSOFSA-N 1 1 483.661 3.975 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723510 1069463633 /nfs/dbraw/zinc/46/36/33/1069463633.db2.gz SRXINPPTCOBOMW-XUVXKRRUSA-N 1 1 465.664 3.759 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306723589 1069464160 /nfs/dbraw/zinc/46/41/60/1069464160.db2.gz SGPZUNAXGMSYAE-FQEVSTJZSA-N 1 1 451.681 3.604 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001306724543 1069465340 /nfs/dbraw/zinc/46/53/40/1069465340.db2.gz YSHHOOGOFRSLNJ-GOSISDBHSA-N 1 1 468.042 3.961 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306725437 1069466516 /nfs/dbraw/zinc/46/65/16/1069466516.db2.gz DHQLIVCRRFQRKG-QFIPXVFZSA-N 1 1 494.688 3.522 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306722826 1069461836 /nfs/dbraw/zinc/46/18/36/1069461836.db2.gz LMRBKDZECLTTIP-RTBURBONSA-N 1 1 459.038 3.955 20 0 JHADMO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306725888 1069467767 /nfs/dbraw/zinc/46/77/67/1069467767.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 1 1 459.708 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306725888 1069467772 /nfs/dbraw/zinc/46/77/72/1069467772.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 1 1 459.708 3.819 20 0 JHADMO Cn1ccnc1C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC001311620353 1069471138 /nfs/dbraw/zinc/47/11/38/1069471138.db2.gz RJVHBMJWAFSODW-HSZRJFAPSA-N 1 1 453.537 3.946 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306727398 1069472147 /nfs/dbraw/zinc/47/21/47/1069472147.db2.gz RCVMIFQWLGSLJV-GOTSBHOMSA-N 1 1 474.694 3.869 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1 ZINC001306727550 1069472230 /nfs/dbraw/zinc/47/22/30/1069472230.db2.gz DSAOXCSJFUXTGM-ZCNNSNEGSA-N 1 1 455.594 3.892 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001306729270 1069477666 /nfs/dbraw/zinc/47/76/66/1069477666.db2.gz LRZNSRHSBZUTDU-YKSBVNFPSA-N 1 1 454.663 3.996 20 0 JHADMO CC(C)N1CC[NH+](C2CCN(C(=O)NCc3cccc(NC(=O)C4CCCC4)c3)CC2)CC1 ZINC001311638543 1069483939 /nfs/dbraw/zinc/48/39/39/1069483939.db2.gz WGFLXACZDHWACH-UHFFFAOYSA-N 1 1 455.647 3.515 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306731057 1069484443 /nfs/dbraw/zinc/48/44/43/1069484443.db2.gz OKGYZMKNMYSJHZ-PKTZIBPZSA-N 1 1 482.673 3.795 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001311652606 1069489749 /nfs/dbraw/zinc/48/97/49/1069489749.db2.gz CSZDCPPTNIUMIC-YOFSQIOKSA-N 1 1 454.575 3.648 20 0 JHADMO CCc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 ZINC001311662803 1069492730 /nfs/dbraw/zinc/49/27/30/1069492730.db2.gz AOGPEDGRIVBOTE-UHFFFAOYSA-N 1 1 457.578 3.924 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306733505 1069493312 /nfs/dbraw/zinc/49/33/12/1069493312.db2.gz ZBHISBWHMDRODX-OTPAQWSUSA-N 1 1 463.667 3.589 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001306734116 1069495501 /nfs/dbraw/zinc/49/55/01/1069495501.db2.gz ANDOVELCWMDTMR-FPOVZHCZSA-N 1 1 488.080 3.858 20 0 JHADMO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@H]1c1ccc(F)cc1 ZINC001311664895 1069493952 /nfs/dbraw/zinc/49/39/52/1069493952.db2.gz NLBXPBJHWQGJJB-DHIUTWEWSA-N 1 1 450.514 3.593 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306733763 1069495053 /nfs/dbraw/zinc/49/50/53/1069495053.db2.gz ZRHUXLJTOUBUKO-PZJWPPBQSA-N 1 1 488.702 3.785 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)Cc2ccccc21 ZINC001311701117 1069510257 /nfs/dbraw/zinc/51/02/57/1069510257.db2.gz NATPLEXAJVGESO-IBGZPJMESA-N 1 1 456.612 3.772 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)Cc2ccccc21 ZINC001311701117 1069510265 /nfs/dbraw/zinc/51/02/65/1069510265.db2.gz NATPLEXAJVGESO-IBGZPJMESA-N 1 1 456.612 3.772 20 0 JHADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N[C@H]1COc2cc(F)cc(F)c21 ZINC001311711745 1069514026 /nfs/dbraw/zinc/51/40/26/1069514026.db2.gz ZHISOMRMYRAANJ-SFHVURJKSA-N 1 1 450.917 3.563 20 0 JHADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714693 1069516037 /nfs/dbraw/zinc/51/60/37/1069516037.db2.gz SMZNSOWKUIHIQX-YKSBVNFPSA-N 1 1 450.583 3.922 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306741076 1069516182 /nfs/dbraw/zinc/51/61/82/1069516182.db2.gz ZAVQDTIZGHSMBA-UXHICEINSA-N 1 1 456.610 3.701 20 0 JHADMO CC[C@H]1Oc2cc([C@H](C)NC(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)ccc2NC1=O ZINC001311719872 1069518473 /nfs/dbraw/zinc/51/84/73/1069518473.db2.gz DQNBQVGXRABFLC-HTAPYJJXSA-N 1 1 450.583 3.993 20 0 JHADMO CC(C)(CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[N@H+]1CCc2ccccc2C1 ZINC001311719932 1069518846 /nfs/dbraw/zinc/51/88/46/1069518846.db2.gz HAKAVOFVBADVKX-NRFANRHFSA-N 1 1 458.965 3.721 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001306743454 1069522284 /nfs/dbraw/zinc/52/22/84/1069522284.db2.gz JEDFECRWGFUISS-DNQXCXABSA-N 1 1 481.689 3.517 20 0 JHADMO COc1ccc(C2=NO[C@@H](CNC(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC001311745591 1069531191 /nfs/dbraw/zinc/53/11/91/1069531191.db2.gz CWDXXTSJULGEPC-TZIWHRDSSA-N 1 1 454.546 3.539 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C[C@@H](C)OC)cc1OC ZINC001306747462 1069534699 /nfs/dbraw/zinc/53/46/99/1069534699.db2.gz RECZSOUCIXEPCP-ZVDOUQERSA-N 1 1 457.619 3.840 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@H](C)OC)cc1OC ZINC001306747459 1069534854 /nfs/dbraw/zinc/53/48/54/1069534854.db2.gz RECZSOUCIXEPCP-DYXWJJEUSA-N 1 1 457.619 3.840 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760444 1069535946 /nfs/dbraw/zinc/53/59/46/1069535946.db2.gz COFSTDVUBQVWGK-SQJMNOBHSA-N 1 1 454.590 3.505 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCC[C@H]3CC)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001306749026 1069540197 /nfs/dbraw/zinc/54/01/97/1069540197.db2.gz ONJPOIUCRRLESI-CJFMBICVSA-N 1 1 457.619 3.578 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCC[C@@H]3CC)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001306749029 1069540657 /nfs/dbraw/zinc/54/06/57/1069540657.db2.gz ONJPOIUCRRLESI-NBGIEHNGSA-N 1 1 457.619 3.578 20 0 JHADMO C[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC001311791413 1069546352 /nfs/dbraw/zinc/54/63/52/1069546352.db2.gz JTIWNHDXUCYSGY-ROUUACIJSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC001311791413 1069546370 /nfs/dbraw/zinc/54/63/70/1069546370.db2.gz JTIWNHDXUCYSGY-ROUUACIJSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001311792299 1069546871 /nfs/dbraw/zinc/54/68/71/1069546871.db2.gz CDQBWZLKIPMHAW-ZHALLVOQSA-N 1 1 450.649 3.830 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001311792299 1069546882 /nfs/dbraw/zinc/54/68/82/1069546882.db2.gz CDQBWZLKIPMHAW-ZHALLVOQSA-N 1 1 450.649 3.830 20 0 JHADMO CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306759022 1069557855 /nfs/dbraw/zinc/55/78/55/1069557855.db2.gz QEYXHXJKMFVKNQ-NHCUHLMSSA-N 1 1 495.672 3.972 20 0 JHADMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819244 1069559361 /nfs/dbraw/zinc/55/93/61/1069559361.db2.gz HSGLXZZLGMBGNM-NFBKMPQASA-N 1 1 453.606 3.554 20 0 JHADMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819244 1069559369 /nfs/dbraw/zinc/55/93/69/1069559369.db2.gz HSGLXZZLGMBGNM-NFBKMPQASA-N 1 1 453.606 3.554 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001311823099 1069562043 /nfs/dbraw/zinc/56/20/43/1069562043.db2.gz FEMDYBNBLHYIEU-LJQANCHMSA-N 1 1 459.388 3.612 20 0 JHADMO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001306765912 1069567628 /nfs/dbraw/zinc/56/76/28/1069567628.db2.gz YIWMIHKRXYNHNA-SFHVURJKSA-N 1 1 451.619 3.549 20 0 JHADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC001311830571 1069568101 /nfs/dbraw/zinc/56/81/01/1069568101.db2.gz FIFMUAAILQTEHW-RUZDIDTESA-N 1 1 457.578 3.792 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311837940 1069572603 /nfs/dbraw/zinc/57/26/03/1069572603.db2.gz MSSTXLSRAJOMQQ-KRWDZBQOSA-N 1 1 451.409 3.792 20 0 JHADMO CCCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001306777566 1069573232 /nfs/dbraw/zinc/57/32/32/1069573232.db2.gz OWJHYDBRTJPUCM-UHFFFAOYSA-N 1 1 466.424 3.577 20 0 JHADMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)C1 ZINC001306779691 1069575854 /nfs/dbraw/zinc/57/58/54/1069575854.db2.gz IMAKEMZMMPIDIF-RUZDIDTESA-N 1 1 481.733 3.562 20 0 JHADMO 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CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001307054884 1069818615 /nfs/dbraw/zinc/81/86/15/1069818615.db2.gz NZNWNYNNOGYMCL-UYAOXDASSA-N 1 1 477.053 3.878 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O ZINC001307054740 1069817647 /nfs/dbraw/zinc/81/76/47/1069817647.db2.gz LEVAFNISEXJNMC-OAQYLSRUSA-N 1 1 484.670 3.629 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC ZINC001307055261 1069821367 /nfs/dbraw/zinc/82/13/67/1069821367.db2.gz ORPIKZPVJLLWOL-LEWJYISDSA-N 1 1 459.660 3.992 20 0 JHADMO O=C(NC[C@H]1CCC12CCOCC2)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312265930 1069823039 /nfs/dbraw/zinc/82/30/39/1069823039.db2.gz HYEYUQYEVDHQNF-GOSISDBHSA-N 1 1 450.421 3.920 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307055393 1069820496 /nfs/dbraw/zinc/82/04/96/1069820496.db2.gz PGPPZGKXAISHKI-FDFHNCONSA-N 1 1 498.672 3.748 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001307056008 1069825447 /nfs/dbraw/zinc/82/54/47/1069825447.db2.gz SGOJXZPLCGERAJ-WIYYLYMNSA-N 1 1 459.038 3.972 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056151 1069825503 /nfs/dbraw/zinc/82/55/03/1069825503.db2.gz CFGDAFOSEOAOCZ-PZJWPPBQSA-N 1 1 480.078 3.735 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057233 1069833165 /nfs/dbraw/zinc/83/31/65/1069833165.db2.gz XBSMWUZMYSIPFE-AKHDSKFASA-N 1 1 461.573 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056991 1069830771 /nfs/dbraw/zinc/83/07/71/1069830771.db2.gz UKLNBEFLEQESCD-DHIUTWEWSA-N 1 1 498.672 3.940 20 0 JHADMO CCOc1ccccc1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001314210424 1069832292 /nfs/dbraw/zinc/83/22/92/1069832292.db2.gz OJXZGXQXFHUOQC-OAQYLSRUSA-N 1 1 482.673 3.712 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001307058716 1069840927 /nfs/dbraw/zinc/84/09/27/1069840927.db2.gz PYYYSJOALFOPSW-FGZHOGPDSA-N 1 1 458.695 3.874 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001307059059 1069841247 /nfs/dbraw/zinc/84/12/47/1069841247.db2.gz SWMBFAQMCWOSLD-NHCUHLMSSA-N 1 1 457.619 3.787 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](COC)C1 ZINC001307058256 1069838654 /nfs/dbraw/zinc/83/86/54/1069838654.db2.gz ZBEZTOYORQXZER-PZJWPPBQSA-N 1 1 457.619 3.700 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001307059228 1069843683 /nfs/dbraw/zinc/84/36/83/1069843683.db2.gz URJNCMBMLJBUDZ-LEWJYISDSA-N 1 1 488.627 3.764 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001307059558 1069845447 /nfs/dbraw/zinc/84/54/47/1069845447.db2.gz UTAPNEBGSJQRIM-JOCHJYFZSA-N 1 1 481.670 3.634 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001307059811 1069846412 /nfs/dbraw/zinc/84/64/12/1069846412.db2.gz VYJUORZLJYLNHA-XMMPIXPASA-N 1 1 482.673 3.877 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307060008 1069847001 /nfs/dbraw/zinc/84/70/01/1069847001.db2.gz ZAABNXSJSVOUIT-FCHUYYIVSA-N 1 1 461.676 3.825 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307061679 1069853826 /nfs/dbraw/zinc/85/38/26/1069853826.db2.gz HJJOKMZOWACRPU-NHCUHLMSSA-N 1 1 485.677 3.899 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001307061670 1069854217 /nfs/dbraw/zinc/85/42/17/1069854217.db2.gz HFNZFNZVCUIWQH-RTWAWAEBSA-N 1 1 455.651 3.526 20 0 JHADMO C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001312314015 1069856279 /nfs/dbraw/zinc/85/62/79/1069856279.db2.gz BJNUPWNJRPGATE-UHOSZYNNSA-N 1 1 458.965 3.794 20 0 JHADMO 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 ZINC001312313583 1069856427 /nfs/dbraw/zinc/85/64/27/1069856427.db2.gz FLTDHHDMCGBJJK-KZNAEPCWSA-N 1 1 450.986 3.880 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001307063175 1069861317 /nfs/dbraw/zinc/86/13/17/1069861317.db2.gz NCRGBKVQQJWWEA-FQEVSTJZSA-N 1 1 465.602 3.653 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001307063264 1069861681 /nfs/dbraw/zinc/86/16/81/1069861681.db2.gz OUUOKXGGLPGXPM-JTHBVZDNSA-N 1 1 481.689 3.983 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@H](COC)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314221444 1069872175 /nfs/dbraw/zinc/87/21/75/1069872175.db2.gz YOCVDRVSFDLQCT-REWPJTCUSA-N 1 1 471.646 3.849 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001307066904 1069876145 /nfs/dbraw/zinc/87/61/45/1069876145.db2.gz KYPAJHYPQQQCJW-VQTJNVASSA-N 1 1 478.682 3.570 20 0 JHADMO 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CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001312360468 1069886967 /nfs/dbraw/zinc/88/69/67/1069886967.db2.gz KUQJWCIZQXPBKO-HSZRJFAPSA-N 1 1 450.649 3.655 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001314224902 1069887630 /nfs/dbraw/zinc/88/76/30/1069887630.db2.gz IHAZLKPPMQDQPB-JOCHJYFZSA-N 1 1 459.635 3.847 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001314224903 1069887994 /nfs/dbraw/zinc/88/79/94/1069887994.db2.gz IHAZLKPPMQDQPB-QFIPXVFZSA-N 1 1 459.635 3.847 20 0 JHADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001312368607 1069891344 /nfs/dbraw/zinc/89/13/44/1069891344.db2.gz CMSHBIHPYXMNIW-OAQYLSRUSA-N 1 1 456.414 3.937 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314225737 1069892142 /nfs/dbraw/zinc/89/21/42/1069892142.db2.gz MNMSQZYWMOLAPN-LNRXMEIDSA-N 1 1 471.646 3.990 20 0 JHADMO CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001312391143 1069904172 /nfs/dbraw/zinc/90/41/72/1069904172.db2.gz GHZSFSZASUQQKE-DENIHFKCSA-N 1 1 458.965 3.890 20 0 JHADMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001312401273 1069911354 /nfs/dbraw/zinc/91/13/54/1069911354.db2.gz QAPVVRFSOUSWQG-RLLQIKCJSA-N 1 1 456.537 3.765 20 0 JHADMO CC(C)N(C)C(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312412266 1069917975 /nfs/dbraw/zinc/91/79/75/1069917975.db2.gz KJJUTRBBKZFRHL-WIYYLYMNSA-N 1 1 453.002 3.760 20 0 JHADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnc(CCc4ccccc4)o3)CC2)cc1 ZINC001307308675 1069937443 /nfs/dbraw/zinc/93/74/43/1069937443.db2.gz SUYPTHLEAHBKFZ-UHFFFAOYSA-N 1 1 450.608 3.990 20 0 JHADMO CCOC1CC(Cn2c(CC)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)([NH+]2CCOCC2)C1 ZINC001314238771 1069938121 /nfs/dbraw/zinc/93/81/21/1069938121.db2.gz BDZMNQZXVQAPBY-UHFFFAOYSA-N 1 1 481.563 3.766 20 0 JHADMO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1(C)C ZINC001314242615 1069948833 /nfs/dbraw/zinc/94/88/33/1069948833.db2.gz HZUHXQYUOVTDOZ-AGILITTLSA-N 1 1 484.689 3.620 20 0 JHADMO Cc1c(Cl)cccc1N1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001312481550 1069962139 /nfs/dbraw/zinc/96/21/39/1069962139.db2.gz PKDWEAFFJYMRBH-QFIPXVFZSA-N 1 1 457.018 3.637 20 0 JHADMO CC[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)CCC(F)(F)F ZINC001312489132 1069968048 /nfs/dbraw/zinc/96/80/48/1069968048.db2.gz KAARDPOSZUWHKS-BBWFWOEESA-N 1 1 450.546 3.596 20 0 JHADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC001312489010 1069968169 /nfs/dbraw/zinc/96/81/69/1069968169.db2.gz HREOTFNSFDRSDS-RXVVDRJESA-N 1 1 457.585 3.906 20 0 JHADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC001312489006 1069968248 /nfs/dbraw/zinc/96/82/48/1069968248.db2.gz HREOTFNSFDRSDS-GHTZIAJQSA-N 1 1 457.585 3.906 20 0 JHADMO 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CCO[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1(C)C ZINC001314255354 1069990017 /nfs/dbraw/zinc/99/00/17/1069990017.db2.gz UWEIFHCZYAFRLT-BHIFYINESA-N 1 1 462.727 3.780 20 0 JHADMO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)N(C)Cc3nc4ccccc4s3)CC2)c(C)o1 ZINC001307449724 1069990364 /nfs/dbraw/zinc/99/03/64/1069990364.db2.gz DAJDRUMRGWPJLH-INIZCTEOSA-N 1 1 454.596 3.747 20 0 JHADMO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O ZINC001307449823 1069990517 /nfs/dbraw/zinc/99/05/17/1069990517.db2.gz HAKNDYJKIVENCT-HXUWFJFHSA-N 1 1 456.543 3.734 20 0 JHADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)NCc3cc(COC(C)(C)C)on3)C2)O1 ZINC001312535370 1069997803 /nfs/dbraw/zinc/99/78/03/1069997803.db2.gz DXHOMWKJPFEFGR-UQBPGWFLSA-N 1 1 456.587 3.565 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)NCc3cc(COC(C)(C)C)on3)C2)O1 ZINC001312535370 1069997816 /nfs/dbraw/zinc/99/78/16/1069997816.db2.gz DXHOMWKJPFEFGR-UQBPGWFLSA-N 1 1 456.587 3.565 20 0 JHADMO CCC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307459994 1069997383 /nfs/dbraw/zinc/99/73/83/1069997383.db2.gz AGMVNTVJTXGJFA-HXUWFJFHSA-N 1 1 459.566 3.980 20 0 JHADMO CCC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307459994 1069997394 /nfs/dbraw/zinc/99/73/94/1069997394.db2.gz AGMVNTVJTXGJFA-HXUWFJFHSA-N 1 1 459.566 3.980 20 0 JHADMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001307467605 1070002663 /nfs/dbraw/zinc/00/26/63/1070002663.db2.gz RXEULVMWNZHSEO-FQEVSTJZSA-N 1 1 459.546 3.950 20 0 JHADMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001307467605 1070002670 /nfs/dbraw/zinc/00/26/70/1070002670.db2.gz RXEULVMWNZHSEO-FQEVSTJZSA-N 1 1 459.546 3.950 20 0 JHADMO CN(C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1)C(=O)OC(C)(C)C ZINC001307463862 1070000435 /nfs/dbraw/zinc/00/04/35/1070000435.db2.gz XRYKQTJYYQCYAR-YJBOKZPZSA-N 1 1 452.393 3.743 20 0 JHADMO COc1cccc([C@H](C)[NH+]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC2)c1 ZINC001307465862 1070001771 /nfs/dbraw/zinc/00/17/71/1070001771.db2.gz XWMUWZGPAXLZJG-JTSKRJEESA-N 1 1 458.400 3.942 20 0 JHADMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC001307468874 1070002995 /nfs/dbraw/zinc/00/29/95/1070002995.db2.gz DQERNSMDBJBBSN-AWEZNQCLSA-N 1 1 452.780 3.720 20 0 JHADMO COCC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCO2 ZINC001307471283 1070004910 /nfs/dbraw/zinc/00/49/10/1070004910.db2.gz IDIUQXSVPDQNBL-UHFFFAOYSA-N 1 1 453.308 3.794 20 0 JHADMO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[NH+]2C3CCCC2CCC3)c1 ZINC001307474480 1070006593 /nfs/dbraw/zinc/00/65/93/1070006593.db2.gz WFUUJKKCQHZDSH-UHFFFAOYSA-N 1 1 451.633 3.850 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC001312551501 1070008498 /nfs/dbraw/zinc/00/84/98/1070008498.db2.gz ULUGPUPRBIMFJX-QZTJIDSGSA-N 1 1 450.505 3.870 20 0 JHADMO CCOC(=O)c1sc2nc(CN3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)nc(N)c2c1C 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CCCCCOc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309650657 1070902179 /nfs/dbraw/zinc/90/21/79/1070902179.db2.gz WGPUIDOXAZDGOP-LOSJGSFVSA-N 1 1 458.624 3.920 20 0 JHADMO CCCCCOc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309650657 1070902198 /nfs/dbraw/zinc/90/21/98/1070902198.db2.gz WGPUIDOXAZDGOP-LOSJGSFVSA-N 1 1 458.624 3.920 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCC2)n1Cc1cccnc1OCC(F)(F)F ZINC001314714326 1070903239 /nfs/dbraw/zinc/90/32/39/1070903239.db2.gz SNDLPCZKXGKRNJ-UHFFFAOYSA-N 1 1 496.578 3.725 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001314714860 1070903922 /nfs/dbraw/zinc/90/39/22/1070903922.db2.gz YQCJVGWFFTZEPG-UHFFFAOYSA-N 1 1 491.562 3.540 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314716802 1070907579 /nfs/dbraw/zinc/90/75/79/1070907579.db2.gz JJHSOCUQQMXYOS-UHFFFAOYSA-N 1 1 476.494 3.571 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314716802 1070907583 /nfs/dbraw/zinc/90/75/83/1070907583.db2.gz JJHSOCUQQMXYOS-UHFFFAOYSA-N 1 1 476.494 3.571 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314716802 1070907597 /nfs/dbraw/zinc/90/75/97/1070907597.db2.gz JJHSOCUQQMXYOS-UHFFFAOYSA-N 1 1 476.494 3.571 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)C)CC1)c1ccccc1 ZINC001313675758 1070918348 /nfs/dbraw/zinc/91/83/48/1070918348.db2.gz BIEWIFBXKKFVEW-DNQXCXABSA-N 1 1 454.663 3.786 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001314728769 1070942150 /nfs/dbraw/zinc/94/21/50/1070942150.db2.gz BQABYFMBRNGHRN-INIZCTEOSA-N 1 1 481.464 3.564 20 0 JHADMO CCc1ncc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)s1 ZINC001309749617 1070952640 /nfs/dbraw/zinc/95/26/40/1070952640.db2.gz PPRXAWCIBHNPJM-LEWJYISDSA-N 1 1 457.621 3.661 20 0 JHADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001309767725 1070960414 /nfs/dbraw/zinc/96/04/14/1070960414.db2.gz QNVOYWDAJFNLSR-WBVHZDCISA-N 1 1 458.502 3.783 20 0 JHADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001309767725 1070960422 /nfs/dbraw/zinc/96/04/22/1070960422.db2.gz QNVOYWDAJFNLSR-WBVHZDCISA-N 1 1 458.502 3.783 20 0 JHADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC001309789846 1070968934 /nfs/dbraw/zinc/96/89/34/1070968934.db2.gz GAGZSQYHEPUOMT-HXUWFJFHSA-N 1 1 455.624 3.982 20 0 JHADMO Cc1nc(S(=O)(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)sc1Br ZINC001309793637 1070970892 /nfs/dbraw/zinc/97/08/92/1070970892.db2.gz BOCWSDCKKOERNK-MRXNPFEDSA-N 1 1 458.447 3.889 20 0 JHADMO Cc1nc(S(=O)(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)sc1Br ZINC001309793637 1070970902 /nfs/dbraw/zinc/97/09/02/1070970902.db2.gz BOCWSDCKKOERNK-MRXNPFEDSA-N 1 1 458.447 3.889 20 0 JHADMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)cc1F ZINC001309799548 1070973692 /nfs/dbraw/zinc/97/36/92/1070973692.db2.gz NXKSKKQMRINHGP-VGSWGCGISA-N 1 1 452.979 3.842 20 0 JHADMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)cc1F ZINC001309799548 1070973698 /nfs/dbraw/zinc/97/36/98/1070973698.db2.gz NXKSKKQMRINHGP-VGSWGCGISA-N 1 1 452.979 3.842 20 0 JHADMO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCCO2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314740609 1070976573 /nfs/dbraw/zinc/97/65/73/1070976573.db2.gz XWDKAYJOBUAPDW-NHCUHLMSSA-N 1 1 492.462 3.765 20 0 JHADMO CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@H]1C ZINC001313702021 1070982725 /nfs/dbraw/zinc/98/27/25/1070982725.db2.gz FRIXQLJUYUDISL-ZJSXRUAMSA-N 1 1 454.663 3.940 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001314742904 1070982875 /nfs/dbraw/zinc/98/28/75/1070982875.db2.gz BJAFYBPJYSZGAJ-UHFFFAOYSA-N 1 1 474.556 3.632 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001314742904 1070982881 /nfs/dbraw/zinc/98/28/81/1070982881.db2.gz BJAFYBPJYSZGAJ-UHFFFAOYSA-N 1 1 474.556 3.632 20 0 JHADMO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001309852493 1070995811 /nfs/dbraw/zinc/99/58/11/1070995811.db2.gz JDFNMGRVASBOMM-QWHZDKJVSA-N 1 1 455.805 3.820 20 0 JHADMO CN(Cc1ccccc1Br)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314749091 1070998834 /nfs/dbraw/zinc/99/88/34/1070998834.db2.gz MOWKAVINMHRTAI-UHFFFAOYSA-N 1 1 489.462 3.787 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)C1 ZINC001314750567 1071002301 /nfs/dbraw/zinc/00/23/01/1071002301.db2.gz UNYDIEPXYZUKJT-HXUWFJFHSA-N 1 1 450.635 3.681 20 0 JHADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCOCC1 ZINC001314771164 1071035066 /nfs/dbraw/zinc/03/50/66/1071035066.db2.gz HYTQDRPREFWBAJ-UHFFFAOYSA-N 1 1 498.550 3.842 20 0 JHADMO CN(Cc1cscn1)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314771062 1071035086 /nfs/dbraw/zinc/03/50/86/1071035086.db2.gz NBHBKXLLDDOSDI-UHFFFAOYSA-N 1 1 478.569 3.750 20 0 JHADMO CN(Cc1nccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314773251 1071041544 /nfs/dbraw/zinc/04/15/44/1071041544.db2.gz VAHLDOHBWGQENF-SFHVURJKSA-N 1 1 474.034 3.563 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001313730548 1071045060 /nfs/dbraw/zinc/04/50/60/1071045060.db2.gz IOOLXEWAGOGYBL-OAQYLSRUSA-N 1 1 463.573 3.935 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001313730548 1071045068 /nfs/dbraw/zinc/04/50/68/1071045068.db2.gz IOOLXEWAGOGYBL-OAQYLSRUSA-N 1 1 463.573 3.935 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc[nH+]c1C ZINC001313731113 1071046512 /nfs/dbraw/zinc/04/65/12/1071046512.db2.gz FQMSOJSEMWWAJS-MRXNPFEDSA-N 1 1 483.063 3.517 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001313731161 1071046620 /nfs/dbraw/zinc/04/66/20/1071046620.db2.gz GXPSPJXZFVRZFZ-MRXNPFEDSA-N 1 1 454.040 3.634 20 0 JHADMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309997890 1071047517 /nfs/dbraw/zinc/04/75/17/1071047517.db2.gz RYCJNIYCZSPWHN-QFIPXVFZSA-N 1 1 456.612 3.647 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001313731869 1071048660 /nfs/dbraw/zinc/04/86/60/1071048660.db2.gz WNPGZXVTFTYKOA-MOPGFXCFSA-N 1 1 495.640 3.605 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001313732639 1071050191 /nfs/dbraw/zinc/05/01/91/1071050191.db2.gz IRVRFXUTHZRPGK-KRWDZBQOSA-N 1 1 465.067 3.874 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313732880 1071050702 /nfs/dbraw/zinc/05/07/02/1071050702.db2.gz IKUUMBHOKXUOCW-QHCPKHFHSA-N 1 1 452.578 3.863 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001313732934 1071051114 /nfs/dbraw/zinc/05/11/14/1071051114.db2.gz KUBHYHVVIAYTDJ-SFHVURJKSA-N 1 1 495.093 3.643 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310010358 1071055730 /nfs/dbraw/zinc/05/57/30/1071055730.db2.gz RSCJVLZXHNELSI-ZEQRLZLVSA-N 1 1 450.583 3.724 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310010358 1071055736 /nfs/dbraw/zinc/05/57/36/1071055736.db2.gz RSCJVLZXHNELSI-ZEQRLZLVSA-N 1 1 450.583 3.724 20 0 JHADMO CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCC[C@@H]1C ZINC001313740232 1071064933 /nfs/dbraw/zinc/06/49/33/1071064933.db2.gz GGVMJJSIOSVJFL-IBGZPJMESA-N 1 1 452.628 3.780 20 0 JHADMO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001310022309 1071066441 /nfs/dbraw/zinc/06/64/41/1071066441.db2.gz BQGZRCQXXWWBOD-OALUTQOASA-N 1 1 450.649 3.882 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+](C)C(C)C ZINC001313745555 1071074139 /nfs/dbraw/zinc/07/41/39/1071074139.db2.gz HQQIDKAONFKLJY-UHFFFAOYSA-N 1 1 487.649 3.744 20 0 JHADMO C[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310062286 1071092072 /nfs/dbraw/zinc/09/20/72/1071092072.db2.gz VKWNAGPHRBBAPD-HTAPYJJXSA-N 1 1 456.974 3.878 20 0 JHADMO C[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310062286 1071092086 /nfs/dbraw/zinc/09/20/86/1071092086.db2.gz VKWNAGPHRBBAPD-HTAPYJJXSA-N 1 1 456.974 3.878 20 0 JHADMO CN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001314813313 1071113334 /nfs/dbraw/zinc/11/33/34/1071113334.db2.gz XVJLOSDTRNZOLU-OAQYLSRUSA-N 1 1 498.672 3.749 20 0 JHADMO CN(C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1)C(=O)OC(C)(C)C ZINC001314813511 1071114804 /nfs/dbraw/zinc/11/48/04/1071114804.db2.gz SIUFVAQARZKWMY-NHCUHLMSSA-N 1 1 490.693 3.597 20 0 JHADMO CN(CC1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001314818129 1071126965 /nfs/dbraw/zinc/12/69/65/1071126965.db2.gz FKCPWSBWTHUHOV-UHFFFAOYSA-N 1 1 480.078 3.809 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001313778767 1071140338 /nfs/dbraw/zinc/14/03/38/1071140338.db2.gz XJVWACKMUCEDLL-HXUWFJFHSA-N 1 1 492.462 3.824 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001313778767 1071140341 /nfs/dbraw/zinc/14/03/41/1071140341.db2.gz XJVWACKMUCEDLL-HXUWFJFHSA-N 1 1 492.462 3.824 20 0 JHADMO CN(CC1COC(C)(C)OC1)c1nnc(Cc2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314821771 1071138995 /nfs/dbraw/zinc/13/89/95/1071138995.db2.gz QZBSXKPZABDNHZ-QFIPXVFZSA-N 1 1 473.637 3.964 20 0 JHADMO Cc1cc(N2CCC(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CC2)nc(C)[nH+]1 ZINC001310130142 1071141029 /nfs/dbraw/zinc/14/10/29/1071141029.db2.gz DUOYQEPDHXJRPV-CALCHBBNSA-N 1 1 456.566 3.637 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(Cc2ccccc2C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313780622 1071144824 /nfs/dbraw/zinc/14/48/24/1071144824.db2.gz LAQISRCQEFBCLV-DNQXCXABSA-N 1 1 455.647 3.539 20 0 JHADMO CN(CCc1ccc(Cl)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314829144 1071157627 /nfs/dbraw/zinc/15/76/27/1071157627.db2.gz DMIOBAOSPUAFFK-UHFFFAOYSA-N 1 1 482.076 3.622 20 0 JHADMO CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](CC)C(C)C ZINC001313784679 1071156936 /nfs/dbraw/zinc/15/69/36/1071156936.db2.gz GGEHCHPWOBGCET-OFNKIYASSA-N 1 1 457.619 3.916 20 0 JHADMO CN(CCc1ccc(Cl)cc1)c1nnc(Cc2ccncc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314829144 1071157613 /nfs/dbraw/zinc/15/76/13/1071157613.db2.gz DMIOBAOSPUAFFK-UHFFFAOYSA-N 1 1 482.076 3.622 20 0 JHADMO CN(CCc1ccc(Cl)cc1)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314829144 1071157619 /nfs/dbraw/zinc/15/76/19/1071157619.db2.gz DMIOBAOSPUAFFK-UHFFFAOYSA-N 1 1 482.076 3.622 20 0 JHADMO 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CN(CCCCCO)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314844886 1071199692 /nfs/dbraw/zinc/19/96/92/1071199692.db2.gz CERBMOKVZHAODM-QHCPKHFHSA-N 1 1 455.647 3.608 20 0 JHADMO COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001310210743 1071208602 /nfs/dbraw/zinc/20/86/02/1071208602.db2.gz FTYGLLGBFIKSCQ-OAQYLSRUSA-N 1 1 456.562 3.657 20 0 JHADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)c1 ZINC001310203725 1071205039 /nfs/dbraw/zinc/20/50/39/1071205039.db2.gz HIFCQAFPIVJJFB-LJQANCHMSA-N 1 1 451.354 3.644 20 0 JHADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)c1 ZINC001310203725 1071205052 /nfs/dbraw/zinc/20/50/52/1071205052.db2.gz HIFCQAFPIVJJFB-LJQANCHMSA-N 1 1 451.354 3.644 20 0 JHADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[NH+]3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC001310204804 1071205668 /nfs/dbraw/zinc/20/56/68/1071205668.db2.gz IQHNKDHKNFRDBB-FGZHOGPDSA-N 1 1 451.615 3.586 20 0 JHADMO 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CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@H]1C ZINC001313871577 1071417559 /nfs/dbraw/zinc/41/75/59/1071417559.db2.gz URSKZIZWGRVZSL-IAGOWNOFSA-N 1 1 485.658 3.674 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001314951268 1071420226 /nfs/dbraw/zinc/42/02/26/1071420226.db2.gz PPOZCWKIGHMAFX-OALUTQOASA-N 1 1 463.630 3.520 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@@H]1C ZINC001313873077 1071423600 /nfs/dbraw/zinc/42/36/00/1071423600.db2.gz YQQKSWXKJVFDOH-IRXDYDNUSA-N 1 1 470.643 3.889 20 0 JHADMO 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 1071426456 /nfs/dbraw/zinc/42/64/56/1071426456.db2.gz DJAYWDDWULSZKR-QHAWAJNXSA-N 1 1 494.606 3.969 20 0 JHADMO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489568 1071427671 /nfs/dbraw/zinc/42/76/71/1071427671.db2.gz IGFCSVBFZWNRGD-ISJGIBHGSA-N 1 1 458.647 3.529 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489568 1071427676 /nfs/dbraw/zinc/42/76/76/1071427676.db2.gz IGFCSVBFZWNRGD-ISJGIBHGSA-N 1 1 458.647 3.529 20 0 JHADMO 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 1071428723 /nfs/dbraw/zinc/42/87/23/1071428723.db2.gz NQZJEVAQUZBYRH-NJYVYQBISA-N 1 1 485.677 3.686 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@H]1C ZINC001313874414 1071428798 /nfs/dbraw/zinc/42/87/98/1071428798.db2.gz NVGCSYNDNLJVIX-QZTJIDSGSA-N 1 1 457.573 3.661 20 0 JHADMO CCN1C[C@H](CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001313874642 1071429563 /nfs/dbraw/zinc/42/95/63/1071429563.db2.gz BRTMKFZAAWPMOI-NRFANRHFSA-N 1 1 463.630 3.794 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001310491890 1071431396 /nfs/dbraw/zinc/43/13/96/1071431396.db2.gz XPOSRONNRCCFPY-SIKLNZKXSA-N 1 1 453.649 3.753 20 0 JHADMO CCN1C[C@@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)Oc2ccccc21 ZINC001313875360 1071433726 /nfs/dbraw/zinc/43/37/26/1071433726.db2.gz GQWGLLZPHAQBGD-VWNXMTODSA-N 1 1 498.716 3.947 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@@H]1C ZINC001313877049 1071440045 /nfs/dbraw/zinc/44/00/45/1071440045.db2.gz QXMSOHNMXQAINA-OALUTQOASA-N 1 1 456.664 3.687 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876969 1071440088 /nfs/dbraw/zinc/44/00/88/1071440088.db2.gz PSSXOEIMWZCARD-ROUUACIJSA-N 1 1 470.618 3.570 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313877017 1071440106 /nfs/dbraw/zinc/44/01/06/1071440106.db2.gz QFPPABMIZZKHTN-UXHICEINSA-N 1 1 472.037 3.943 20 0 JHADMO 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 1071438255 /nfs/dbraw/zinc/43/82/55/1071438255.db2.gz PBRVDGLJCIHKKR-NHCUHLMSSA-N 1 1 486.661 3.918 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313876671 1071439148 /nfs/dbraw/zinc/43/91/48/1071439148.db2.gz VKOYANVHZYLSJZ-MSOLQXFVSA-N 1 1 453.591 3.610 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313877346 1071441635 /nfs/dbraw/zinc/44/16/35/1071441635.db2.gz XDHVMXBMVSAGAI-MOPGFXCFSA-N 1 1 480.613 3.528 20 0 JHADMO 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 1071442497 /nfs/dbraw/zinc/44/24/97/1071442497.db2.gz RHJJDFRHZJWQBI-UXHICEINSA-N 1 1 484.689 3.846 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878140 1071443999 /nfs/dbraw/zinc/44/39/99/1071443999.db2.gz VJKVCZDRFMGETE-MSOLQXFVSA-N 1 1 489.546 3.567 20 0 JHADMO 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 1071444591 /nfs/dbraw/zinc/44/45/91/1071444591.db2.gz WDIZOCUYKWCQIK-RZUBCFFCSA-N 1 1 485.677 3.732 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313879241 1071448420 /nfs/dbraw/zinc/44/84/20/1071448420.db2.gz ZEKXZGNFVSTCDQ-WOJBJXKFSA-N 1 1 456.635 3.621 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882421 1071458485 /nfs/dbraw/zinc/45/84/85/1071458485.db2.gz FTIUQKKPKBUYIV-VQTJNVASSA-N 1 1 483.686 3.864 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313882696 1071458924 /nfs/dbraw/zinc/45/89/24/1071458924.db2.gz GFRGMSLXIOSNSX-CEXWTWQISA-N 1 1 477.700 3.633 20 0 JHADMO 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 1071460496 /nfs/dbraw/zinc/46/04/96/1071460496.db2.gz IHOKTKXAIQKCMR-YMQHIKHWSA-N 1 1 476.666 3.694 20 0 JHADMO 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 1071460560 /nfs/dbraw/zinc/46/05/60/1071460560.db2.gz IHOKTKXAIQKCMR-QGLKVJOYSA-N 1 1 476.666 3.694 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC001313883527 1071462051 /nfs/dbraw/zinc/46/20/51/1071462051.db2.gz IOQRUZYOCMBIRI-OKZBNKHCSA-N 1 1 484.066 3.637 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313883492 1071462074 /nfs/dbraw/zinc/46/20/74/1071462074.db2.gz IDVYUYHYWBAMBK-QUCCMNQESA-N 1 1 489.064 3.766 20 0 JHADMO 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 ZINC001313884527 1071464162 /nfs/dbraw/zinc/46/41/62/1071464162.db2.gz MHEPIUSPHPLXRI-WCIQWLHISA-N 1 1 472.634 3.917 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001313884930 1071464953 /nfs/dbraw/zinc/46/49/53/1071464953.db2.gz VFJFQPJIKHXXPA-IBGZPJMESA-N 1 1 459.038 3.749 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313885080 1071465764 /nfs/dbraw/zinc/46/57/64/1071465764.db2.gz WUKAPEWBSKXDNP-JTHBVZDNSA-N 1 1 482.673 3.729 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@H]1C ZINC001313885517 1071467181 /nfs/dbraw/zinc/46/71/81/1071467181.db2.gz PGBOHNDCLNSXQI-JTDSTZFVSA-N 1 1 495.409 3.701 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001313885496 1071467300 /nfs/dbraw/zinc/46/73/00/1071467300.db2.gz CPVVPCCYNLJRQP-HXUWFJFHSA-N 1 1 475.081 3.735 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886068 1071469035 /nfs/dbraw/zinc/46/90/35/1071469035.db2.gz LXOGPISIJAVWKR-UXHICEINSA-N 1 1 484.645 3.741 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001313886924 1071471560 /nfs/dbraw/zinc/47/15/60/1071471560.db2.gz RGFXZENNZJBKJL-HDYDNRTBSA-N 1 1 459.038 3.824 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCSC(C)(C)C2)C1 ZINC001313887977 1071475016 /nfs/dbraw/zinc/47/50/16/1071475016.db2.gz FFBJVUNRFQTZOQ-QGZVFWFLSA-N 1 1 475.659 3.645 20 0 JHADMO 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CC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313892909 1071488664 /nfs/dbraw/zinc/48/86/64/1071488664.db2.gz MMEFOFNNDPWZSA-SFTDATJTSA-N 1 1 485.677 3.709 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313893130 1071489220 /nfs/dbraw/zinc/48/92/20/1071489220.db2.gz KVSCFLMBXNMYNS-DWLFOUALSA-N 1 1 484.645 3.787 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC(F)(F)F)C1 ZINC001313893515 1071490146 /nfs/dbraw/zinc/49/01/46/1071490146.db2.gz OYHPOSHFGOLJOM-IRXDYDNUSA-N 1 1 474.572 3.733 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313893505 1071490253 /nfs/dbraw/zinc/49/02/53/1071490253.db2.gz NVEQBHOSUXMMBQ-GMKZXUHWSA-N 1 1 482.673 3.824 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893641 1071490779 /nfs/dbraw/zinc/49/07/79/1071490779.db2.gz PGWMMBQNYQBZFF-JUXOCIIHSA-N 1 1 496.027 3.857 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893644 1071491073 /nfs/dbraw/zinc/49/10/73/1071491073.db2.gz PGWMMBQNYQBZFF-SFGWALBWSA-N 1 1 496.027 3.857 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314986917 1071497345 /nfs/dbraw/zinc/49/73/45/1071497345.db2.gz DNNUKCIFNNSBJA-UYAOXDASSA-N 1 1 474.053 3.611 20 0 JHADMO CCN(C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[N@@H+](CC)C2)C1)CC(F)(F)F ZINC001313894316 1071493527 /nfs/dbraw/zinc/49/35/27/1071493527.db2.gz SFQMETKXHFSVMY-VQTJNVASSA-N 1 1 479.595 3.701 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314986001 1071493923 /nfs/dbraw/zinc/49/39/23/1071493923.db2.gz OZCHLKCYOHHUPV-IVAOSVALSA-N 1 1 486.636 3.640 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCC1CCOCC1 ZINC001313894751 1071494154 /nfs/dbraw/zinc/49/41/54/1071494154.db2.gz CEPAFWPNJQCWIM-HXUWFJFHSA-N 1 1 457.619 3.700 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314987298 1071498948 /nfs/dbraw/zinc/49/89/48/1071498948.db2.gz BTDSZMHQPZMSML-FPOVZHCZSA-N 1 1 473.065 3.749 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313896169 1071499576 /nfs/dbraw/zinc/49/95/76/1071499576.db2.gz MXDJOWNHZQDWPM-ROUUACIJSA-N 1 1 496.578 3.519 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313896636 1071500244 /nfs/dbraw/zinc/50/02/44/1071500244.db2.gz PGTHEENDGWAIFO-TZIWHRDSSA-N 1 1 457.619 3.698 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](COC)C1 ZINC001313897533 1071502814 /nfs/dbraw/zinc/50/28/14/1071502814.db2.gz XZLBKXYYBXCZNH-PZJWPPBQSA-N 1 1 457.619 3.698 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313899724 1071508484 /nfs/dbraw/zinc/50/84/84/1071508484.db2.gz KBVSOLJCEIFNML-HXUWFJFHSA-N 1 1 456.635 3.523 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001313897981 1071504299 /nfs/dbraw/zinc/50/42/99/1071504299.db2.gz ZOHZNNJHQACLTL-MJGOQNOKSA-N 1 1 451.537 3.998 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898282 1071505215 /nfs/dbraw/zinc/50/52/15/1071505215.db2.gz PLEALDKTUDWHBJ-NQIIRXRSSA-N 1 1 459.038 3.972 20 0 JHADMO 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 1071505239 /nfs/dbraw/zinc/50/52/39/1071505239.db2.gz QJGMCKJKRIXTBI-UWHLTILDSA-N 1 1 476.666 3.601 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001313898824 1071505658 /nfs/dbraw/zinc/50/56/58/1071505658.db2.gz FOQCYOMNUDFZOD-HXUWFJFHSA-N 1 1 456.541 3.986 20 0 JHADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001313898469 1071505954 /nfs/dbraw/zinc/50/59/54/1071505954.db2.gz DIJMCWODHJEABI-HSZRJFAPSA-N 1 1 497.688 3.974 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001313898977 1071506712 /nfs/dbraw/zinc/50/67/12/1071506712.db2.gz FMHYNUWSXJYHTB-HBMCJLEFSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001313899671 1071507973 /nfs/dbraw/zinc/50/79/73/1071507973.db2.gz XCQRAHIGYDKDIN-DYXWJJEUSA-N 1 1 492.462 3.743 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313901691 1071511700 /nfs/dbraw/zinc/51/17/00/1071511700.db2.gz SRRBHLULGDVMOE-IFMALSPDSA-N 1 1 484.664 3.871 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314995860 1071512907 /nfs/dbraw/zinc/51/29/07/1071512907.db2.gz CEUIDOIZIUOCBW-IFMALSPDSA-N 1 1 484.714 3.962 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314995862 1071513039 /nfs/dbraw/zinc/51/30/39/1071513039.db2.gz CEUIDOIZIUOCBW-RBBKRZOGSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902514 1071514053 /nfs/dbraw/zinc/51/40/53/1071514053.db2.gz ZHPIFRCOGZLLOF-HXUWFJFHSA-N 1 1 493.574 3.904 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1 ZINC001313903638 1071515589 /nfs/dbraw/zinc/51/55/89/1071515589.db2.gz FDSBUKXEHCIEPG-FGTMMUONSA-N 1 1 475.663 3.626 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001313903784 1071516633 /nfs/dbraw/zinc/51/66/33/1071516633.db2.gz RYFWDPNFQJWFNS-ZWKOTPCHSA-N 1 1 452.525 3.681 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314998878 1071519278 /nfs/dbraw/zinc/51/92/78/1071519278.db2.gz XJIUFQCCCJDRMF-ISKFKSNPSA-N 1 1 466.674 3.680 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313904686 1071519327 /nfs/dbraw/zinc/51/93/27/1071519327.db2.gz KNIAXAHTVPYQPJ-AHRSYUTCSA-N 1 1 462.436 3.789 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313906498 1071524178 /nfs/dbraw/zinc/52/41/78/1071524178.db2.gz ZNRYIQWGFMAZSV-FGZHOGPDSA-N 1 1 498.672 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906249 1071524193 /nfs/dbraw/zinc/52/41/93/1071524193.db2.gz VRLCKOZLLLDAQV-XUVXKRRUSA-N 1 1 488.608 3.709 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906841 1071525859 /nfs/dbraw/zinc/52/58/59/1071525859.db2.gz SAEARAMCXSBWHB-IBGZPJMESA-N 1 1 466.552 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313907512 1071528120 /nfs/dbraw/zinc/52/81/20/1071528120.db2.gz HBPZMKJCUVZDQE-IEBWSBKVSA-N 1 1 489.462 3.639 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313908664 1071531105 /nfs/dbraw/zinc/53/11/05/1071531105.db2.gz AOJOZYLMDXWJAK-NJDAHSKKSA-N 1 1 460.667 3.525 20 0 JHADMO CCn1cc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCC[N@H+]2CC)cn1 ZINC001313909034 1071531155 /nfs/dbraw/zinc/53/11/55/1071531155.db2.gz LZZHFOUCMOTTND-QFIPXVFZSA-N 1 1 451.619 3.893 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313908381 1071530270 /nfs/dbraw/zinc/53/02/70/1071530270.db2.gz NFCYCYSXSYOGOZ-NRFANRHFSA-N 1 1 481.645 3.823 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001313909755 1071533044 /nfs/dbraw/zinc/53/30/44/1071533044.db2.gz CQCMABIAIRJHKC-NJDAHSKKSA-N 1 1 459.660 3.560 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 ZINC001313909988 1071533685 /nfs/dbraw/zinc/53/36/85/1071533685.db2.gz JBNLQMILVOHIQJ-OAQYLSRUSA-N 1 1 458.676 3.933 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001313911107 1071536614 /nfs/dbraw/zinc/53/66/14/1071536614.db2.gz HNOVPCCEPMKGKB-VXKWHMMOSA-N 1 1 470.637 3.623 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313910755 1071536633 /nfs/dbraw/zinc/53/66/33/1071536633.db2.gz GRQVGMRJVJWFHM-FGZHOGPDSA-N 1 1 459.610 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910221 1071534437 /nfs/dbraw/zinc/53/44/37/1071534437.db2.gz VXUKAJFRKVWOED-DHIUTWEWSA-N 1 1 497.688 3.974 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNC(=O)C(C)C ZINC001313910124 1071534455 /nfs/dbraw/zinc/53/44/55/1071534455.db2.gz VDXVHFOXMYPLRN-LJQANCHMSA-N 1 1 477.053 3.690 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910323 1071535130 /nfs/dbraw/zinc/53/51/30/1071535130.db2.gz VXUKAJFRKVWOED-PKTZIBPZSA-N 1 1 497.688 3.974 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001313911492 1071537749 /nfs/dbraw/zinc/53/77/49/1071537749.db2.gz CHLSRIBOPHIKRH-OALUTQOASA-N 1 1 458.611 3.702 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912214 1071539536 /nfs/dbraw/zinc/53/95/36/1071539536.db2.gz MXCDWDDDNVUCTO-NJYVYQBISA-N 1 1 476.666 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)cc1 ZINC001313914901 1071549214 /nfs/dbraw/zinc/54/92/14/1071549214.db2.gz OWCRMYIDGBADBF-XJUOHMSHSA-N 1 1 457.619 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313915238 1071549899 /nfs/dbraw/zinc/54/98/99/1071549899.db2.gz XBIRONJWBAACBI-DEOSSOPVSA-N 1 1 466.674 3.746 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915819 1071551397 /nfs/dbraw/zinc/55/13/97/1071551397.db2.gz TZTMYPHOQJZHRF-FNZWTVRRSA-N 1 1 487.645 3.978 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315027956 1071554929 /nfs/dbraw/zinc/55/49/29/1071554929.db2.gz ZMHSOVUFAGWHCL-XMMPIXPASA-N 1 1 466.674 3.536 20 0 JHADMO CCN1CCCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001313918163 1071555700 /nfs/dbraw/zinc/55/57/00/1071555700.db2.gz YRLHDETXLVLQKY-JTHBVZDNSA-N 1 1 452.647 3.761 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921001 1071560600 /nfs/dbraw/zinc/56/06/00/1071560600.db2.gz NJWDTUCTUGKSEJ-GOSISDBHSA-N 1 1 478.563 3.679 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315031447 1071561003 /nfs/dbraw/zinc/56/10/03/1071561003.db2.gz MYIWSDGKYXLAOE-GOSISDBHSA-N 1 1 491.478 3.648 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924395 1071570211 /nfs/dbraw/zinc/57/02/11/1071570211.db2.gz DSSWZXGBFSSKLN-RTBURBONSA-N 1 1 498.569 3.658 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)C)CC2)CC1 ZINC001313923511 1071567323 /nfs/dbraw/zinc/56/73/23/1071567323.db2.gz OEMFKAWOTNKQDX-VWLOTQADSA-N 1 1 496.700 3.695 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924073 1071569034 /nfs/dbraw/zinc/56/90/34/1071569034.db2.gz YDTLWZSSYHHSLQ-RTWAWAEBSA-N 1 1 483.661 3.582 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925372 1071573374 /nfs/dbraw/zinc/57/33/74/1071573374.db2.gz PFBJDODXQAFUPB-NHCUHLMSSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925373 1071573410 /nfs/dbraw/zinc/57/34/10/1071573410.db2.gz PFBJDODXQAFUPB-RTWAWAEBSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313925371 1071573433 /nfs/dbraw/zinc/57/34/33/1071573433.db2.gz PFBJDODXQAFUPB-LEWJYISDSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926351 1071576309 /nfs/dbraw/zinc/57/63/09/1071576309.db2.gz FECSUFLJDNDUDS-GOSISDBHSA-N 1 1 465.484 3.526 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313926822 1071578101 /nfs/dbraw/zinc/57/81/01/1071578101.db2.gz YOSIDNOVBFUKMF-MRXNPFEDSA-N 1 1 476.000 3.696 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927185 1071579265 /nfs/dbraw/zinc/57/92/65/1071579265.db2.gz HLEGFJKPNJWCEK-OFNKIYASSA-N 1 1 472.653 3.610 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927618 1071580591 /nfs/dbraw/zinc/58/05/91/1071580591.db2.gz KSHJRSMNZIVUJK-NFBKMPQASA-N 1 1 475.081 3.734 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930092 1071588051 /nfs/dbraw/zinc/58/80/51/1071588051.db2.gz VBECXUWHJOHEBT-GOSISDBHSA-N 1 1 488.105 3.950 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@@H]1C ZINC001313930393 1071589421 /nfs/dbraw/zinc/58/94/21/1071589421.db2.gz MFLKLTAJUYYSJY-RBUKOAKNSA-N 1 1 458.010 3.889 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313930930 1071591198 /nfs/dbraw/zinc/59/11/98/1071591198.db2.gz OHIDDHAUIJVCPS-RTBURBONSA-N 1 1 467.593 3.597 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2=CCCOC2)C[C@@H]1C ZINC001313933384 1071597808 /nfs/dbraw/zinc/59/78/08/1071597808.db2.gz LIWCXBQBNLJIKA-HNNXBMFYSA-N 1 1 464.383 3.724 20 0 JHADMO CCn1cnnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313933400 1071597827 /nfs/dbraw/zinc/59/78/27/1071597827.db2.gz OIRCKKXDOIIYJD-CQSZACIVSA-N 1 1 493.841 3.551 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001313932646 1071595771 /nfs/dbraw/zinc/59/57/71/1071595771.db2.gz IOGLMEFRSWBYQS-PONJGIIJSA-N 1 1 480.426 3.928 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC(F)F)C[C@H]1C ZINC001313934304 1071601869 /nfs/dbraw/zinc/60/18/69/1071601869.db2.gz RCRPWFZMJKEEHZ-CYBMUJFWSA-N 1 1 476.341 3.659 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313935434 1071604824 /nfs/dbraw/zinc/60/48/24/1071604824.db2.gz WIFOHOYYOLFEMH-MAUKXSAKSA-N 1 1 467.456 3.638 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CCCC2)C[C@H]1C ZINC001313935146 1071604909 /nfs/dbraw/zinc/60/49/09/1071604909.db2.gz XNXSJBLOMFENEL-HXUWFJFHSA-N 1 1 488.702 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC001313935187 1071605495 /nfs/dbraw/zinc/60/54/95/1071605495.db2.gz FJXRTIJMJXVDGN-NMMYMHLASA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nccs2)C[C@H]1C ZINC001313935238 1071605554 /nfs/dbraw/zinc/60/55/54/1071605554.db2.gz GHZZLEWINFYJCU-CQSZACIVSA-N 1 1 477.432 3.751 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313935874 1071607403 /nfs/dbraw/zinc/60/74/03/1071607403.db2.gz JYQOWSIQFKPVCX-SFYKDHMMSA-N 1 1 457.619 3.554 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001313937495 1071611440 /nfs/dbraw/zinc/61/14/40/1071611440.db2.gz VKNPXMNGDMVXJR-MRXNPFEDSA-N 1 1 470.643 3.809 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313937511 1071611515 /nfs/dbraw/zinc/61/15/15/1071611515.db2.gz VPEUKJGYODFRDX-LJQANCHMSA-N 1 1 486.661 3.576 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313938315 1071612038 /nfs/dbraw/zinc/61/20/38/1071612038.db2.gz ZCGHLGHCWSXQQO-MRXNPFEDSA-N 1 1 475.519 3.536 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313938258 1071612116 /nfs/dbraw/zinc/61/21/16/1071612116.db2.gz YHORJSHNGJKBGE-IBGZPJMESA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313940344 1071614751 /nfs/dbraw/zinc/61/47/51/1071614751.db2.gz WCZGRACUBPUNFH-VQTJNVASSA-N 1 1 469.634 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313941434 1071617474 /nfs/dbraw/zinc/61/74/74/1071617474.db2.gz CYRIVVWZUNPISA-GOSISDBHSA-N 1 1 485.430 3.902 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313941435 1071617609 /nfs/dbraw/zinc/61/76/09/1071617609.db2.gz CYRIVVWZUNPISA-SFHVURJKSA-N 1 1 485.430 3.902 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313941841 1071618253 /nfs/dbraw/zinc/61/82/53/1071618253.db2.gz YBYQVWZJUPGFHG-RTBURBONSA-N 1 1 476.691 3.964 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C[C@H]1C ZINC001313942214 1071619617 /nfs/dbraw/zinc/61/96/17/1071619617.db2.gz GBOLSMVIYROPTO-QRQLOZEOSA-N 1 1 490.052 3.676 20 0 JHADMO CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC001313942170 1071619660 /nfs/dbraw/zinc/61/96/60/1071619660.db2.gz FEFVQOCZZDWKFE-OAQYLSRUSA-N 1 1 473.710 3.957 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001313942593 1071620831 /nfs/dbraw/zinc/62/08/31/1071620831.db2.gz KSDDBHXEDHLDDF-HXUWFJFHSA-N 1 1 466.655 3.774 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313943468 1071622620 /nfs/dbraw/zinc/62/26/20/1071622620.db2.gz RYNDPMHUHANYJC-QFIPXVFZSA-N 1 1 465.646 3.990 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(F)cc2)C[C@H]1C ZINC001313945980 1071627803 /nfs/dbraw/zinc/62/78/03/1071627803.db2.gz MUWHFNFHOLWOEV-HXUWFJFHSA-N 1 1 452.578 3.793 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313943460 1071623363 /nfs/dbraw/zinc/62/33/63/1071623363.db2.gz SQZYJBAAHJPWKG-NRFANRHFSA-N 1 1 451.619 3.866 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944800 1071625042 /nfs/dbraw/zinc/62/50/42/1071625042.db2.gz GNCTZIHCCPHOCM-ZEQRLZLVSA-N 1 1 498.716 3.802 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946874 1071630397 /nfs/dbraw/zinc/63/03/97/1071630397.db2.gz DQHAPBLQHZYMNZ-FSSWDIPSSA-N 1 1 489.709 3.612 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947196 1071630875 /nfs/dbraw/zinc/63/08/75/1071630875.db2.gz GJJQTWFSWNRZGM-UXHICEINSA-N 1 1 484.670 3.761 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313947598 1071632285 /nfs/dbraw/zinc/63/22/85/1071632285.db2.gz IRVSTAHUKPKFGK-MRXNPFEDSA-N 1 1 483.444 3.609 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947452 1071632367 /nfs/dbraw/zinc/63/23/67/1071632367.db2.gz HHLJVECSHAMBPP-SQJMNOBHSA-N 1 1 484.689 3.907 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947855 1071632960 /nfs/dbraw/zinc/63/29/60/1071632960.db2.gz CYGJKPFPLUSSOM-HSZRJFAPSA-N 1 1 468.690 3.776 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313948591 1071634177 /nfs/dbraw/zinc/63/41/77/1071634177.db2.gz LRICYCNZMBNJSA-LJQANCHMSA-N 1 1 458.676 3.594 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)CC1 ZINC001313948677 1071634539 /nfs/dbraw/zinc/63/45/39/1071634539.db2.gz FOJOAZPZTYBDQP-QGZVFWFLSA-N 1 1 478.483 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C[C@H]1C ZINC001313948950 1071635226 /nfs/dbraw/zinc/63/52/26/1071635226.db2.gz MPQMZPMSVVZKTD-RZTXVSJASA-N 1 1 457.619 3.744 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)CC1 ZINC001313949527 1071636313 /nfs/dbraw/zinc/63/63/13/1071636313.db2.gz JNMHGZCXPDQHQO-SFHVURJKSA-N 1 1 495.499 3.734 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313949529 1071636981 /nfs/dbraw/zinc/63/69/81/1071636981.db2.gz JOCFSLOQOQFPEW-IBGZPJMESA-N 1 1 473.463 3.708 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313949727 1071637078 /nfs/dbraw/zinc/63/70/78/1071637078.db2.gz QVSQCJMPAQNLGC-IBGZPJMESA-N 1 1 458.676 3.572 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950554 1071638887 /nfs/dbraw/zinc/63/88/87/1071638887.db2.gz VNVPZFHWMWOIBN-LEWJYISDSA-N 1 1 491.775 3.628 20 0 JHADMO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313952011 1071643830 /nfs/dbraw/zinc/64/38/30/1071643830.db2.gz CLZZZPUCYKYHOR-OAQYLSRUSA-N 1 1 491.725 3.512 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952527 1071645764 /nfs/dbraw/zinc/64/57/64/1071645764.db2.gz RJRQOGDGHNKMQM-VWNXMTODSA-N 1 1 468.690 3.817 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313952443 1071645776 /nfs/dbraw/zinc/64/57/76/1071645776.db2.gz QEDBXBJZVCWPCD-VJBWXMMDSA-N 1 1 484.689 3.764 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313953631 1071648893 /nfs/dbraw/zinc/64/88/93/1071648893.db2.gz JSAYRUJGSPSSBB-IBGZPJMESA-N 1 1 463.095 3.958 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953669 1071649490 /nfs/dbraw/zinc/64/94/90/1071649490.db2.gz HJNDAQIYDDUEAM-UHFFFAOYSA-N 1 1 452.569 3.594 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955926 1071656856 /nfs/dbraw/zinc/65/68/56/1071656856.db2.gz WEKCRGUPQIFGNV-PZJWPPBQSA-N 1 1 494.606 3.711 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313956211 1071657334 /nfs/dbraw/zinc/65/73/34/1071657334.db2.gz XTNXRSNGPGXWQU-GOTSBHOMSA-N 1 1 461.658 3.854 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3F)nnc2N(C)Cc2nccs2)CC1 ZINC001313955058 1071654136 /nfs/dbraw/zinc/65/41/36/1071654136.db2.gz RVHNXLYVKDMDHH-UHFFFAOYSA-N 1 1 457.623 3.595 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313955056 1071654171 /nfs/dbraw/zinc/65/41/71/1071654171.db2.gz DWHRZPDXSSXEMY-NRFANRHFSA-N 1 1 464.658 3.989 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001313956006 1071657388 /nfs/dbraw/zinc/65/73/88/1071657388.db2.gz XAGUZFKSJMOCRK-SFTDATJTSA-N 1 1 475.081 3.735 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956155 1071657481 /nfs/dbraw/zinc/65/74/81/1071657481.db2.gz BJCNAKLOJRCAQS-NRFANRHFSA-N 1 1 480.579 3.601 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956862 1071658860 /nfs/dbraw/zinc/65/88/60/1071658860.db2.gz NZVGRRMIWWBOCP-HSZRJFAPSA-N 1 1 481.733 3.694 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313957797 1071661347 /nfs/dbraw/zinc/66/13/47/1071661347.db2.gz IVXRDENQKDUHEH-NRFANRHFSA-N 1 1 463.095 3.958 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957935 1071661884 /nfs/dbraw/zinc/66/18/84/1071661884.db2.gz SKKQYDTUBHQTDX-AQNXPRMDSA-N 1 1 460.617 3.513 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958469 1071664072 /nfs/dbraw/zinc/66/40/72/1071664072.db2.gz XCIKGDCSGURNBY-CYFREDJKSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958842 1071665066 /nfs/dbraw/zinc/66/50/66/1071665066.db2.gz YIHQRABJXGPRMC-RTWAWAEBSA-N 1 1 467.687 3.796 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C)CC2)CC1 ZINC001313958990 1071665696 /nfs/dbraw/zinc/66/56/96/1071665696.db2.gz ZRMADMQIKYLXBH-UHFFFAOYSA-N 1 1 461.054 3.871 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961510 1071672875 /nfs/dbraw/zinc/67/28/75/1071672875.db2.gz UPOFIOPBFFVETF-RLWLMLJZSA-N 1 1 488.652 3.590 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966693 1071687298 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O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001164450443 719000093 /nfs/dbraw/zinc/00/00/93/719000093.db2.gz WDEDIXBDQHLTRJ-SJORKVTESA-N 1 1 479.940 3.570 20 0 JHADMO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164620774 719008003 /nfs/dbraw/zinc/00/80/03/719008003.db2.gz ZLVZTPBWAMEGML-SVEHJYQDSA-N 1 1 474.649 3.789 20 0 JHADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164622288 719094141 /nfs/dbraw/zinc/09/41/41/719094141.db2.gz BQHUOOLXWRICGR-ISKFKSNPSA-N 1 1 473.602 3.769 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)n1 ZINC001164651914 719305110 /nfs/dbraw/zinc/30/51/10/719305110.db2.gz MRWRBULSNYXSOH-YYDVJCTNSA-N 1 1 471.671 3.756 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164652806 719313445 /nfs/dbraw/zinc/31/34/45/719313445.db2.gz QNFNAPNSHCYYFS-UHFFFAOYSA-N 1 1 472.634 3.759 20 0 JHADMO C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccccc2)nc1)C1CC1 ZINC001164654930 719322692 /nfs/dbraw/zinc/32/26/92/719322692.db2.gz TTYWGDKOCWTXBQ-HHHXNRCGSA-N 1 1 474.630 3.986 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)c1 ZINC001164663423 719357627 /nfs/dbraw/zinc/35/76/27/719357627.db2.gz FGVRLHXNKCPLFC-NRFANRHFSA-N 1 1 499.031 3.981 20 0 JHADMO CCn1nnc2c1[C@@H](COC)CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164664808 719362098 /nfs/dbraw/zinc/36/20/98/719362098.db2.gz SDMVJEZSSJSGNB-QGZVFWFLSA-N 1 1 463.611 3.782 20 0 JHADMO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1)N1CCCC1 ZINC001164677835 719541553 /nfs/dbraw/zinc/54/15/53/719541553.db2.gz HCQOURBRGPADIX-HLAWJBBLSA-N 1 1 495.693 3.772 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)c2c1C ZINC001164679018 719541921 /nfs/dbraw/zinc/54/19/21/719541921.db2.gz QGHHWVATFDZBDN-QHAWAJNXSA-N 1 1 483.682 3.900 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1ccn3COCC[Si](C)(C)C)CC2 ZINC001164683722 719729527 /nfs/dbraw/zinc/72/95/27/719729527.db2.gz DKDWQWGDQJCACR-UHFFFAOYSA-N 1 1 493.128 3.578 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164691625 719771479 /nfs/dbraw/zinc/77/14/79/719771479.db2.gz PDLPVLVGDJGVOM-VQTJNVASSA-N 1 1 464.639 3.925 20 0 JHADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc2C1 ZINC001164697165 719816928 /nfs/dbraw/zinc/81/69/28/719816928.db2.gz AEWDDHMDSPLDMR-SFHVURJKSA-N 1 1 455.628 3.545 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164697899 719835705 /nfs/dbraw/zinc/83/57/05/719835705.db2.gz ZLOVYTWSDPUIAO-LADGPHEKSA-N 1 1 461.614 3.863 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC001164704673 719846702 /nfs/dbraw/zinc/84/67/02/719846702.db2.gz SHAJESCJTDGWSG-KOSHJBKYSA-N 1 1 452.580 3.591 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3cccs3)c21 ZINC001164698606 719847139 /nfs/dbraw/zinc/84/71/39/719847139.db2.gz GFSPKSKCQCHLFK-QRQCRPRQSA-N 1 1 458.609 3.653 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001164700098 719850829 /nfs/dbraw/zinc/85/08/29/719850829.db2.gz GIBHFKJIVWZIQP-UQBPGWFLSA-N 1 1 466.607 3.899 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccsc2)nc2ccccc21 ZINC001164704978 719869233 /nfs/dbraw/zinc/86/92/33/719869233.db2.gz MLUAGEYVGREHFB-KOSHJBKYSA-N 1 1 452.580 3.591 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164700349 719886041 /nfs/dbraw/zinc/88/60/41/719886041.db2.gz KHBVLMPJEUMYBG-UHFFFAOYSA-N 1 1 491.617 3.992 20 0 JHADMO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2N1C1CCCC1 ZINC001164698159 719891883 /nfs/dbraw/zinc/89/18/83/719891883.db2.gz PBKTXHFIGURWBV-QFIPXVFZSA-N 1 1 496.681 3.889 20 0 JHADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCC(C)CC4)nc4sc5c(c42)CCC5)C3)n1 ZINC001164801160 720059993 /nfs/dbraw/zinc/05/99/93/720059993.db2.gz FRXGYZKKUNVYGS-SSOJOUAXSA-N 1 1 480.638 3.508 20 0 JHADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+](C)C)nc4scc(-c5ccccc5)c42)C3)n1 ZINC001164802389 720061732 /nfs/dbraw/zinc/06/17/32/720061732.db2.gz IBAWTJBJUBHUAQ-BXKMTCNYSA-N 1 1 462.579 3.516 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810996 720094246 /nfs/dbraw/zinc/09/42/46/720094246.db2.gz MRFJTFHXFPNWIR-RLWLMLJZSA-N 1 1 468.045 3.831 20 0 JHADMO CCOC(=O)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ncc1Cl ZINC001164711586 720097957 /nfs/dbraw/zinc/09/79/57/720097957.db2.gz REMPCCMWKHLMHJ-LJQANCHMSA-N 1 1 458.990 3.814 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164710769 720102772 /nfs/dbraw/zinc/10/27/72/720102772.db2.gz MHZJUZDHRQLECX-FQEVSTJZSA-N 1 1 463.582 3.550 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164814393 720108670 /nfs/dbraw/zinc/10/86/70/720108670.db2.gz SDVYZXXEGLBDCD-XDHUDOTRSA-N 1 1 458.990 3.645 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164715520 720112460 /nfs/dbraw/zinc/11/24/60/720112460.db2.gz GXPQOMKHMBRVTD-HSZRJFAPSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164711690 720143335 /nfs/dbraw/zinc/14/33/35/720143335.db2.gz HXKGGEMVDKLMQR-HSZRJFAPSA-N 1 1 450.631 3.615 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817232 720192921 /nfs/dbraw/zinc/19/29/21/720192921.db2.gz PBEGCBUNGBUEDW-YIXXDRMTSA-N 1 1 450.627 3.878 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)C2 ZINC001164817229 720193975 /nfs/dbraw/zinc/19/39/75/720193975.db2.gz PBEGCBUNGBUEDW-HOFKKMOUSA-N 1 1 450.627 3.878 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814142 720206744 /nfs/dbraw/zinc/20/67/44/720206744.db2.gz SYBLWLSXIXFZKJ-VGSWGCGISA-N 1 1 454.446 3.958 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CCC2 ZINC001164816094 720248320 /nfs/dbraw/zinc/24/83/20/720248320.db2.gz GPFYGBHFLDLHPX-UHFFFAOYSA-N 1 1 460.793 3.506 20 0 JHADMO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cs1 ZINC001164817811 720253928 /nfs/dbraw/zinc/25/39/28/720253928.db2.gz URJPDVVXFRPYSN-BJKOFHAPSA-N 1 1 474.634 3.570 20 0 JHADMO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cs1 ZINC001164817811 720253948 /nfs/dbraw/zinc/25/39/48/720253948.db2.gz URJPDVVXFRPYSN-BJKOFHAPSA-N 1 1 474.634 3.570 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735894 720415955 /nfs/dbraw/zinc/41/59/55/720415955.db2.gz ZBQPRDJNDXHTMN-SFTDATJTSA-N 1 1 453.587 3.606 20 0 JHADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164824263 720422013 /nfs/dbraw/zinc/42/20/13/720422013.db2.gz KDBOZETZKPRMBN-SBHAEUEKSA-N 1 1 497.709 3.779 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c2c1C ZINC001164723621 720502769 /nfs/dbraw/zinc/50/27/69/720502769.db2.gz CUSINDCMMNRVRX-FNZWTVRRSA-N 1 1 492.649 3.923 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832480 720518487 /nfs/dbraw/zinc/51/84/87/720518487.db2.gz AYVFQHXJKAPFKO-GBESFXJTSA-N 1 1 480.007 3.849 20 0 JHADMO 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 720539335 /nfs/dbraw/zinc/53/93/35/720539335.db2.gz UDYNKUUGZLGWGS-JTDSTZFVSA-N 1 1 467.948 3.641 20 0 JHADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833818 720543822 /nfs/dbraw/zinc/54/38/22/720543822.db2.gz BTGLEYRNJANZLB-NAMDQGSHSA-N 1 1 492.672 3.531 20 0 JHADMO 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 720557361 /nfs/dbraw/zinc/55/73/61/720557361.db2.gz USSOEQGQBWIAHY-QHAWAJNXSA-N 1 1 459.038 3.791 20 0 JHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843134 720576940 /nfs/dbraw/zinc/57/69/40/720576940.db2.gz WSPYOTJEDPNNTK-TZBSWOFLSA-N 1 1 475.641 3.590 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738093 720650429 /nfs/dbraw/zinc/65/04/29/720650429.db2.gz AFWBPFYAAHBEQH-KBPBESRZSA-N 1 1 467.307 3.613 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738093 720650450 /nfs/dbraw/zinc/65/04/50/720650450.db2.gz AFWBPFYAAHBEQH-KBPBESRZSA-N 1 1 467.307 3.613 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164840947 720671399 /nfs/dbraw/zinc/67/13/99/720671399.db2.gz OENVBSZMXRDYLK-NRFANRHFSA-N 1 1 479.650 3.788 20 0 JHADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836482 720713220 /nfs/dbraw/zinc/71/32/20/720713220.db2.gz BHQNDJBKSSEMLU-DNQXCXABSA-N 1 1 493.652 3.516 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164836983 720723584 /nfs/dbraw/zinc/72/35/84/720723584.db2.gz CKGMSJFLRWEHQZ-INIZCTEOSA-N 1 1 459.381 3.987 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739872 720730068 /nfs/dbraw/zinc/73/00/68/720730068.db2.gz JBYQSEYMKWEUJL-ROUUACIJSA-N 1 1 497.958 3.850 20 0 JHADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741149 720765135 /nfs/dbraw/zinc/76/51/35/720765135.db2.gz MKMQIAQQZWRDRM-CVEARBPZSA-N 1 1 450.593 3.860 20 0 JHADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164751984 720805883 /nfs/dbraw/zinc/80/58/83/720805883.db2.gz YINRIDNNJQMHQR-SJORKVTESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164751984 720805888 /nfs/dbraw/zinc/80/58/88/720805888.db2.gz YINRIDNNJQMHQR-SJORKVTESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164751978 720806169 /nfs/dbraw/zinc/80/61/69/720806169.db2.gz YINRIDNNJQMHQR-DLBZAZTESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164751978 720806172 /nfs/dbraw/zinc/80/61/72/720806172.db2.gz YINRIDNNJQMHQR-DLBZAZTESA-N 1 1 476.890 3.613 20 0 JHADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CN1Cc1ccncc1 ZINC001164854658 720813008 /nfs/dbraw/zinc/81/30/08/720813008.db2.gz VEAFLMCWQXYADM-TZIWHRDSSA-N 1 1 488.661 3.656 20 0 JHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742659 720817890 /nfs/dbraw/zinc/81/78/90/720817890.db2.gz QJOGRQDNTYMIMI-DJPFJPOOSA-N 1 1 473.959 3.799 20 0 JHADMO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738107 720822541 /nfs/dbraw/zinc/82/25/41/720822541.db2.gz DQESYYQWCREFSS-XAUMDUMWSA-N 1 1 458.397 3.908 20 0 JHADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742715 720827769 /nfs/dbraw/zinc/82/77/69/720827769.db2.gz QREMNOGPRSJZEL-NPPFBWRTSA-N 1 1 452.990 3.868 20 0 JHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751866 720832634 /nfs/dbraw/zinc/83/26/34/720832634.db2.gz ZKPMNSQUOZBKRQ-UMXIMWEHSA-N 1 1 486.599 3.590 20 0 JHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740588 720836972 /nfs/dbraw/zinc/83/69/72/720836972.db2.gz CXNKSEXBGKKXFF-SQGPQFPESA-N 1 1 473.959 3.799 20 0 JHADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751007 720838049 /nfs/dbraw/zinc/83/80/49/720838049.db2.gz XQHVBRICBYHYIM-NNMXDRDESA-N 1 1 452.990 3.868 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164748337 720842971 /nfs/dbraw/zinc/84/29/71/720842971.db2.gz UHSOUMIHDUFVHM-CCDWMCETSA-N 1 1 481.604 3.696 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745186 720844219 /nfs/dbraw/zinc/84/42/19/720844219.db2.gz MMRMAADHFSDBNX-BFLUCZKCSA-N 1 1 486.620 3.815 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164856463 720844789 /nfs/dbraw/zinc/84/47/89/720844789.db2.gz WRMUAQLREXZEET-HXOBKFHXSA-N 1 1 454.521 3.749 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164856465 720845038 /nfs/dbraw/zinc/84/50/38/720845038.db2.gz WRMUAQLREXZEET-SBUREZEXSA-N 1 1 454.521 3.749 20 0 JHADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743700 720847405 /nfs/dbraw/zinc/84/74/05/720847405.db2.gz JVHRSFBQRCEVLU-DNRQZRRGSA-N 1 1 466.593 3.663 20 0 JHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164740045 720850824 /nfs/dbraw/zinc/85/08/24/720850824.db2.gz BQVGXXZDTBCOLH-SESVDKBCSA-N 1 1 467.980 3.907 20 0 JHADMO Fc1ccc(COc2cccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751867 720851386 /nfs/dbraw/zinc/85/13/86/720851386.db2.gz RFNUMWTZELJVSY-OEMFJLHTSA-N 1 1 462.573 3.771 20 0 JHADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748662 720857393 /nfs/dbraw/zinc/85/73/93/720857393.db2.gz LJSPOKPDLNQSGO-OWCLPIDISA-N 1 1 473.355 3.784 20 0 JHADMO Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1 ZINC001164748235 720860435 /nfs/dbraw/zinc/86/04/35/720860435.db2.gz LGOCBVSEDDODHA-LZLYRXPVSA-N 1 1 471.820 3.669 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164856085 720865784 /nfs/dbraw/zinc/86/57/84/720865784.db2.gz OKWNIYFMGFFPBQ-VGSWGCGISA-N 1 1 491.991 3.891 20 0 JHADMO COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754331 720873111 /nfs/dbraw/zinc/87/31/11/720873111.db2.gz RETOSJKZZPBYPU-OFVILXPXSA-N 1 1 471.001 3.672 20 0 JHADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749103 720874110 /nfs/dbraw/zinc/87/41/10/720874110.db2.gz GTCULYLCILJVGV-KNQAVFIVSA-N 1 1 463.960 3.825 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164857378 720876522 /nfs/dbraw/zinc/87/65/22/720876522.db2.gz JHVQIFBHZPGUFY-AEFFLSMTSA-N 1 1 462.685 3.607 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164857381 720876752 /nfs/dbraw/zinc/87/67/52/720876752.db2.gz JHVQIFBHZPGUFY-FUHWJXTLSA-N 1 1 462.685 3.607 20 0 JHADMO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc21 ZINC001164754040 720881923 /nfs/dbraw/zinc/88/19/23/720881923.db2.gz QUSMCFMZSSGPCK-DWACAAAGSA-N 1 1 487.604 3.567 20 0 JHADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757875 720882970 /nfs/dbraw/zinc/88/29/70/720882970.db2.gz WAKDTYIMCWMKBZ-AJTFRIOCSA-N 1 1 494.640 3.974 20 0 JHADMO COc1cc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1OC ZINC001164754019 720886794 /nfs/dbraw/zinc/88/67/94/720886794.db2.gz IILHXOCMGKQIOE-DFHRPNOPSA-N 1 1 489.620 3.797 20 0 JHADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755679 720895278 /nfs/dbraw/zinc/89/52/78/720895278.db2.gz MNMSVWSAOBGJKT-AJTFRIOCSA-N 1 1 479.625 3.582 20 0 JHADMO Fc1ncccc1-c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757839 720898830 /nfs/dbraw/zinc/89/88/30/720898830.db2.gz VVQIQBGFIXQNPJ-AJTFRIOCSA-N 1 1 474.584 3.828 20 0 JHADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758859 720899830 /nfs/dbraw/zinc/89/98/30/720899830.db2.gz ZXNOCNUBIUBNOD-KNQAVFIVSA-N 1 1 463.960 3.825 20 0 JHADMO FC(F)(c1cncc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758858 720900462 /nfs/dbraw/zinc/90/04/62/720900462.db2.gz ZXNOCNUBIUBNOD-DENIHFKCSA-N 1 1 463.960 3.825 20 0 JHADMO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH]c2n1 ZINC001164757508 720901364 /nfs/dbraw/zinc/90/13/64/720901364.db2.gz VKLDXJGLJMFRPO-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO COc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc21 ZINC001164748079 720910135 /nfs/dbraw/zinc/91/01/35/720910135.db2.gz FQOMZRLRLOARTK-CUNXSJBXSA-N 1 1 459.594 3.789 20 0 JHADMO CC(C)n1cnc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753147 720912381 /nfs/dbraw/zinc/91/23/81/720912381.db2.gz QKWXGNXPAWVVIG-NVQXNPDNSA-N 1 1 461.614 3.557 20 0 JHADMO COc1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164754224 720914186 /nfs/dbraw/zinc/91/41/86/720914186.db2.gz UPYACKYLPUCGKT-WXVAWEFUSA-N 1 1 459.594 3.789 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(-c4ccncc4)ncn2)C3)c1 ZINC001164753188 720914398 /nfs/dbraw/zinc/91/43/98/720914398.db2.gz QUGXMPPIZFILAW-SHQCIBLASA-N 1 1 456.594 3.689 20 0 JHADMO CN(C)C(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751502 720914699 /nfs/dbraw/zinc/91/46/99/720914699.db2.gz MRNPFIHCTZYIBF-ATIYNZHBSA-N 1 1 484.044 3.587 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)[C@@H]2C ZINC001164860631 720940543 /nfs/dbraw/zinc/94/05/43/720940543.db2.gz QOZVJUVJVOVPMC-SNVBAGLBSA-N 1 1 455.781 3.998 20 0 JHADMO CC(C)CN1[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164758931 720972362 /nfs/dbraw/zinc/97/23/62/720972362.db2.gz XFEPVWTULGRBOE-DHIUTWEWSA-N 1 1 484.666 3.753 20 0 JHADMO CC(C)CN1[C@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164758934 720972638 /nfs/dbraw/zinc/97/26/38/720972638.db2.gz XFEPVWTULGRBOE-XZOQPEGZSA-N 1 1 484.666 3.753 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)[C@@H]2C ZINC001164864445 721021005 /nfs/dbraw/zinc/02/10/05/721021005.db2.gz XPMFTWJOAMZTGJ-CQSZACIVSA-N 1 1 456.925 3.990 20 0 JHADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]2C1=O ZINC001164862277 721028149 /nfs/dbraw/zinc/02/81/49/721028149.db2.gz PTXLPQVWYFDTDZ-VSKRKVRLSA-N 1 1 461.050 3.678 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)C2)cc1 ZINC001164766489 721028342 /nfs/dbraw/zinc/02/83/42/721028342.db2.gz QVEGWBWKGCUPHJ-CUBQBAPOSA-N 1 1 471.605 3.775 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)C2)cc1 ZINC001164766489 721028347 /nfs/dbraw/zinc/02/83/47/721028347.db2.gz QVEGWBWKGCUPHJ-CUBQBAPOSA-N 1 1 471.605 3.775 20 0 JHADMO CCn1nnc2c1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@@H]2COCc1ccccc1 ZINC001164764885 721048232 /nfs/dbraw/zinc/04/82/32/721048232.db2.gz BUVFHLANAJNCOB-HHHXNRCGSA-N 1 1 495.631 3.967 20 0 JHADMO CCn1nnc2c1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@@H]2COCc1ccccc1 ZINC001164764885 721048236 /nfs/dbraw/zinc/04/82/36/721048236.db2.gz BUVFHLANAJNCOB-HHHXNRCGSA-N 1 1 495.631 3.967 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071573 /nfs/dbraw/zinc/07/15/73/721071573.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 1 1 455.606 3.515 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071577 /nfs/dbraw/zinc/07/15/77/721071577.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 1 1 455.606 3.515 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866733 721092732 /nfs/dbraw/zinc/09/27/32/721092732.db2.gz UTIFWRBACSDQGB-NHCUHLMSSA-N 1 1 451.958 3.584 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C(=O)NCc4cccs4)C[C@H]3C2)cn1 ZINC001164771350 721161978 /nfs/dbraw/zinc/16/19/78/721161978.db2.gz SGSXEYNLTHZKSZ-DLBZAZTESA-N 1 1 489.020 3.557 20 0 JHADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164766055 721198750 /nfs/dbraw/zinc/19/87/50/721198750.db2.gz IVSSPVQHKNSHKL-DNQXCXABSA-N 1 1 455.610 3.788 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164771499 721218835 /nfs/dbraw/zinc/21/88/35/721218835.db2.gz QPWHSFCZZWWMBL-FGZHOGPDSA-N 1 1 454.578 3.997 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164771498 721219965 /nfs/dbraw/zinc/21/99/65/721219965.db2.gz QPWHSFCZZWWMBL-FCHUYYIVSA-N 1 1 454.578 3.997 20 0 JHADMO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878260 721256382 /nfs/dbraw/zinc/25/63/82/721256382.db2.gz TZYYMFQUSPYWKN-SETSBSEESA-N 1 1 497.643 3.983 20 0 JHADMO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878260 721256393 /nfs/dbraw/zinc/25/63/93/721256393.db2.gz TZYYMFQUSPYWKN-SETSBSEESA-N 1 1 497.643 3.983 20 0 JHADMO c1ncn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@H](COc1cccnc1)C2 ZINC001164768459 721273434 /nfs/dbraw/zinc/27/34/34/721273434.db2.gz USEPRVQUQQDHIH-QHCPKHFHSA-N 1 1 466.589 3.947 20 0 JHADMO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164776732 721308035 /nfs/dbraw/zinc/30/80/35/721308035.db2.gz PDUBYDPGUQFPIQ-UHFFFAOYSA-N 1 1 470.017 3.718 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)c2c1C ZINC001164881327 721309110 /nfs/dbraw/zinc/30/91/10/721309110.db2.gz VMFQVCDPLMJYJR-BGYRXZFFSA-N 1 1 497.690 3.661 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)c2c1C ZINC001164881329 721309190 /nfs/dbraw/zinc/30/91/90/721309190.db2.gz VMFQVCDPLMJYJR-PMACEKPBSA-N 1 1 497.690 3.661 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164777969 721334221 /nfs/dbraw/zinc/33/42/21/721334221.db2.gz RLHPSJCWLJQSMA-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164777969 721334228 /nfs/dbraw/zinc/33/42/28/721334228.db2.gz RLHPSJCWLJQSMA-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776050 721334503 /nfs/dbraw/zinc/33/45/03/721334503.db2.gz CCDUWRLSRUGKKI-XMMPIXPASA-N 1 1 477.005 3.944 20 0 JHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776050 721334507 /nfs/dbraw/zinc/33/45/07/721334507.db2.gz CCDUWRLSRUGKKI-XMMPIXPASA-N 1 1 477.005 3.944 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164778685 721349691 /nfs/dbraw/zinc/34/96/91/721349691.db2.gz NTARCYRIQFEQAC-RUZDIDTESA-N 1 1 456.587 3.761 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164778685 721349693 /nfs/dbraw/zinc/34/96/93/721349693.db2.gz NTARCYRIQFEQAC-RUZDIDTESA-N 1 1 456.587 3.761 20 0 JHADMO Cc1nc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777842 721353534 /nfs/dbraw/zinc/35/35/34/721353534.db2.gz IUBYMAYVKOTLTD-NRFANRHFSA-N 1 1 463.007 3.772 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778549 721354761 /nfs/dbraw/zinc/35/47/61/721354761.db2.gz NAOQUWUFZLRVMU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778549 721354768 /nfs/dbraw/zinc/35/47/68/721354768.db2.gz NAOQUWUFZLRVMU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779915 721355211 /nfs/dbraw/zinc/35/52/11/721355211.db2.gz WZFJOKUAIPRZET-VWLOTQADSA-N 1 1 490.048 3.941 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779915 721355215 /nfs/dbraw/zinc/35/52/15/721355215.db2.gz WZFJOKUAIPRZET-VWLOTQADSA-N 1 1 490.048 3.941 20 0 JHADMO COc1cc2c(cc1F)ncnc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782305 721359221 /nfs/dbraw/zinc/35/92/21/721359221.db2.gz MTLUABAMHRBWOK-DEOSSOPVSA-N 1 1 455.534 3.501 20 0 JHADMO COc1cccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164780243 721366343 /nfs/dbraw/zinc/36/63/43/721366343.db2.gz DQQRCYRHHZWQLB-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1cccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164780243 721366348 /nfs/dbraw/zinc/36/63/48/721366348.db2.gz DQQRCYRHHZWQLB-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccc(-c2cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164784014 721367351 /nfs/dbraw/zinc/36/73/51/721367351.db2.gz QEYMDZGDZLSFGG-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccc(-c2cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164784014 721367353 /nfs/dbraw/zinc/36/73/53/721367353.db2.gz QEYMDZGDZLSFGG-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 ZINC001164886269 721372545 /nfs/dbraw/zinc/37/25/45/721372545.db2.gz MEKCCNTUNSCJKS-DEOSSOPVSA-N 1 1 467.643 3.517 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164788546 721375026 /nfs/dbraw/zinc/37/50/26/721375026.db2.gz ZRAWSBWOIMNGML-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164788546 721375031 /nfs/dbraw/zinc/37/50/31/721375031.db2.gz ZRAWSBWOIMNGML-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)n1 ZINC001164892203 721376810 /nfs/dbraw/zinc/37/68/10/721376810.db2.gz SEEOVQZDEQSURY-HSZRJFAPSA-N 1 1 479.716 3.934 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)O2)CC1 ZINC001164893536 721386284 /nfs/dbraw/zinc/38/62/84/721386284.db2.gz UYHGFXTVLBXOEP-VGOFRKELSA-N 1 1 465.976 3.594 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164789839 721401617 /nfs/dbraw/zinc/40/16/17/721401617.db2.gz UPMZRELGBJNJFG-ROUUACIJSA-N 1 1 453.015 3.671 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164782920 721401840 /nfs/dbraw/zinc/40/18/40/721401840.db2.gz HIDXJZPMQSIJEM-CALCHBBNSA-N 1 1 451.987 3.553 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164782920 721401841 /nfs/dbraw/zinc/40/18/41/721401841.db2.gz HIDXJZPMQSIJEM-CALCHBBNSA-N 1 1 451.987 3.553 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)O2)CC1 ZINC001164886531 721408497 /nfs/dbraw/zinc/40/84/97/721408497.db2.gz JQFQLNMAEOPEKN-HTAPYJJXSA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883511 721411196 /nfs/dbraw/zinc/41/11/96/721411196.db2.gz AKOLSJORQHFIMO-AOMKIAJQSA-N 1 1 450.414 3.702 20 0 JHADMO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](CN2CC[NH+](C)CC2)O4)n1)CCCC3 ZINC001164894958 721432540 /nfs/dbraw/zinc/43/25/40/721432540.db2.gz NUSQGIWZTQTSPJ-KBMIEXCESA-N 1 1 455.672 3.644 20 0 JHADMO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O4)n1)CCC3 ZINC001164890757 721433380 /nfs/dbraw/zinc/43/33/80/721433380.db2.gz FEKIXHWDAHHFSZ-BVZFJXPGSA-N 1 1 455.672 3.508 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c(-c6ccccc6)nsc54)C3)O2)CC1 ZINC001164893829 721436268 /nfs/dbraw/zinc/43/62/68/721436268.db2.gz KUXAGWRJWRYRRC-CPJSRVTESA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)O2)CC1 ZINC001164894888 721436319 /nfs/dbraw/zinc/43/63/19/721436319.db2.gz MYGWAORSRWUAEX-VGSWGCGISA-N 1 1 481.975 3.700 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(Cl)c2c1 ZINC001164890289 721438603 /nfs/dbraw/zinc/43/86/03/721438603.db2.gz DDLVNWOORLDCSK-JPYJTQIMSA-N 1 1 496.002 3.602 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895796 721442901 /nfs/dbraw/zinc/44/29/01/721442901.db2.gz POAOXTYAGYRBSA-DHLKQENFSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897576 721444844 /nfs/dbraw/zinc/44/48/44/721444844.db2.gz UFEJGGXPJGLRFH-NBGIEHNGSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884285 721447094 /nfs/dbraw/zinc/44/70/94/721447094.db2.gz ANGJRZMVVWBGHI-SVEHJYQDSA-N 1 1 487.648 3.974 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164789469 721455286 /nfs/dbraw/zinc/45/52/86/721455286.db2.gz WPDMFLUZVFGWRS-GOSISDBHSA-N 1 1 465.038 3.629 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5O[C@H](C(=O)NCC6CC6)C[C@H]53)n2)CCC4)CC1 ZINC001164885914 721458513 /nfs/dbraw/zinc/45/85/13/721458513.db2.gz FWWWONOFMAHTCT-HKBOAZHASA-N 1 1 495.693 3.674 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5O[C@H](C(=O)NCC6CC6)C[C@@H]54)c23)C1 ZINC001164887171 721458932 /nfs/dbraw/zinc/45/89/32/721458932.db2.gz IZUSOYPJESISAT-SEVLPDGMSA-N 1 1 495.693 3.674 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)n1 ZINC001164886496 721459376 /nfs/dbraw/zinc/45/93/76/721459376.db2.gz GWURQTCHLCESGJ-ACRUOGEOSA-N 1 1 477.634 3.682 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1C ZINC001164787552 721459506 /nfs/dbraw/zinc/45/95/06/721459506.db2.gz RJZSAAYHRPUQKD-FQEVSTJZSA-N 1 1 480.049 3.954 20 0 JHADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788670 721459641 /nfs/dbraw/zinc/45/96/41/721459641.db2.gz VMBPZGSHOCSUGQ-JOCHJYFZSA-N 1 1 482.625 3.540 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164789372 721464031 /nfs/dbraw/zinc/46/40/31/721464031.db2.gz XMMYWBZNQXLMLY-XMMPIXPASA-N 1 1 462.638 3.976 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164788735 721465176 /nfs/dbraw/zinc/46/51/76/721465176.db2.gz JESNVJZOQWQRHQ-RPBOFIJWSA-N 1 1 485.669 3.872 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164791821 721468503 /nfs/dbraw/zinc/46/85/03/721468503.db2.gz ZRMUUAZLXKGDGC-QHCPKHFHSA-N 1 1 451.615 3.581 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164787239 721473814 /nfs/dbraw/zinc/47/38/14/721473814.db2.gz DMZVMTCWMRCDAW-HXUWFJFHSA-N 1 1 467.589 3.984 20 0 JHADMO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164896121 721474979 /nfs/dbraw/zinc/47/49/79/721474979.db2.gz VGBSSAGDAIGCAR-NDEPHWFRSA-N 1 1 468.605 3.592 20 0 JHADMO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164896121 721474980 /nfs/dbraw/zinc/47/49/80/721474980.db2.gz VGBSSAGDAIGCAR-NDEPHWFRSA-N 1 1 468.605 3.592 20 0 JHADMO O=C(C[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCC(F)CC1 ZINC001164894994 721477550 /nfs/dbraw/zinc/47/75/50/721477550.db2.gz QDHOWXLSEQESSQ-USZFVNFHSA-N 1 1 492.639 3.689 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898830 721495620 /nfs/dbraw/zinc/49/56/20/721495620.db2.gz IIKVKILHDNDDFH-SSGKUCQKSA-N 1 1 478.670 3.851 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164796674 721498135 /nfs/dbraw/zinc/49/81/35/721498135.db2.gz VCCZDKWNVKSDKL-UHFFFAOYSA-N 1 1 478.641 3.532 20 0 JHADMO 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 721498360 /nfs/dbraw/zinc/49/83/60/721498360.db2.gz OJBVZEIXJFHNIL-UEOMBKFZSA-N 1 1 484.685 3.912 20 0 JHADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164899755 721520694 /nfs/dbraw/zinc/52/06/94/721520694.db2.gz MINUQRPLKPBPRO-CTNGQTDRSA-N 1 1 458.965 3.842 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC[N@H+]3C2)c1 ZINC001164897600 721523192 /nfs/dbraw/zinc/52/31/92/721523192.db2.gz GACGCYBFUYACJT-DGCLKSJQSA-N 1 1 469.735 3.861 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910882 721531035 /nfs/dbraw/zinc/53/10/35/721531035.db2.gz USHSCOPZLXXXRD-GOEBONIOSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810069 721536293 /nfs/dbraw/zinc/53/62/93/721536293.db2.gz WWJCABBTJDCOPS-WAOWUJCRSA-N 1 1 478.975 3.538 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810069 721536295 /nfs/dbraw/zinc/53/62/95/721536295.db2.gz WWJCABBTJDCOPS-WAOWUJCRSA-N 1 1 478.975 3.538 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164810067 721536545 /nfs/dbraw/zinc/53/65/45/721536545.db2.gz WWJCABBTJDCOPS-UEXGIBASSA-N 1 1 478.975 3.538 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164810067 721536548 /nfs/dbraw/zinc/53/65/48/721536548.db2.gz WWJCABBTJDCOPS-UEXGIBASSA-N 1 1 478.975 3.538 20 0 JHADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909897 721543102 /nfs/dbraw/zinc/54/31/02/721543102.db2.gz SHWUJHVOMJGUCE-OFNKIYASSA-N 1 1 496.608 3.819 20 0 JHADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906494 721555920 /nfs/dbraw/zinc/55/59/20/721555920.db2.gz JRHRZDVSJDNWEV-TZIWHRDSSA-N 1 1 458.965 3.842 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164905898 721558111 /nfs/dbraw/zinc/55/81/11/721558111.db2.gz HXRGBDUUSSXIGD-RBBKRZOGSA-N 1 1 462.525 3.786 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164800444 721559195 /nfs/dbraw/zinc/55/91/95/721559195.db2.gz FNDHLOVNGCQRKH-ISJGIBHGSA-N 1 1 472.568 3.882 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)c2c1C ZINC001164903902 721580426 /nfs/dbraw/zinc/58/04/26/721580426.db2.gz OYHASXDNAWHSIQ-SANMLTNESA-N 1 1 493.681 3.960 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(C)n2)cc1 ZINC001164805064 721587797 /nfs/dbraw/zinc/58/77/97/721587797.db2.gz KOHVYRZKWHHKIW-FXSPECFOSA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(C)n2)cc1 ZINC001164805064 721587798 /nfs/dbraw/zinc/58/77/98/721587798.db2.gz KOHVYRZKWHHKIW-FXSPECFOSA-N 1 1 461.566 3.849 20 0 JHADMO COc1cccc(CN2C[C@H]3CC[N@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@H]3S2(=O)=O)c1 ZINC001164802585 721592804 /nfs/dbraw/zinc/59/28/04/721592804.db2.gz GVZJWAALXPWQEP-WIYYLYMNSA-N 1 1 464.031 3.905 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164803301 721603234 /nfs/dbraw/zinc/60/32/34/721603234.db2.gz VEGPHQUSNMRLER-TWJOJJKGSA-N 1 1 477.653 3.976 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164904843 721720003 /nfs/dbraw/zinc/72/00/03/721720003.db2.gz DHKQTKNOWVPAOW-OAQYLSRUSA-N 1 1 466.916 3.663 20 0 JHADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912600 721727631 /nfs/dbraw/zinc/72/76/31/721727631.db2.gz OKPGCMPIZMCZDI-HSZRJFAPSA-N 1 1 493.624 3.681 20 0 JHADMO CCOC(=O)c1cnc(SC)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908882 721744098 /nfs/dbraw/zinc/74/40/98/721744098.db2.gz NJUJFFLFGDWABG-UHFFFAOYSA-N 1 1 453.568 3.558 20 0 JHADMO CCOC(=O)c1cnc(SC)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908882 721744104 /nfs/dbraw/zinc/74/41/04/721744104.db2.gz NJUJFFLFGDWABG-UHFFFAOYSA-N 1 1 453.568 3.558 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001165012179 721748666 /nfs/dbraw/zinc/74/86/66/721748666.db2.gz BBAFOIZEVRSQSB-UHFFFAOYSA-N 1 1 454.871 3.822 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2COC[C@@H]12)C1CC1 ZINC001165016882 721763606 /nfs/dbraw/zinc/76/36/06/721763606.db2.gz YRRUMRXSUOWFGP-AQNXPRMDSA-N 1 1 454.640 3.796 20 0 JHADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CN1c1cccnc1 ZINC001165015695 721792075 /nfs/dbraw/zinc/79/20/75/721792075.db2.gz AVQRUHUHPJNUDO-PXNSSMCTSA-N 1 1 474.634 3.660 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)n1 ZINC001165026044 721792615 /nfs/dbraw/zinc/79/26/15/721792615.db2.gz XJJWOIFYABZRCD-AZUAARDMSA-N 1 1 470.602 3.914 20 0 JHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913247 721800025 /nfs/dbraw/zinc/80/00/25/721800025.db2.gz BVMQTYSXRWOAJU-XMMPIXPASA-N 1 1 474.939 3.978 20 0 JHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913247 721800027 /nfs/dbraw/zinc/80/00/27/721800027.db2.gz BVMQTYSXRWOAJU-XMMPIXPASA-N 1 1 474.939 3.978 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165021405 721804190 /nfs/dbraw/zinc/80/41/90/721804190.db2.gz GRRBCWPGTSDEBQ-CZTZKLFOSA-N 1 1 464.639 3.660 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]21 ZINC001165017759 721805086 /nfs/dbraw/zinc/80/50/86/721805086.db2.gz AKNPGQLKKOIYEE-DFQSSKMNSA-N 1 1 493.002 3.643 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001165026095 721816997 /nfs/dbraw/zinc/81/69/97/721816997.db2.gz PDXULXAVJBHYIG-POZUXBRTSA-N 1 1 454.962 3.530 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001165020694 721819372 /nfs/dbraw/zinc/81/93/72/721819372.db2.gz CNSZYAQSPXNFDF-QTGUNEKASA-N 1 1 451.615 3.690 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165020617 721824985 /nfs/dbraw/zinc/82/49/85/721824985.db2.gz CWCNFZNCEBMQHQ-NKKJXINNSA-N 1 1 471.671 3.538 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c2c1C ZINC001164928120 721840167 /nfs/dbraw/zinc/84/01/67/721840167.db2.gz WGJHMNSBAWKJRJ-RXFWQSSRSA-N 1 1 479.650 3.969 20 0 JHADMO CCOC(=O)c1cc2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nc2[nH]1 ZINC001165020446 721842688 /nfs/dbraw/zinc/84/26/88/721842688.db2.gz DOYABCJHXJHGHV-UHFFFAOYSA-N 1 1 452.555 3.858 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926262 721871662 /nfs/dbraw/zinc/87/16/62/721871662.db2.gz QZLOMVHFKCEHKB-RBUKOAKNSA-N 1 1 465.118 3.612 20 0 JHADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926262 721871663 /nfs/dbraw/zinc/87/16/63/721871663.db2.gz QZLOMVHFKCEHKB-RBUKOAKNSA-N 1 1 465.118 3.612 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932557 721880132 /nfs/dbraw/zinc/88/01/32/721880132.db2.gz JBAPEYXIRBVTLD-WOJBJXKFSA-N 1 1 479.650 3.592 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932557 721880133 /nfs/dbraw/zinc/88/01/33/721880133.db2.gz JBAPEYXIRBVTLD-WOJBJXKFSA-N 1 1 479.650 3.592 20 0 JHADMO CC(C)(C)C(=O)Nc1ccnc(N(Cc2cccnc2)Cc2ccccn2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165036717 721881245 /nfs/dbraw/zinc/88/12/45/721881245.db2.gz LUOMYWVCXRZXLR-QFIPXVFZSA-N 1 1 488.636 3.877 20 0 JHADMO CC(C)(C)C(=O)Nc1ccnc(N(Cc2cccnc2)Cc2ccccn2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165036717 721881248 /nfs/dbraw/zinc/88/12/48/721881248.db2.gz LUOMYWVCXRZXLR-QFIPXVFZSA-N 1 1 488.636 3.877 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)CC3)C2)cc1 ZINC001164940193 721929894 /nfs/dbraw/zinc/92/98/94/721929894.db2.gz RLNAOXRKLAANML-UHFFFAOYSA-N 1 1 464.944 3.559 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 ZINC001165050524 721981350 /nfs/dbraw/zinc/98/13/50/721981350.db2.gz ULMYTZGGZCXJNT-OAQYLSRUSA-N 1 1 495.649 3.639 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164950867 722001323 /nfs/dbraw/zinc/00/13/23/722001323.db2.gz KXDAAPHOJVTICD-YRISNDGFSA-N 1 1 498.678 3.527 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164950865 722001381 /nfs/dbraw/zinc/00/13/81/722001381.db2.gz KXDAAPHOJVTICD-DJPFJPOOSA-N 1 1 498.678 3.527 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953741 722017879 /nfs/dbraw/zinc/01/78/79/722017879.db2.gz XVLJJJYZUIBKAU-UHFFFAOYSA-N 1 1 462.019 3.916 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CC[C@@H](C)C6)C[C@H]3O2)n1 ZINC001164965368 722041974 /nfs/dbraw/zinc/04/19/74/722041974.db2.gz XKHYRXBMRUOHSZ-PHXBYCTMSA-N 1 1 494.665 3.940 20 0 JHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963765 722062527 /nfs/dbraw/zinc/06/25/27/722062527.db2.gz CYVCSCYRLYGMHC-UHFFFAOYSA-N 1 1 495.958 3.886 20 0 JHADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967497 722073690 /nfs/dbraw/zinc/07/36/90/722073690.db2.gz RZMPQUJFYMAPKK-HDICACEKSA-N 1 1 464.086 3.696 20 0 JHADMO O=C1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969118 722082075 /nfs/dbraw/zinc/08/20/75/722082075.db2.gz IBJZAVWRWQLOLE-FGZHOGPDSA-N 1 1 472.992 3.724 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975691 722111038 /nfs/dbraw/zinc/11/10/38/722111038.db2.gz KJMSKGGSXSLBIE-FPOVZHCZSA-N 1 1 479.606 3.504 20 0 JHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979849 722124440 /nfs/dbraw/zinc/12/44/40/722124440.db2.gz QMEACMGEJUHGJZ-RDGATRHJSA-N 1 1 472.568 3.741 20 0 JHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982306 722130001 /nfs/dbraw/zinc/13/00/01/722130001.db2.gz RPINIGIGNGJZOT-FXAWDEMLSA-N 1 1 470.936 3.579 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978889 722138246 /nfs/dbraw/zinc/13/82/46/722138246.db2.gz KJRYGQZOSDDLKV-WOJBJXKFSA-N 1 1 486.954 3.859 20 0 JHADMO c1ccc(-c2nsc3c2ncnc3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164982809 722143424 /nfs/dbraw/zinc/14/34/24/722143424.db2.gz SSBQIAXLVFLTFF-RTWAWAEBSA-N 1 1 458.591 3.876 20 0 JHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164982696 722151615 /nfs/dbraw/zinc/15/16/15/722151615.db2.gz SEFAHLBGWCYMLE-IFMALSPDSA-N 1 1 458.591 3.876 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976241 722154014 /nfs/dbraw/zinc/15/40/14/722154014.db2.gz VSWYMMQFGGYQMI-FYYLOGMGSA-N 1 1 465.985 3.831 20 0 JHADMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164988705 722187135 /nfs/dbraw/zinc/18/71/35/722187135.db2.gz FKBJTYAJNWDNLG-XUZZJYLKSA-N 1 1 475.058 3.513 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@H]43)c2c1C ZINC001164994623 722215833 /nfs/dbraw/zinc/21/58/33/722215833.db2.gz BWZGYHDCBAJUDH-VAMGGRTRSA-N 1 1 471.671 3.802 20 0 JHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001467 722239783 /nfs/dbraw/zinc/23/97/83/722239783.db2.gz FYILKTYSBHUOQO-UHFFFAOYSA-N 1 1 480.016 3.632 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165004424 722270379 /nfs/dbraw/zinc/27/03/79/722270379.db2.gz ASUIBJNNBAZEPK-BVAGGSTKSA-N 1 1 451.590 3.695 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165004441 722270481 /nfs/dbraw/zinc/27/04/81/722270481.db2.gz ASUIBJNNBAZEPK-ZEQKJWHPSA-N 1 1 451.590 3.695 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CC[N@H+]1CCOC ZINC001306621644 1069310807 /nfs/dbraw/zinc/31/08/07/1069310807.db2.gz DDBYXCHBMTXJBG-SJLPKXTDSA-N 1 1 498.441 3.819 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001306623194 1069314146 /nfs/dbraw/zinc/31/41/46/1069314146.db2.gz HMLMNDKNGZSNSZ-NRFANRHFSA-N 1 1 452.578 3.773 20 0 JHADMO Cn1cc(Br)c(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1=O ZINC001311284833 1069316031 /nfs/dbraw/zinc/31/60/31/1069316031.db2.gz YNTBDXDTPNCIOS-KRWDZBQOSA-N 1 1 459.388 3.572 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306634865 1069340971 /nfs/dbraw/zinc/34/09/71/1069340971.db2.gz PELRRRAYDRVBNL-OAQYLSRUSA-N 1 1 467.662 3.737 20 0 JHADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)C1 ZINC001311357731 1069341234 /nfs/dbraw/zinc/34/12/34/1069341234.db2.gz HHZNBBRIOZWRGA-YDIMBITNSA-N 1 1 452.574 3.686 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357873 1069341281 /nfs/dbraw/zinc/34/12/81/1069341281.db2.gz NRBCLMCSVAVIEX-ATIYNZHBSA-N 1 1 450.627 3.791 20 0 JHADMO 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O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1ccc(OC(F)F)cc1 ZINC001311604639 1069459255 /nfs/dbraw/zinc/45/92/55/1069459255.db2.gz MBHBGMXPXHDCMM-UHFFFAOYSA-N 1 1 452.933 3.953 20 0 JHADMO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722729 1069461689 /nfs/dbraw/zinc/46/16/89/1069461689.db2.gz NDPSLMZCGVFSSS-WXFUMESZSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722729 1069461696 /nfs/dbraw/zinc/46/16/96/1069461696.db2.gz NDPSLMZCGVFSSS-WXFUMESZSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC001306723348 1069463427 /nfs/dbraw/zinc/46/34/27/1069463427.db2.gz RTGFWLFWHNMNFW-NHCUHLMSSA-N 1 1 472.682 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724520 1069465327 /nfs/dbraw/zinc/46/53/27/1069465327.db2.gz YHPUHAXXHUQVBG-XZOQPEGZSA-N 1 1 452.647 3.801 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001306724753 1069465868 /nfs/dbraw/zinc/46/58/68/1069465868.db2.gz ZQRALRJGIAAWQV-LJQANCHMSA-N 1 1 475.037 3.540 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722743 1069461823 /nfs/dbraw/zinc/46/18/23/1069461823.db2.gz KRMGGKWKNKHZAX-RTWAWAEBSA-N 1 1 476.666 3.540 20 0 JHADMO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001311616193 1069468229 /nfs/dbraw/zinc/46/82/29/1069468229.db2.gz FVDXGEKMUJGOEX-MRXNPFEDSA-N 1 1 452.546 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306726415 1069469536 /nfs/dbraw/zinc/46/95/36/1069469536.db2.gz LVTUPEGPEVQEJQ-JOCHJYFZSA-N 1 1 487.718 3.641 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCc1cc(Cl)ccc1Br ZINC001311624745 1069474325 /nfs/dbraw/zinc/47/43/25/1069474325.db2.gz IZLWUJGGPLVGED-UHFFFAOYSA-N 1 1 452.780 3.934 20 0 JHADMO CCCN(C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001311630852 1069478794 /nfs/dbraw/zinc/47/87/94/1069478794.db2.gz UUMAGQYCDMQFEK-SDHSZQHLSA-N 1 1 456.675 3.820 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cn1 ZINC001311631859 1069479424 /nfs/dbraw/zinc/47/94/24/1069479424.db2.gz NSYYTLDABSWUDV-UHFFFAOYSA-N 1 1 450.543 3.600 20 0 JHADMO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638362 1069483841 /nfs/dbraw/zinc/48/38/41/1069483841.db2.gz YIALLRDLQQUVJI-FIXSFTCYSA-N 1 1 456.656 3.812 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001311651890 1069489236 /nfs/dbraw/zinc/48/92/36/1069489236.db2.gz BCZYBVKGNBLDJI-KRWDZBQOSA-N 1 1 453.852 3.781 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC001306732413 1069489720 /nfs/dbraw/zinc/48/97/20/1069489720.db2.gz OZUGDVYAUQHQLQ-PCCBWWKXSA-N 1 1 455.651 3.772 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001306733383 1069492677 /nfs/dbraw/zinc/49/26/77/1069492677.db2.gz WEOZDFCUKRONBK-GBXCKJPGSA-N 1 1 452.647 3.556 20 0 JHADMO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1c1ccc(F)cc1 ZINC001311664898 1069494050 /nfs/dbraw/zinc/49/40/50/1069494050.db2.gz NLBXPBJHWQGJJB-GOTSBHOMSA-N 1 1 450.514 3.593 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306734750 1069497514 /nfs/dbraw/zinc/49/75/14/1069497514.db2.gz PVQXPEUSJDDULS-HBMCJLEFSA-N 1 1 455.651 3.669 20 0 JHADMO 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 1069497996 /nfs/dbraw/zinc/49/79/96/1069497996.db2.gz HSTNILUSYFXHEQ-BBWFWOEESA-N 1 1 455.430 3.827 20 0 JHADMO 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 1069503189 /nfs/dbraw/zinc/50/31/89/1069503189.db2.gz DRYJGCBMRHUEPY-JZZBYWGLSA-N 1 1 462.610 3.948 20 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CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748754 1069539270 /nfs/dbraw/zinc/53/92/70/1069539270.db2.gz LYCJGBFBGMTINJ-MOPGFXCFSA-N 1 1 457.619 3.576 20 0 JHADMO C[C@H](CNC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001311788958 1069545804 /nfs/dbraw/zinc/54/58/04/1069545804.db2.gz PUOKNWBTMFXBDH-HXUWFJFHSA-N 1 1 454.590 3.599 20 0 JHADMO C[C@H](CNC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC001311796266 1069549677 /nfs/dbraw/zinc/54/96/77/1069549677.db2.gz ULFYWGBBLLLPCO-LJQANCHMSA-N 1 1 456.631 3.912 20 0 JHADMO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001311798156 1069550660 /nfs/dbraw/zinc/55/06/60/1069550660.db2.gz YYDLMUWWSFITGY-UHFFFAOYSA-N 1 1 451.409 3.746 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1OC ZINC001306755949 1069552868 /nfs/dbraw/zinc/55/28/68/1069552868.db2.gz QTFSMEQNDQNJAI-SJBKTWHCSA-N 1 1 471.646 3.824 20 0 JHADMO CCCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001306757265 1069555677 /nfs/dbraw/zinc/55/56/77/1069555677.db2.gz WUWSFAQBTRNMOP-BXXSPATCSA-N 1 1 477.694 3.560 20 0 JHADMO CCCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306764075 1069565478 /nfs/dbraw/zinc/56/54/78/1069565478.db2.gz UGBJPGFJQLYDBX-RTWAWAEBSA-N 1 1 476.666 3.841 20 0 JHADMO C[C@@H]1[C@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001311829776 1069567539 /nfs/dbraw/zinc/56/75/39/1069567539.db2.gz NLVYCOCKQWLYGL-FOVJLYNBSA-N 1 1 457.018 3.676 20 0 JHADMO COC(=O)N1CCC[C@@H](NC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001311832734 1069569802 /nfs/dbraw/zinc/56/98/02/1069569802.db2.gz QSEWQLBLJUENIV-MVERNJQCSA-N 1 1 450.583 3.575 20 0 JHADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001306777907 1069573907 /nfs/dbraw/zinc/57/39/07/1069573907.db2.gz ASHJWLVUINEYTM-GOSISDBHSA-N 1 1 461.680 3.513 20 0 JHADMO CCCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306777520 1069573290 /nfs/dbraw/zinc/57/32/90/1069573290.db2.gz NPVFEEUFIAYJFX-FQEVSTJZSA-N 1 1 480.451 3.823 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)C1 ZINC001306781132 1069578673 /nfs/dbraw/zinc/57/86/73/1069578673.db2.gz RXZYRKDZVMEKHW-MRXNPFEDSA-N 1 1 476.423 3.559 20 0 JHADMO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001311846610 1069576840 /nfs/dbraw/zinc/57/68/40/1069576840.db2.gz NYPQNQQFHWQCMP-LFAGZIFBSA-N 1 1 463.626 3.649 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(F)(F)F)C1 ZINC001306780324 1069577391 /nfs/dbraw/zinc/57/73/91/1069577391.db2.gz AVBUCRCNBDNQEG-QGZVFWFLSA-N 1 1 491.562 3.966 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001306780878 1069578446 /nfs/dbraw/zinc/57/84/46/1069578446.db2.gz GBWWUHCBOHKGHV-NHCUHLMSSA-N 1 1 478.682 3.597 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)C1 ZINC001306781193 1069579025 /nfs/dbraw/zinc/57/90/25/1069579025.db2.gz HSDLPFVFOCXURU-QZNHQXDQSA-N 1 1 473.687 3.542 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001306782396 1069580393 /nfs/dbraw/zinc/58/03/93/1069580393.db2.gz DVJATXBDGYPJRP-KRWDZBQOSA-N 1 1 454.648 3.706 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001306782842 1069581684 /nfs/dbraw/zinc/58/16/84/1069581684.db2.gz GHCSBXJPFFOGHI-HXUWFJFHSA-N 1 1 479.595 3.783 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306784128 1069584058 /nfs/dbraw/zinc/58/40/58/1069584058.db2.gz PEDUUTNLGUQFCV-LJQANCHMSA-N 1 1 494.562 3.629 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)C1 ZINC001306784179 1069584254 /nfs/dbraw/zinc/58/42/54/1069584254.db2.gz QFYAQLSVVYJHPK-OAQYLSRUSA-N 1 1 452.647 3.625 20 0 JHADMO 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CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314348603 1070159182 /nfs/dbraw/zinc/15/91/82/1070159182.db2.gz CYCHCOPPNLEKLN-PXNSSMCTSA-N 1 1 493.052 3.874 20 0 JHADMO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC001312885019 1070167302 /nfs/dbraw/zinc/16/73/02/1070167302.db2.gz IMUZYKOOBCVCAE-IFMALSPDSA-N 1 1 470.580 3.582 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC001312885019 1070167308 /nfs/dbraw/zinc/16/73/08/1070167308.db2.gz IMUZYKOOBCVCAE-IFMALSPDSA-N 1 1 470.580 3.582 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314351293 1070171043 /nfs/dbraw/zinc/17/10/43/1070171043.db2.gz BNZIQKMFWIXHMY-LJQANCHMSA-N 1 1 492.068 3.674 20 0 JHADMO C[C@@H](OCCCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC001307754451 1070167640 /nfs/dbraw/zinc/16/76/40/1070167640.db2.gz WMYURWXRSBKAQF-AKFKNWHVSA-N 1 1 459.631 3.994 20 0 JHADMO C[C@@H](OCCCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC001307754451 1070167644 /nfs/dbraw/zinc/16/76/44/1070167644.db2.gz WMYURWXRSBKAQF-AKFKNWHVSA-N 1 1 459.631 3.994 20 0 JHADMO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001307752316 1070167687 /nfs/dbraw/zinc/16/76/87/1070167687.db2.gz GKMLOYSOXHFSPG-OFNKIYASSA-N 1 1 459.631 3.864 20 0 JHADMO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001307752316 1070167693 /nfs/dbraw/zinc/16/76/93/1070167693.db2.gz GKMLOYSOXHFSPG-OFNKIYASSA-N 1 1 459.631 3.864 20 0 JHADMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)C1 ZINC001307767661 1070175447 /nfs/dbraw/zinc/17/54/47/1070175447.db2.gz GGHDYAYVLWQJBS-RBUKOAKNSA-N 1 1 453.649 3.953 20 0 JHADMO O=C1O[C@@H](C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CN1C1CCCCC1 ZINC001307761947 1070172759 /nfs/dbraw/zinc/17/27/59/1070172759.db2.gz VLCISNGBPTYGGS-SFHVURJKSA-N 1 1 451.365 3.894 20 0 JHADMO O=C1O[C@@H](C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CN1C1CCCCC1 ZINC001307761947 1070172765 /nfs/dbraw/zinc/17/27/65/1070172765.db2.gz VLCISNGBPTYGGS-SFHVURJKSA-N 1 1 451.365 3.894 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](OCc3cccc(OC)c3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314353131 1070173176 /nfs/dbraw/zinc/17/31/76/1070173176.db2.gz VKDDIQDKFZQBGF-DHIUTWEWSA-N 1 1 471.646 3.739 20 0 JHADMO CCOC(=O)C1([S@@](C)=O)CCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307776813 1070179663 /nfs/dbraw/zinc/17/96/63/1070179663.db2.gz SOIZQERYKFOUMJ-GPNASLBKSA-N 1 1 456.652 3.678 20 0 JHADMO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358848 1070181323 /nfs/dbraw/zinc/18/13/23/1070181323.db2.gz OPZAGSJINCCHDJ-TZIWHRDSSA-N 1 1 476.666 3.525 20 0 JHADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932790 1070187115 /nfs/dbraw/zinc/18/71/15/1070187115.db2.gz MTYZCJUUFIYZRO-UXHICEINSA-N 1 1 455.521 3.681 20 0 JHADMO CCc1ccc([C@H](NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)c2cccs2)cc1 ZINC001307801193 1070188804 /nfs/dbraw/zinc/18/88/04/1070188804.db2.gz LZOWKXFWZVHQDE-ZEQRLZLVSA-N 1 1 452.624 3.743 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001314362865 1070188152 /nfs/dbraw/zinc/18/81/52/1070188152.db2.gz AHLXBHLYEAGSSN-HBMCJLEFSA-N 1 1 486.627 3.790 20 0 JHADMO CC[N@@H+](CCCNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1)C1CCCCC1 ZINC001312963609 1070202131 /nfs/dbraw/zinc/20/21/31/1070202131.db2.gz HSJICNHPBVERMH-LEWJYISDSA-N 1 1 451.558 3.908 20 0 JHADMO 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 1070204165 /nfs/dbraw/zinc/20/41/65/1070204165.db2.gz UXWSDYSLNMQQOO-BHIFYINESA-N 1 1 450.595 3.955 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC001307839752 1070207238 /nfs/dbraw/zinc/20/72/38/1070207238.db2.gz POPXURUFRVWQEN-JLJPHGGASA-N 1 1 475.811 3.783 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC001307839753 1070207372 /nfs/dbraw/zinc/20/73/72/1070207372.db2.gz POPXURUFRVWQEN-YSVLISHTSA-N 1 1 475.811 3.783 20 0 JHADMO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC001307841798 1070208937 /nfs/dbraw/zinc/20/89/37/1070208937.db2.gz FBNZWXVUODGKGK-LJQANCHMSA-N 1 1 451.633 3.565 20 0 JHADMO CCOCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001314375020 1070213666 /nfs/dbraw/zinc/21/36/66/1070213666.db2.gz RZCLVSOPMZESFL-GOTSBHOMSA-N 1 1 457.619 3.522 20 0 JHADMO CCOCc1nnc(N2CCC[C@H]2c2ccc(OCC)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314373044 1070210257 /nfs/dbraw/zinc/21/02/57/1070210257.db2.gz GBGVYTVDXVILFX-QFIPXVFZSA-N 1 1 457.619 3.666 20 0 JHADMO CCOCc1nnc(N2CCC[C@H]2c2ccc(OCC)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314373044 1070210267 /nfs/dbraw/zinc/21/02/67/1070210267.db2.gz GBGVYTVDXVILFX-QFIPXVFZSA-N 1 1 457.619 3.666 20 0 JHADMO 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 1070212748 /nfs/dbraw/zinc/21/27/48/1070212748.db2.gz YTKWAWWEYNNEPQ-VLCRHTCISA-N 1 1 462.610 3.950 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001314377180 1070218211 /nfs/dbraw/zinc/21/82/11/1070218211.db2.gz BPXDECXRBSQPFO-QHCPKHFHSA-N 1 1 458.626 3.711 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001314377180 1070218219 /nfs/dbraw/zinc/21/82/19/1070218219.db2.gz BPXDECXRBSQPFO-QHCPKHFHSA-N 1 1 458.626 3.711 20 0 JHADMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001307865140 1070216656 /nfs/dbraw/zinc/21/66/56/1070216656.db2.gz HEUMSWBOCROBAC-UHFFFAOYSA-N 1 1 453.974 3.534 20 0 JHADMO CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307870322 1070217815 /nfs/dbraw/zinc/21/78/15/1070217815.db2.gz MPFWPEOUUSPANG-IBGZPJMESA-N 1 1 454.640 3.649 20 0 JHADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001307876523 1070219681 /nfs/dbraw/zinc/21/96/81/1070219681.db2.gz AEQHZJABWDDQGK-XZOQPEGZSA-N 1 1 477.605 3.965 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(O)CCCCCC1 ZINC001314377599 1070219862 /nfs/dbraw/zinc/21/98/62/1070219862.db2.gz FRKKSUJNKSARDL-UHFFFAOYSA-N 1 1 459.610 3.751 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C[C@H]1c1ccc(O)cc1 ZINC001307883214 1070223262 /nfs/dbraw/zinc/22/32/62/1070223262.db2.gz CJUBGRUMMVOOKQ-TYCQWZJGSA-N 1 1 457.596 3.792 20 0 JHADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C[C@H]1c1ccc(O)cc1 ZINC001307883214 1070223272 /nfs/dbraw/zinc/22/32/72/1070223272.db2.gz CJUBGRUMMVOOKQ-TYCQWZJGSA-N 1 1 457.596 3.792 20 0 JHADMO 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 1070222250 /nfs/dbraw/zinc/22/22/50/1070222250.db2.gz FFVNPKQKEWLRKF-HULNYRCFSA-N 1 1 479.017 3.945 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC001313038465 1070230323 /nfs/dbraw/zinc/23/03/23/1070230323.db2.gz AZLQCJPYYSXFAZ-RXVVDRJESA-N 1 1 458.553 3.636 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC001313038465 1070230333 /nfs/dbraw/zinc/23/03/33/1070230333.db2.gz AZLQCJPYYSXFAZ-RXVVDRJESA-N 1 1 458.553 3.636 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001314386144 1070232456 /nfs/dbraw/zinc/23/24/56/1070232456.db2.gz ATXWHPUBAINSJY-NHCUHLMSSA-N 1 1 478.682 3.772 20 0 JHADMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(C3CCC3)CC2)cc1 ZINC001307915877 1070238636 /nfs/dbraw/zinc/23/86/36/1070238636.db2.gz YYZKLOJVABCUSG-UHFFFAOYSA-N 1 1 455.624 3.958 20 0 JHADMO CCOCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001314388780 1070240152 /nfs/dbraw/zinc/24/01/52/1070240152.db2.gz LPFUESYFICVSAA-RTBURBONSA-N 1 1 460.589 3.542 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[C@@H]1OC ZINC001314388817 1070240300 /nfs/dbraw/zinc/24/03/00/1070240300.db2.gz MUKLDQLGRHAHDF-LSWJPFSZSA-N 1 1 457.619 3.522 20 0 JHADMO O=C(N1CCN(CCSc2cccc(Cl)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001307931130 1070247652 /nfs/dbraw/zinc/24/76/52/1070247652.db2.gz WPELIVUTEIUVFL-UHFFFAOYSA-N 1 1 459.059 3.988 20 0 JHADMO CCOCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314390480 1070243888 /nfs/dbraw/zinc/24/38/88/1070243888.db2.gz SWRHFAZIQCRFKD-LJQANCHMSA-N 1 1 476.616 3.850 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](CC)Oc1ccccc1F ZINC001314394019 1070251519 /nfs/dbraw/zinc/25/15/19/1070251519.db2.gz LPJQVLCBNFLWOB-TZIWHRDSSA-N 1 1 475.609 3.501 20 0 JHADMO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001313118113 1070256455 /nfs/dbraw/zinc/25/64/55/1070256455.db2.gz DFDHANNXLBUVMS-HXUWFJFHSA-N 1 1 455.018 3.838 20 0 JHADMO 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CC[N@@H+](CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOC)CC1)C(C)C ZINC001313806676 1071225150 /nfs/dbraw/zinc/22/51/50/1071225150.db2.gz XEVUGLSUVXRVPT-UHFFFAOYSA-N 1 1 493.494 3.515 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC001313806801 1071225931 /nfs/dbraw/zinc/22/59/31/1071225931.db2.gz YWNSVNOGJLEICG-CQSZACIVSA-N 1 1 495.853 3.547 20 0 JHADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001314852439 1071226804 /nfs/dbraw/zinc/22/68/04/1071226804.db2.gz AFEFMPOUKZIDDV-HXUWFJFHSA-N 1 1 484.670 3.888 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)C(C)C ZINC001313807189 1071227136 /nfs/dbraw/zinc/22/71/36/1071227136.db2.gz GKQZCKFZJDUOSG-JOCHJYFZSA-N 1 1 454.663 3.972 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCN(c2cccnn2)CC1)CCC(F)(F)F ZINC001313807275 1071227825 /nfs/dbraw/zinc/22/78/25/1071227825.db2.gz IVFRNTUFVCHMSM-UHFFFAOYSA-N 1 1 488.562 3.644 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C ZINC001313808194 1071231702 /nfs/dbraw/zinc/23/17/02/1071231702.db2.gz CVFVQMNITPFMOY-HNNXBMFYSA-N 1 1 453.418 3.649 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)C1)C1CC1 ZINC001313808150 1071231940 /nfs/dbraw/zinc/23/19/40/1071231940.db2.gz BUJZYRHHXQHHCV-UHFFFAOYSA-N 1 1 463.001 3.527 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1)CCC(F)(F)F ZINC001313808604 1071233736 /nfs/dbraw/zinc/23/37/36/1071233736.db2.gz CBZVWMSRTOQECK-LJQANCHMSA-N 1 1 464.492 3.785 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2OC)CC1)CCC(F)(F)F ZINC001313809979 1071239481 /nfs/dbraw/zinc/23/94/81/1071239481.db2.gz GKLOOOXJPNNJIS-UHFFFAOYSA-N 1 1 491.562 3.883 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)C(C)C ZINC001313810126 1071239583 /nfs/dbraw/zinc/23/95/83/1071239583.db2.gz KREXQDNWGLEHLB-UHFFFAOYSA-N 1 1 467.662 3.736 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893642 1071490767 /nfs/dbraw/zinc/49/07/67/1071490767.db2.gz PGWMMBQNYQBZFF-KPLVRAHFSA-N 1 1 496.027 3.857 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001314984879 1071491234 /nfs/dbraw/zinc/49/12/34/1071491234.db2.gz INQGJLIAPUQQCQ-VQTJNVASSA-N 1 1 486.636 3.784 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314986913 1071497417 /nfs/dbraw/zinc/49/74/17/1071497417.db2.gz DNNUKCIFNNSBJA-ICSRJNTNSA-N 1 1 474.053 3.611 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2SC)C1 ZINC001313894883 1071494983 /nfs/dbraw/zinc/49/49/83/1071494983.db2.gz JOPCNFIKTAAFGN-FQEVSTJZSA-N 1 1 453.660 3.840 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSCC1 ZINC001313895181 1071495676 /nfs/dbraw/zinc/49/56/76/1071495676.db2.gz GLLPWGIMPFCUDW-HNNXBMFYSA-N 1 1 454.413 3.884 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313895334 1071496475 /nfs/dbraw/zinc/49/64/75/1071496475.db2.gz GTZDCSRAQMLBOI-XMMPIXPASA-N 1 1 482.673 3.913 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCCOC)C1 ZINC001313896388 1071499492 /nfs/dbraw/zinc/49/94/92/1071499492.db2.gz ONQUIOPRHQAERO-WOJBJXKFSA-N 1 1 492.462 3.742 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001314989092 1071502611 /nfs/dbraw/zinc/50/26/11/1071502611.db2.gz NEHHGDGHYDYYPD-LJQANCHMSA-N 1 1 459.038 3.825 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001313897641 1071503442 /nfs/dbraw/zinc/50/34/42/1071503442.db2.gz ZZDPHBCNFDNVEU-GOSISDBHSA-N 1 1 467.445 3.505 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313898042 1071504029 /nfs/dbraw/zinc/50/40/29/1071504029.db2.gz NBOIQDTVIOEHDN-YADHBBJMSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313898039 1071504143 /nfs/dbraw/zinc/50/41/43/1071504143.db2.gz NBOIQDTVIOEHDN-FCHUYYIVSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313900187 1071508592 /nfs/dbraw/zinc/50/85/92/1071508592.db2.gz MICKSFVSXXQYIM-FYYLOGMGSA-N 1 1 496.700 3.741 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001313899672 1071508735 /nfs/dbraw/zinc/50/87/35/1071508735.db2.gz XCQRAHIGYDKDIN-ZJOUEHCJSA-N 1 1 492.462 3.743 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898782 1071505969 /nfs/dbraw/zinc/50/59/69/1071505969.db2.gz DUDAJBJAPPEKSV-HLAWJBBLSA-N 1 1 460.667 3.845 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313898938 1071506694 /nfs/dbraw/zinc/50/66/94/1071506694.db2.gz DQOPLVZZVGIGGR-SFTDATJTSA-N 1 1 490.693 3.738 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313899026 1071507178 /nfs/dbraw/zinc/50/71/78/1071507178.db2.gz UDTZTXQOOPQOMD-OAHLLOKOSA-N 1 1 456.454 3.709 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899103 1071507191 /nfs/dbraw/zinc/50/71/91/1071507191.db2.gz GIYSYSZNOXIPNI-RBUKOAKNSA-N 1 1 479.572 3.903 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313901484 1071511663 /nfs/dbraw/zinc/51/16/63/1071511663.db2.gz RIKDIDUSTHAFBB-KFKAGJAMSA-N 1 1 455.500 3.648 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313901572 1071511777 /nfs/dbraw/zinc/51/17/77/1071511777.db2.gz AXOWJHVOTJRFRY-JOCHJYFZSA-N 1 1 465.646 3.945 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901606 1071511953 /nfs/dbraw/zinc/51/19/53/1071511953.db2.gz YJZPXZRAFVWIAE-ZWKOTPCHSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313901834 1071512463 /nfs/dbraw/zinc/51/24/63/1071512463.db2.gz HXJKMHMWQNPTKK-HXUWFJFHSA-N 1 1 469.634 3.626 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513257 /nfs/dbraw/zinc/51/32/57/1071513257.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902164 1071513435 /nfs/dbraw/zinc/51/34/35/1071513435.db2.gz KFSLKZUBXNMVFQ-UYAOXDASSA-N 1 1 471.650 3.887 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313903139 1071515076 /nfs/dbraw/zinc/51/50/76/1071515076.db2.gz MGKSWCXCPCEPMI-YKSBVNFPSA-N 1 1 495.590 3.914 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001313903341 1071515114 /nfs/dbraw/zinc/51/51/14/1071515114.db2.gz APOQWSKRDLMMEC-AZUAARDMSA-N 1 1 457.619 3.840 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313904203 1071517451 /nfs/dbraw/zinc/51/74/51/1071517451.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 1 1 484.689 3.505 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br ZINC001313904454 1071518496 /nfs/dbraw/zinc/51/84/96/1071518496.db2.gz HZLPTDZOANPMGE-CQSZACIVSA-N 1 1 460.380 3.678 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001313904646 1071519066 /nfs/dbraw/zinc/51/90/66/1071519066.db2.gz RNQAYHKDTIBYPX-AZUAARDMSA-N 1 1 478.435 3.719 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313904628 1071519201 /nfs/dbraw/zinc/51/92/01/1071519201.db2.gz RLYWSAQFPOTSKA-FPOVZHCZSA-N 1 1 490.048 3.735 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904830 1071519886 /nfs/dbraw/zinc/51/98/86/1071519886.db2.gz UZKDZUWRUAAWRW-XUVXKRRUSA-N 1 1 469.634 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313905290 1071521393 /nfs/dbraw/zinc/52/13/93/1071521393.db2.gz PEZYMUOEITXVFA-LJQANCHMSA-N 1 1 481.613 3.705 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313907584 1071528202 /nfs/dbraw/zinc/52/82/02/1071528202.db2.gz IJYPXCHMNSUCIE-FUHWJXTLSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313908323 1071529274 /nfs/dbraw/zinc/52/92/74/1071529274.db2.gz ILZUXCCBYUXRSA-JOCHJYFZSA-N 1 1 481.670 3.504 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1OC ZINC001313909301 1071532624 /nfs/dbraw/zinc/53/26/24/1071532624.db2.gz RLAITNRXPULQDF-NRFANRHFSA-N 1 1 485.032 3.875 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313910429 1071535107 /nfs/dbraw/zinc/53/51/07/1071535107.db2.gz KCYBFUJNLYCEMP-JOCHJYFZSA-N 1 1 451.619 3.977 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313911929 1071538905 /nfs/dbraw/zinc/53/89/05/1071538905.db2.gz FNHCPGYAHHUMCJ-QUCCMNQESA-N 1 1 467.536 3.807 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912186 1071539395 /nfs/dbraw/zinc/53/93/95/1071539395.db2.gz UZQABECCFZJJSZ-GHTZIAJQSA-N 1 1 474.675 3.655 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912176 1071539643 /nfs/dbraw/zinc/53/96/43/1071539643.db2.gz MUIRNYBLPMQMCE-HBMCJLEFSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313912395 1071539976 /nfs/dbraw/zinc/53/99/76/1071539976.db2.gz IOQVAGVAUQGFTL-NYMACZPPSA-N 1 1 477.694 3.835 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313912678 1071540564 /nfs/dbraw/zinc/54/05/64/1071540564.db2.gz WJTWIFMWPYQEKE-OAQYLSRUSA-N 1 1 461.614 3.906 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001313912870 1071541190 /nfs/dbraw/zinc/54/11/90/1071541190.db2.gz OIDJWMBKYUHAEL-IFMALSPDSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911046 1071536985 /nfs/dbraw/zinc/53/69/85/1071536985.db2.gz YTQHBBWDGNWDCJ-SFHVURJKSA-N 1 1 477.053 3.832 20 0 JHADMO 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 1071544845 /nfs/dbraw/zinc/54/48/45/1071544845.db2.gz LSLWLIMLEIWQMA-MHTWAQMVSA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313914074 1071546141 /nfs/dbraw/zinc/54/61/41/1071546141.db2.gz QOKBIJYIIBTJPO-DNQXCXABSA-N 1 1 455.647 3.682 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313914448 1071547370 /nfs/dbraw/zinc/54/73/70/1071547370.db2.gz NFKOCSNZYJEFQA-CJFMBICVSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313914450 1071547502 /nfs/dbraw/zinc/54/75/02/1071547502.db2.gz NFKOCSNZYJEFQA-NBGIEHNGSA-N 1 1 457.619 3.745 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001315021742 1071542960 /nfs/dbraw/zinc/54/29/60/1071542960.db2.gz XNXVEXJKRMXFNS-NRFANRHFSA-N 1 1 482.673 3.961 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313913436 1071543475 /nfs/dbraw/zinc/54/34/75/1071543475.db2.gz PKLGOWVXJUOXSA-XVAXZDLZSA-N 1 1 488.627 3.905 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913502 1071543745 /nfs/dbraw/zinc/54/37/45/1071543745.db2.gz PRMMRKURZNWRJO-NHCUHLMSSA-N 1 1 478.682 3.740 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313920548 1071559572 /nfs/dbraw/zinc/55/95/72/1071559572.db2.gz KPIAOGOCKLMBKY-MRXNPFEDSA-N 1 1 483.405 3.579 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CC=CCC1 ZINC001315031883 1071562165 /nfs/dbraw/zinc/56/21/65/1071562165.db2.gz BHBQVPJFMUFVIX-LJQANCHMSA-N 1 1 475.037 3.523 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313922625 1071564955 /nfs/dbraw/zinc/56/49/55/1071564955.db2.gz XGXONQOEFBDBEF-OAQYLSRUSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313922630 1071565074 /nfs/dbraw/zinc/56/50/74/1071565074.db2.gz VPTMCASNUXDZPN-BGYRXZFFSA-N 1 1 472.703 3.746 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001315035031 1071568010 /nfs/dbraw/zinc/56/80/10/1071568010.db2.gz RETACJLCESQPPD-HXUWFJFHSA-N 1 1 477.053 3.593 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313923884 1071568961 /nfs/dbraw/zinc/56/89/61/1071568961.db2.gz ACCDKUHUNRFMDP-VXKWHMMOSA-N 1 1 484.689 3.861 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3CCC(C)(F)F)CC2)CC1 ZINC001313924093 1071569672 /nfs/dbraw/zinc/56/96/72/1071569672.db2.gz YOHNQPMHALGGRS-UHFFFAOYSA-N 1 1 474.600 3.761 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313925034 1071572200 /nfs/dbraw/zinc/57/22/00/1071572200.db2.gz LIWVEHDABAKMHH-NFBKMPQASA-N 1 1 472.703 3.702 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313924828 1071572250 /nfs/dbraw/zinc/57/22/50/1071572250.db2.gz JLZTWHSPQOPTPZ-FQEVSTJZSA-N 1 1 470.662 3.615 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCSC)CC1 ZINC001313926287 1071576402 /nfs/dbraw/zinc/57/64/02/1071576402.db2.gz WSCVTIICZHEKCE-KRWDZBQOSA-N 1 1 469.074 3.953 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313927416 1071579923 /nfs/dbraw/zinc/57/99/23/1071579923.db2.gz KRBARURYQVKBJD-KAOXLYBCSA-N 1 1 460.711 3.849 20 0 JHADMO CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928384 1071583828 /nfs/dbraw/zinc/58/38/28/1071583828.db2.gz BNTSAHQPHIWFRM-VWNXMTODSA-N 1 1 498.716 3.801 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001313929665 1071587403 /nfs/dbraw/zinc/58/74/03/1071587403.db2.gz ICSKWNJYXFVVLI-XFAGBWLFSA-N 1 1 457.550 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@@H]1C ZINC001313929789 1071587586 /nfs/dbraw/zinc/58/75/86/1071587586.db2.gz JNZVFVDLWMGEIO-PZJWPPBQSA-N 1 1 468.646 3.624 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001313930362 1071589336 /nfs/dbraw/zinc/58/93/36/1071589336.db2.gz LZABFIKSFXXSPM-RTBURBONSA-N 1 1 472.609 3.537 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@H]1C ZINC001313930394 1071589671 /nfs/dbraw/zinc/58/96/71/1071589671.db2.gz MFLKLTAJUYYSJY-RTBURBONSA-N 1 1 458.010 3.889 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313930893 1071590217 /nfs/dbraw/zinc/59/02/17/1071590217.db2.gz DCTMCYVSAYWESO-MBSDFSHPSA-N 1 1 481.563 3.916 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001315081961 1071590690 /nfs/dbraw/zinc/59/06/90/1071590690.db2.gz PIGXFHJDWONTMR-IFMALSPDSA-N 1 1 464.614 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@@H]1C ZINC001313932015 1071594367 /nfs/dbraw/zinc/59/43/67/1071594367.db2.gz GWSZPWWCDCZLTI-CPJSRVTESA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC2CCOCC2)C[C@@H]1C ZINC001313933254 1071598062 /nfs/dbraw/zinc/59/80/62/1071598062.db2.gz ZNHHUSORQBHFJF-IBGZPJMESA-N 1 1 489.064 3.599 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313933053 1071597313 /nfs/dbraw/zinc/59/73/13/1071597313.db2.gz ZCKWVDDNGGBVOW-GMAHTHKFSA-N 1 1 484.689 3.676 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@@H]2CCOC2)C[C@H]1C ZINC001313934906 1071603502 /nfs/dbraw/zinc/60/35/02/1071603502.db2.gz DCNSXEYYTHBFEZ-IAGOWNOFSA-N 1 1 478.435 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCOc2ncccc2F)C[C@H]1C ZINC001313934353 1071602423 /nfs/dbraw/zinc/60/24/23/1071602423.db2.gz UIMFNPPPHJCSNZ-CQSZACIVSA-N 1 1 495.422 3.913 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)COC)C[C@@H]1C ZINC001313934733 1071603054 /nfs/dbraw/zinc/60/30/54/1071603054.db2.gz VGNYRYOVGHXTQP-AWEZNQCLSA-N 1 1 456.454 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)COC)C[C@@H]1C ZINC001313935409 1071605423 /nfs/dbraw/zinc/60/54/23/1071605423.db2.gz ZDVBOIQCOWKLHJ-CVEARBPZSA-N 1 1 466.424 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nccs2)C[C@@H]1C ZINC001313935237 1071605507 /nfs/dbraw/zinc/60/55/07/1071605507.db2.gz GHZZLEWINFYJCU-AWEZNQCLSA-N 1 1 477.432 3.751 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)no2)C[C@@H]1C ZINC001313935519 1071605868 /nfs/dbraw/zinc/60/58/68/1071605868.db2.gz XPFXUZDSPCYFSX-AWEZNQCLSA-N 1 1 463.355 3.722 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607370 /nfs/dbraw/zinc/60/73/70/1071607370.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607373 /nfs/dbraw/zinc/60/73/73/1071607373.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615457 /nfs/dbraw/zinc/61/54/57/1071615457.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615460 /nfs/dbraw/zinc/61/54/60/1071615460.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001313938100 1071611566 /nfs/dbraw/zinc/61/15/66/1071611566.db2.gz HUQRUVKKQVZHQR-KRWDZBQOSA-N 1 1 472.540 3.723 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313938714 1071612051 /nfs/dbraw/zinc/61/20/51/1071612051.db2.gz WYLYMDXULZCITE-CABCVRRESA-N 1 1 454.438 3.575 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313939280 1071612695 /nfs/dbraw/zinc/61/26/95/1071612695.db2.gz ABUYUAUIGCVYHQ-KRWDZBQOSA-N 1 1 455.525 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313940799 1071615651 /nfs/dbraw/zinc/61/56/51/1071615651.db2.gz YTHAZCAPXVYLLI-SFHVURJKSA-N 1 1 471.005 3.597 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313939467 1071613328 /nfs/dbraw/zinc/61/33/28/1071613328.db2.gz BCVFTAOHRQVIRG-MRXNPFEDSA-N 1 1 462.436 3.775 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313940575 1071615687 /nfs/dbraw/zinc/61/56/87/1071615687.db2.gz OAQRBDSMGVXNIJ-HXUWFJFHSA-N 1 1 459.708 3.820 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001313940012 1071614105 /nfs/dbraw/zinc/61/41/05/1071614105.db2.gz JQAWUGFAJZFDKG-CJFMBICVSA-N 1 1 492.064 3.587 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001313942773 1071621458 /nfs/dbraw/zinc/62/14/58/1071621458.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 1 1 498.716 3.532 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001313942773 1071621461 /nfs/dbraw/zinc/62/14/61/1071621461.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 1 1 498.716 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001313941432 1071617582 /nfs/dbraw/zinc/61/75/82/1071617582.db2.gz CXOKBCWUTNMKJW-JOCHJYFZSA-N 1 1 498.716 3.796 20 0 JHADMO 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 1071620204 /nfs/dbraw/zinc/62/02/04/1071620204.db2.gz INXYKFCMTOJDEG-YTQUADARSA-N 1 1 474.675 3.997 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313945772 1071627449 /nfs/dbraw/zinc/62/74/49/1071627449.db2.gz KSKLOPUNCBMFJE-QGZVFWFLSA-N 1 1 471.005 3.513 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@@H]1C ZINC001313943302 1071622599 /nfs/dbraw/zinc/62/25/99/1071622599.db2.gz RICXDBXSCLIEMM-IBGZPJMESA-N 1 1 470.643 3.656 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313946192 1071628006 /nfs/dbraw/zinc/62/80/06/1071628006.db2.gz PJMZUOCRAZDCPR-GOSISDBHSA-N 1 1 474.625 3.842 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313946868 1071630594 /nfs/dbraw/zinc/63/05/94/1071630594.db2.gz DLRQTOXTGBHYIP-FQEVSTJZSA-N 1 1 481.645 3.605 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313947101 1071631232 /nfs/dbraw/zinc/63/12/32/1071631232.db2.gz VTYJORMJJNJOJH-MRXNPFEDSA-N 1 1 473.394 3.744 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001313947506 1071632254 /nfs/dbraw/zinc/63/22/54/1071632254.db2.gz HVMSQDXDZXONNM-UFYCRDLUSA-N 1 1 459.660 3.925 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947854 1071632886 /nfs/dbraw/zinc/63/28/86/1071632886.db2.gz AALHSQLQNIVVLS-QFIPXVFZSA-N 1 1 467.706 3.619 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)CC1 ZINC001313949526 1071636467 /nfs/dbraw/zinc/63/64/67/1071636467.db2.gz JNMHGZCXPDQHQO-GOSISDBHSA-N 1 1 495.499 3.734 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCCc2cccc(C)n2)C[C@H]1C ZINC001313950057 1071637519 /nfs/dbraw/zinc/63/75/19/1071637519.db2.gz SRTMJJZREKKKSW-HXUWFJFHSA-N 1 1 452.578 3.863 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950428 1071638045 /nfs/dbraw/zinc/63/80/45/1071638045.db2.gz PGWOFQXUAWMFNX-KJJMTIBFSA-N 1 1 472.653 3.923 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313950383 1071638144 /nfs/dbraw/zinc/63/81/44/1071638144.db2.gz PAXYZYZGWUKHHM-QRVBRYPASA-N 1 1 492.510 3.792 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950557 1071638690 /nfs/dbraw/zinc/63/86/90/1071638690.db2.gz VNVPZFHWMWOIBN-SFTDATJTSA-N 1 1 491.775 3.628 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCSC(F)(F)F)C2)CC1 ZINC001313950575 1071638790 /nfs/dbraw/zinc/63/87/90/1071638790.db2.gz WAOMNBIBKAMPSD-LJQANCHMSA-N 1 1 498.619 3.635 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950694 1071638847 /nfs/dbraw/zinc/63/88/47/1071638847.db2.gz PXHZIOFSCDUGLV-TZIWHRDSSA-N 1 1 459.708 3.824 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C2CCC2)CC1 ZINC001313950869 1071640057 /nfs/dbraw/zinc/64/00/57/1071640057.db2.gz RFEKKXHVKAURLS-GOSISDBHSA-N 1 1 475.479 3.970 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951029 1071640642 /nfs/dbraw/zinc/64/06/42/1071640642.db2.gz CTCUGPHRZCVRDA-WMTXJRDZSA-N 1 1 454.663 3.643 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951179 1071641173 /nfs/dbraw/zinc/64/11/73/1071641173.db2.gz ZNIIKVVJNSZITE-HSZRJFAPSA-N 1 1 470.731 3.811 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001313951474 1071642331 /nfs/dbraw/zinc/64/23/31/1071642331.db2.gz UIAFHYUDMZBXCK-JOCHJYFZSA-N 1 1 468.690 3.551 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313951485 1071642433 /nfs/dbraw/zinc/64/24/33/1071642433.db2.gz IQIMKSSQTZLOBI-OAQYLSRUSA-N 1 1 481.689 3.801 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313951652 1071643109 /nfs/dbraw/zinc/64/31/09/1071643109.db2.gz APPULZLDTPQSAQ-NHCUHLMSSA-N 1 1 465.621 3.950 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951888 1071643792 /nfs/dbraw/zinc/64/37/92/1071643792.db2.gz MAMZJDGNVNIUOF-XMMPIXPASA-N 1 1 496.744 3.671 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952695 1071646544 /nfs/dbraw/zinc/64/65/44/1071646544.db2.gz UBUJEXVHFNAAES-XUZZJYLKSA-N 1 1 472.653 3.895 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313953067 1071647827 /nfs/dbraw/zinc/64/78/27/1071647827.db2.gz AOVBXGXVZWYWBG-DEOSSOPVSA-N 1 1 498.716 3.895 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313953385 1071648341 /nfs/dbraw/zinc/64/83/41/1071648341.db2.gz CWRGRKCNODDRAI-HSZRJFAPSA-N 1 1 484.689 3.587 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCN(c4ccccc4F)C[C@H]3C)nnc2C(C)(C)C)CC1 ZINC001313953475 1071648881 /nfs/dbraw/zinc/64/88/81/1071648881.db2.gz GKNRYGABKMCUQI-JOCHJYFZSA-N 1 1 485.696 3.848 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313953681 1071649613 /nfs/dbraw/zinc/64/96/13/1071649613.db2.gz HSBXLVVSYUBBRO-QHCPKHFHSA-N 1 1 468.690 3.922 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001313954342 1071651248 /nfs/dbraw/zinc/65/12/48/1071651248.db2.gz OFECGRIDGJUHLG-WFXMLNOXSA-N 1 1 498.569 3.514 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001313953997 1071650071 /nfs/dbraw/zinc/65/00/71/1071650071.db2.gz MELHWLQMCWCNJM-UHFFFAOYSA-N 1 1 471.597 3.685 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001313954132 1071650628 /nfs/dbraw/zinc/65/06/28/1071650628.db2.gz OBTQAUCXBWMOIU-VQTJNVASSA-N 1 1 476.616 3.675 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313954117 1071650671 /nfs/dbraw/zinc/65/06/71/1071650671.db2.gz APPWQDLYRAEQAU-FGZHOGPDSA-N 1 1 479.648 3.874 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954573 1071651845 /nfs/dbraw/zinc/65/18/45/1071651845.db2.gz BXOGHWDAHNKYQA-UXHICEINSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955764 1071656751 /nfs/dbraw/zinc/65/67/51/1071656751.db2.gz IHXMABXGWSBMIW-SFHVURJKSA-N 1 1 473.716 3.605 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955772 1071656836 /nfs/dbraw/zinc/65/68/36/1071656836.db2.gz IIVLAHIRESIZDH-IBGZPJMESA-N 1 1 458.701 3.902 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954804 1071652863 /nfs/dbraw/zinc/65/28/63/1071652863.db2.gz CSJUNSHQTVKGLF-LJQANCHMSA-N 1 1 479.511 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954802 1071652965 /nfs/dbraw/zinc/65/29/65/1071652965.db2.gz CSJUNSHQTVKGLF-IBGZPJMESA-N 1 1 479.511 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955279 1071654800 /nfs/dbraw/zinc/65/48/00/1071654800.db2.gz QXGZVVADKOPXMI-ZVDOUQERSA-N 1 1 476.616 3.531 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313955601 1071656198 /nfs/dbraw/zinc/65/61/98/1071656198.db2.gz TUYZQVVSYZXYIY-OAQYLSRUSA-N 1 1 465.621 3.779 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313956474 1071658073 /nfs/dbraw/zinc/65/80/73/1071658073.db2.gz MQUUZMQMLGMPAZ-ZRBLBEILSA-N 1 1 454.663 3.674 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313956876 1071658750 /nfs/dbraw/zinc/65/87/50/1071658750.db2.gz OHTHDTAQWLCJAB-GOSISDBHSA-N 1 1 496.597 3.902 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313956877 1071658788 /nfs/dbraw/zinc/65/87/88/1071658788.db2.gz OHTHDTAQWLCJAB-SFHVURJKSA-N 1 1 496.597 3.902 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 ZINC001313957012 1071658817 /nfs/dbraw/zinc/65/88/17/1071658817.db2.gz AVRUUIQHMOVHLQ-OAQYLSRUSA-N 1 1 484.689 3.862 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313958284 1071663548 /nfs/dbraw/zinc/66/35/48/1071663548.db2.gz SAIZZBYZNVVCKS-IBGZPJMESA-N 1 1 498.569 3.660 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313959986 1071668637 /nfs/dbraw/zinc/66/86/37/1071668637.db2.gz DJBKNUYYWYTBIV-QFIPXVFZSA-N 1 1 454.663 3.820 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001313959054 1071665208 /nfs/dbraw/zinc/66/52/08/1071665208.db2.gz ZAQBEXBZGPEGIQ-GOSISDBHSA-N 1 1 470.559 3.670 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313960819 1071670979 /nfs/dbraw/zinc/67/09/79/1071670979.db2.gz NDQZMAKECCUQKT-HSZRJFAPSA-N 1 1 486.680 3.820 20 0 JHADMO CCN1CC[NH+](CCCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@H](C)C2)CC1 ZINC001313961495 1071672308 /nfs/dbraw/zinc/67/23/08/1071672308.db2.gz UKGDQLFZTSYWKJ-QGZVFWFLSA-N 1 1 461.452 3.500 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313974141 1071702438 /nfs/dbraw/zinc/70/24/38/1071702438.db2.gz QHEAOFBKTYGAEE-HXUWFJFHSA-N 1 1 480.682 3.803 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313974140 1071702360 /nfs/dbraw/zinc/70/23/60/1071702360.db2.gz QHEAOFBKTYGAEE-FQEVSTJZSA-N 1 1 480.682 3.803 20 0 JHADMO CCNC(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001313987041 1071724844 /nfs/dbraw/zinc/72/48/44/1071724844.db2.gz NRWUTKVMLATKQH-DEOSSOPVSA-N 1 1 482.673 3.874 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001313994594 1071730442 /nfs/dbraw/zinc/73/04/42/1071730442.db2.gz QQGYHUUYSSETRT-HSZRJFAPSA-N 1 1 481.689 3.727 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314016712 1071759591 /nfs/dbraw/zinc/75/95/91/1071759591.db2.gz QPIBILUEZQXHEA-QHCPKHFHSA-N 1 1 468.646 3.808 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001314019153 1071767418 /nfs/dbraw/zinc/76/74/18/1071767418.db2.gz FFAXFVVOEHESDI-UHFFFAOYSA-N 1 1 465.602 3.502 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314023758 1071779742 /nfs/dbraw/zinc/77/97/42/1071779742.db2.gz IHPXCWJRUWHYPP-FCHUYYIVSA-N 1 1 498.672 3.818 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001314031200 1071804851 /nfs/dbraw/zinc/80/48/51/1071804851.db2.gz GEGZRFJCGBLAHI-URXFXBBRSA-N 1 1 498.672 3.723 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001314034685 1071819437 /nfs/dbraw/zinc/81/94/37/1071819437.db2.gz SXJNPURXOIRAEV-DENIHFKCSA-N 1 1 456.635 3.953 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314043242 1071851963 /nfs/dbraw/zinc/85/19/63/1071851963.db2.gz CJUUZPNYVZDADF-JTHBVZDNSA-N 1 1 483.661 3.633 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001314053925 1071877188 /nfs/dbraw/zinc/87/71/88/1071877188.db2.gz DIIXHNOLPUBVGO-JTHBVZDNSA-N 1 1 471.646 3.528 20 0 JHADMO CCOC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001314053855 1071877224 /nfs/dbraw/zinc/87/72/24/1071877224.db2.gz BNKWKXXXESOOFK-UHFFFAOYSA-N 1 1 468.646 3.643 20 0 JHADMO CCOC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001314053855 1071877231 /nfs/dbraw/zinc/87/72/31/1071877231.db2.gz BNKWKXXXESOOFK-UHFFFAOYSA-N 1 1 468.646 3.643 20 0 JHADMO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001314060705 1071896304 /nfs/dbraw/zinc/89/63/04/1071896304.db2.gz CLXDOJGPAUYLBO-PKOBYXMFSA-N 1 1 468.606 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[C@@H](SCC)C3)n2C[C@@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314077978 1071937173 /nfs/dbraw/zinc/93/71/73/1071937173.db2.gz CNVANPLSUIOZOI-OOICKAIWSA-N 1 1 465.708 3.915 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314084025 1071950394 /nfs/dbraw/zinc/95/03/94/1071950394.db2.gz VEDAIUYQRVODMX-RUZDIDTESA-N 1 1 459.610 3.828 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CCC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CCOC1 ZINC001314093509 1071971270 /nfs/dbraw/zinc/97/12/70/1071971270.db2.gz ZWSMDDIQDRMDQW-QFQXNSOFSA-N 1 1 455.647 3.859 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099104 1071981043 /nfs/dbraw/zinc/98/10/43/1071981043.db2.gz PVNAOPLAGUBKQT-ZBLYBZFDSA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101491 1071985534 /nfs/dbraw/zinc/98/55/34/1071985534.db2.gz DFQQRLBWTYGXAE-HHJKRLRDSA-N 1 1 493.599 3.693 20 0 JHADMO 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CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCOC1 ZINC001314123145 1072027583 /nfs/dbraw/zinc/02/75/83/1072027583.db2.gz ICXIKPKIHSCTAK-AOJNWGRGSA-N 1 1 477.694 3.692 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@@H]3CSC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314126356 1072034497 /nfs/dbraw/zinc/03/44/97/1072034497.db2.gz XOOIQOFKEAXCNO-YZUZCNPQSA-N 1 1 465.708 3.630 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(C)(C)SC)CCOC1 ZINC001314127104 1072037055 /nfs/dbraw/zinc/03/70/55/1072037055.db2.gz VAGMTOYPPPVDBG-HSZRJFAPSA-N 1 1 451.681 3.527 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)[C@H](C)CC)CCOC1 ZINC001314138022 1072049458 /nfs/dbraw/zinc/04/94/58/1072049458.db2.gz QXCYYCPLIUJMTB-GQUJEBGOSA-N 1 1 491.702 3.672 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCO[C@H](c4ccccc4Cl)C3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001314144159 1072060704 /nfs/dbraw/zinc/06/07/04/1072060704.db2.gz BVGRSTJZNYLQLJ-DHLKQENFSA-N 1 1 492.064 3.892 20 0 JHADMO 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CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC[NH+]1CCOCC1 ZINC001306283875 1068700849 /nfs/dbraw/zinc/70/08/49/1068700849.db2.gz NJDOUSGFMNHPNA-CVDCTZTESA-N 1 1 468.646 3.884 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](C)CCOC ZINC001306287317 1068705547 /nfs/dbraw/zinc/70/55/47/1068705547.db2.gz OGBRHVVHRBSCHZ-VQIMIIECSA-N 1 1 450.425 3.911 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001306292614 1068709854 /nfs/dbraw/zinc/70/98/54/1068709854.db2.gz BZUZMJBUNVWDOX-QNWVGRARSA-N 1 1 472.653 3.895 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306316297 1068735798 /nfs/dbraw/zinc/73/57/98/1068735798.db2.gz DZAQZQBMPPZVCI-NHCUHLMSSA-N 1 1 498.697 3.936 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001306317510 1068738431 /nfs/dbraw/zinc/73/84/31/1068738431.db2.gz JOXBUAUFOSABKR-XZOQPEGZSA-N 1 1 467.662 3.762 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306317624 1068738897 /nfs/dbraw/zinc/73/88/97/1068738897.db2.gz AOMNZIAGHAHPLL-OAQYLSRUSA-N 1 1 489.686 3.622 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001306319265 1068744564 /nfs/dbraw/zinc/74/45/64/1068744564.db2.gz RYYUOHCQHKWTBL-PZJWPPBQSA-N 1 1 487.645 3.851 20 0 JHADMO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001306319349 1068744731 /nfs/dbraw/zinc/74/47/31/1068744731.db2.gz KMUPEDULDNFCMU-JOCHJYFZSA-N 1 1 470.662 3.757 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001306319349 1068744735 /nfs/dbraw/zinc/74/47/35/1068744735.db2.gz KMUPEDULDNFCMU-JOCHJYFZSA-N 1 1 470.662 3.757 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C1 ZINC001306319549 1068745427 /nfs/dbraw/zinc/74/54/27/1068745427.db2.gz UGECPAUYFLSVFM-GHTZIAJQSA-N 1 1 459.038 3.972 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)C1 ZINC001306319881 1068747334 /nfs/dbraw/zinc/74/73/34/1068747334.db2.gz OKVKEYBEOMDNTL-KRWDZBQOSA-N 1 1 465.429 3.795 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001306320221 1068747964 /nfs/dbraw/zinc/74/79/64/1068747964.db2.gz RPGOZMRPRJZPDH-LMMKCTJWSA-N 1 1 454.541 3.704 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOCC1 ZINC001306320206 1068747972 /nfs/dbraw/zinc/74/79/72/1068747972.db2.gz RNUKFQQNDKMWDQ-QGZVFWFLSA-N 1 1 466.399 3.948 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001306320350 1068748834 /nfs/dbraw/zinc/74/88/34/1068748834.db2.gz UKZPSTIIEHZIIK-HXUWFJFHSA-N 1 1 462.589 3.605 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321586 1068751741 /nfs/dbraw/zinc/75/17/41/1068751741.db2.gz FRSKVSRPCJNFFR-XZOQPEGZSA-N 1 1 473.687 3.514 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001306322400 1068753017 /nfs/dbraw/zinc/75/30/17/1068753017.db2.gz JTZKXYPYNJXPAZ-YMPZKCBVSA-N 1 1 474.694 3.568 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306322071 1068753140 /nfs/dbraw/zinc/75/31/40/1068753140.db2.gz JCQLGYOKKXHTLI-HSZRJFAPSA-N 1 1 481.689 3.996 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306322717 1068754355 /nfs/dbraw/zinc/75/43/55/1068754355.db2.gz JEPCCPKWXJEJOU-GHTZIAJQSA-N 1 1 497.562 3.898 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001306323024 1068755939 /nfs/dbraw/zinc/75/59/39/1068755939.db2.gz NSAAYMMYJPIKNE-UXHICEINSA-N 1 1 471.650 3.983 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306323171 1068756478 /nfs/dbraw/zinc/75/64/78/1068756478.db2.gz KAHWZZBUXLFINU-GOTSBHOMSA-N 1 1 497.688 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306323188 1068756641 /nfs/dbraw/zinc/75/66/41/1068756641.db2.gz KAJAVDWXIDYHAA-QHCPKHFHSA-N 1 1 483.657 3.726 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001306323478 1068756685 /nfs/dbraw/zinc/75/66/85/1068756685.db2.gz LXFVDERPCPSNMR-RBBKRZOGSA-N 1 1 482.673 3.731 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001306323495 1068757154 /nfs/dbraw/zinc/75/71/54/1068757154.db2.gz LYISFMKEKRLEIT-IRLDBZIGSA-N 1 1 470.687 3.858 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001306323499 1068757366 /nfs/dbraw/zinc/75/73/66/1068757366.db2.gz LYISFMKEKRLEIT-UNMCSNQZSA-N 1 1 470.687 3.858 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001306324563 1068759923 /nfs/dbraw/zinc/75/99/23/1068759923.db2.gz PELUKWXNEWMKOB-QPTUXGOLSA-N 1 1 455.647 3.568 20 0 JHADMO 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CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001306386343 1068820568 /nfs/dbraw/zinc/82/05/68/1068820568.db2.gz GZVLVPRQTWYZRU-YPAWHYETSA-N 1 1 490.693 3.596 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CCN1CCOC ZINC001306387365 1068822286 /nfs/dbraw/zinc/82/22/86/1068822286.db2.gz PPLWXZGIKFKLNF-XMMPIXPASA-N 1 1 454.663 3.593 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001306389439 1068826392 /nfs/dbraw/zinc/82/63/92/1068826392.db2.gz FKAQLVNGIVULQB-SFTDATJTSA-N 1 1 466.586 3.658 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)CCS1 ZINC001306390343 1068828235 /nfs/dbraw/zinc/82/82/35/1068828235.db2.gz HSDCEKSIBPVZEO-OAQYLSRUSA-N 1 1 479.654 3.779 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCN(CC)CC2)C[C@H](C)O1 ZINC001306396544 1068844913 /nfs/dbraw/zinc/84/49/13/1068844913.db2.gz WDCZUZPXNJLACI-QZNHQXDQSA-N 1 1 488.652 3.589 20 0 JHADMO 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CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306518382 1069132481 /nfs/dbraw/zinc/13/24/81/1069132481.db2.gz RPRWQOMLQGCQDL-HXUWFJFHSA-N 1 1 455.651 3.670 20 0 JHADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1)Cc1ccccc1 ZINC001310746449 1069148259 /nfs/dbraw/zinc/14/82/59/1069148259.db2.gz NFRHQSATPQGYJD-UHFFFAOYSA-N 1 1 457.644 3.933 20 0 JHADMO COc1ccccc1-c1nnc(NC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001310770789 1069155937 /nfs/dbraw/zinc/15/59/37/1069155937.db2.gz ZSUPUWQGQUPGAF-KRWDZBQOSA-N 1 1 452.584 3.546 20 0 JHADMO CCC[C@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306529402 1069164669 /nfs/dbraw/zinc/16/46/69/1069164669.db2.gz JBRUFFMCISXNDP-RLWLMLJZSA-N 1 1 471.646 3.967 20 0 JHADMO 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 1069183084 /nfs/dbraw/zinc/18/30/84/1069183084.db2.gz RISQLZQARPQJMX-BPUGDSSMSA-N 1 1 490.693 3.617 20 0 JHADMO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)c2)c1 ZINC001310832383 1069183721 /nfs/dbraw/zinc/18/37/21/1069183721.db2.gz LQTICBXZADOLEX-VWLOTQADSA-N 1 1 450.539 3.675 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC001310886691 1069210072 /nfs/dbraw/zinc/21/00/72/1069210072.db2.gz PQKRMJQUBMNCPC-AEFFLSMTSA-N 1 1 458.525 3.748 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC001310886691 1069210081 /nfs/dbraw/zinc/21/00/81/1069210081.db2.gz PQKRMJQUBMNCPC-AEFFLSMTSA-N 1 1 458.525 3.748 20 0 JHADMO 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 1069228147 /nfs/dbraw/zinc/22/81/47/1069228147.db2.gz PODZPRHVGJEWOT-SJLPKXTDSA-N 1 1 458.525 3.606 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306564882 1069233048 /nfs/dbraw/zinc/23/30/48/1069233048.db2.gz BXUJTJLRPITFAP-FQEVSTJZSA-N 1 1 463.630 3.591 20 0 JHADMO COC(=O)C[C@@](C)(NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)c1cccnc1 ZINC001310981355 1069239303 /nfs/dbraw/zinc/23/93/03/1069239303.db2.gz GUJRHWLHXZOYTB-HSZRJFAPSA-N 1 1 453.568 3.886 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001306571819 1069239470 /nfs/dbraw/zinc/23/94/70/1069239470.db2.gz NHFOXIOPRLDIRB-OALUTQOASA-N 1 1 461.680 3.737 20 0 JHADMO 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 1069241906 /nfs/dbraw/zinc/24/19/06/1069241906.db2.gz DAQCXQHBZJOELD-PXAZEXFGSA-N 1 1 455.399 3.984 20 0 JHADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)CC2)cs1 ZINC001306577026 1069242773 /nfs/dbraw/zinc/24/27/73/1069242773.db2.gz KKJYJHZARAJFKN-FQEVSTJZSA-N 1 1 458.525 3.589 20 0 JHADMO CCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CCC1 ZINC001306597965 1069273727 /nfs/dbraw/zinc/27/37/27/1069273727.db2.gz ADLFIKVWRWNKQT-LJQANCHMSA-N 1 1 459.660 3.849 20 0 JHADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CC1 ZINC001311098983 1069273733 /nfs/dbraw/zinc/27/37/33/1069273733.db2.gz DXYWKCKANBKEON-UHFFFAOYSA-N 1 1 455.525 3.592 20 0 JHADMO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164826 1069287857 /nfs/dbraw/zinc/28/78/57/1069287857.db2.gz ZKYHCRDEVQGCIJ-KAGYGMCKSA-N 1 1 457.619 3.881 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cc(OC)ccc3Br)n2CCn2cc[nH+]c2C)CCO1 ZINC001306616777 1069298958 /nfs/dbraw/zinc/29/89/58/1069298958.db2.gz JHJBKQXRQPBOGT-SFHVURJKSA-N 1 1 489.418 3.927 20 0 JHADMO CN(C)c1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc(C(F)(F)F)c1 ZINC001311230241 1069302675 /nfs/dbraw/zinc/30/26/75/1069302675.db2.gz ZDDWXXLXDUSXCO-UWJYYQICSA-N 1 1 450.505 3.776 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC001306620921 1069308171 /nfs/dbraw/zinc/30/81/71/1069308171.db2.gz KWUIJNSZPKFRTA-HXUWFJFHSA-N 1 1 487.048 3.931 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[NH+](C)C ZINC000003450455 562927169 /nfs/dbraw/zinc/92/71/69/562927169.db2.gz OCBACWWETMARQE-KBMIEXCESA-N 1 1 493.629 3.868 20 0 JHADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164410138 718866927 /nfs/dbraw/zinc/86/69/27/718866927.db2.gz XDLMFCAXBLASDU-UHFFFAOYSA-N 1 1 456.616 3.933 20 0 JHADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164431967 718978695 /nfs/dbraw/zinc/97/86/95/718978695.db2.gz CYOBZWOSOAAGIC-UQBPGWFLSA-N 1 1 470.639 3.714 20 0 JHADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164434176 718978885 /nfs/dbraw/zinc/97/88/85/718978885.db2.gz PGWRMERWFCSXJW-VGYIUAJSSA-N 1 1 484.666 3.960 20 0 JHADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@H]54)ccc3C2)cc1 ZINC001164648518 719292881 /nfs/dbraw/zinc/29/28/81/719292881.db2.gz UUADFEVKWPXORV-GTNKKZTPSA-N 1 1 456.590 3.988 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)c2c1C ZINC001164646643 719305000 /nfs/dbraw/zinc/30/50/00/719305000.db2.gz BGUGONGYQQWJNP-SKPFHBQLSA-N 1 1 483.682 3.900 20 0 JHADMO COc1ccc(-c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)c(OC)c1OC ZINC001164652052 719316782 /nfs/dbraw/zinc/31/67/82/719316782.db2.gz MLJJWTLKJJAAHS-UHFFFAOYSA-N 1 1 466.586 3.571 20 0 JHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164652012 719317135 /nfs/dbraw/zinc/31/71/35/719317135.db2.gz LMKPYQMPOORELD-UHFFFAOYSA-N 1 1 451.909 3.732 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663132 719356477 /nfs/dbraw/zinc/35/64/77/719356477.db2.gz CJDQJIDLTMLAAK-FQEVSTJZSA-N 1 1 487.382 3.913 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663116 719357741 /nfs/dbraw/zinc/35/77/41/719357741.db2.gz CGZTVSSZOKATGD-QFIPXVFZSA-N 1 1 491.974 3.741 20 0 JHADMO CCn1nnc2c1[C@H](COC)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164662996 719361547 /nfs/dbraw/zinc/36/15/47/719361547.db2.gz HAIBQSSPIYVOCX-INIZCTEOSA-N 1 1 467.643 3.528 20 0 JHADMO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1)N1CCCC1 ZINC001164677809 719542120 /nfs/dbraw/zinc/54/21/20/719542120.db2.gz GSZLFZGKZWYPAP-HMXCVIKNSA-N 1 1 495.693 3.772 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)CC2 ZINC001164690226 719741930 /nfs/dbraw/zinc/74/19/30/719741930.db2.gz VWOFROHRPTVWKR-UHFFFAOYSA-N 1 1 459.685 3.614 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CC2 ZINC001164690225 719747742 /nfs/dbraw/zinc/74/77/42/719747742.db2.gz VWCNJBMSMZUNJG-UHFFFAOYSA-N 1 1 454.018 3.857 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)CC2 ZINC001164692987 719757904 /nfs/dbraw/zinc/75/79/04/719757904.db2.gz WYLQYYYCVZYBOB-UHFFFAOYSA-N 1 1 463.960 3.831 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164691623 719772288 /nfs/dbraw/zinc/77/22/88/719772288.db2.gz PDLPVLVGDJGVOM-UXHICEINSA-N 1 1 464.639 3.925 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)CC1 ZINC001164691301 719811394 /nfs/dbraw/zinc/81/13/94/719811394.db2.gz FCTOBRSNQZOTEA-UHFFFAOYSA-N 1 1 484.670 3.656 20 0 JHADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692087 719814018 /nfs/dbraw/zinc/81/40/18/719814018.db2.gz LMJMGIMSDICRNR-GOSISDBHSA-N 1 1 477.700 3.948 20 0 JHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164697183 719817373 /nfs/dbraw/zinc/81/73/73/719817373.db2.gz AQCDPCIVEPKZFH-AWEZNQCLSA-N 1 1 450.008 3.806 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC001164703134 719868047 /nfs/dbraw/zinc/86/80/47/719868047.db2.gz JXJKYKVKRQBDSM-BVZFJXPGSA-N 1 1 482.606 3.600 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc3c(c21)CCCCC3 ZINC001164705698 719868658 /nfs/dbraw/zinc/86/86/58/719868658.db2.gz NVFCHIKXZRKPCQ-MZNJEOGPSA-N 1 1 458.628 3.501 20 0 JHADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)C1 ZINC001164698444 719897733 /nfs/dbraw/zinc/89/77/33/719897733.db2.gz SVPLODLIAUNRQX-HXUWFJFHSA-N 1 1 454.640 3.887 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)c2c1C ZINC001164803888 720050053 /nfs/dbraw/zinc/05/00/53/720050053.db2.gz KYVXHKCRLNLGLA-CPJSRVTESA-N 1 1 482.654 3.555 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164718588 720115569 /nfs/dbraw/zinc/11/55/69/720115569.db2.gz SXFVJUDULDSJKB-FQEVSTJZSA-N 1 1 453.656 3.980 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164717488 720117364 /nfs/dbraw/zinc/11/73/64/720117364.db2.gz PMUQULOCSVDLPH-JOCHJYFZSA-N 1 1 452.599 3.939 20 0 JHADMO 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FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863295 721032500 /nfs/dbraw/zinc/03/25/00/721032500.db2.gz QOFZKBUTKZWHIG-UHFFFAOYSA-N 1 1 464.307 3.986 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)n1 ZINC001164767453 721066649 /nfs/dbraw/zinc/06/66/49/721066649.db2.gz LXBZJFIVBGWAND-YCRNBWNJSA-N 1 1 496.681 3.655 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866737 721092837 /nfs/dbraw/zinc/09/28/37/721092837.db2.gz UTIFWRBACSDQGB-SFTDATJTSA-N 1 1 451.958 3.584 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@@H]3C2)cn1 ZINC001164768111 721132625 /nfs/dbraw/zinc/13/26/25/721132625.db2.gz NHAVGCQOIWPMQC-MOPGFXCFSA-N 1 1 468.964 3.818 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871096 721136596 /nfs/dbraw/zinc/13/65/96/721136596.db2.gz DPJWBTTZNUZLBA-RTBURBONSA-N 1 1 472.927 3.612 20 0 JHADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877684 721149901 /nfs/dbraw/zinc/14/99/01/721149901.db2.gz PPWDAUSSQGLISE-IRXDYDNUSA-N 1 1 461.900 3.810 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(F)cc4C(=O)NCc4cccs4)C[C@H]3C2)cn1 ZINC001164771351 721163519 /nfs/dbraw/zinc/16/35/19/721163519.db2.gz SGSXEYNLTHZKSZ-IAGOWNOFSA-N 1 1 489.020 3.557 20 0 JHADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869742 721184898 /nfs/dbraw/zinc/18/48/98/721184898.db2.gz ANEYLNZEXZUQRD-AZUAARDMSA-N 1 1 455.921 3.936 20 0 JHADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164868382 721198161 /nfs/dbraw/zinc/19/81/61/721198161.db2.gz MOLPQAOUJCPJEI-MSOLQXFVSA-N 1 1 463.413 3.648 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771467 721200932 /nfs/dbraw/zinc/20/09/32/721200932.db2.gz QFAHOUXGTOXODX-NHCUHLMSSA-N 1 1 465.671 3.596 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765657 721202522 /nfs/dbraw/zinc/20/25/22/721202522.db2.gz IBNBPHPHVGVBOO-WOJBJXKFSA-N 1 1 471.634 3.934 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164764494 721240975 /nfs/dbraw/zinc/24/09/75/721240975.db2.gz OQFJZAYJQCQELY-MSOLQXFVSA-N 1 1 454.962 3.623 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC2)C1 ZINC001164869367 721268452 /nfs/dbraw/zinc/26/84/52/721268452.db2.gz LXGSVEUUYBEHAN-UHFFFAOYSA-N 1 1 486.831 3.597 20 0 JHADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164778676 721324135 /nfs/dbraw/zinc/32/41/35/721324135.db2.gz QNZGBRJRRLIKNR-UHFFFAOYSA-N 1 1 481.000 3.518 20 0 JHADMO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164779009 721325972 /nfs/dbraw/zinc/32/59/72/721325972.db2.gz SXVWKOMWAUUHTR-OAQYLSRUSA-N 1 1 475.568 3.776 20 0 JHADMO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164779009 721325975 /nfs/dbraw/zinc/32/59/75/721325975.db2.gz SXVWKOMWAUUHTR-OAQYLSRUSA-N 1 1 475.568 3.776 20 0 JHADMO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=[NH+]O4)CC3)c(Cl)nn2)c1 ZINC001164874835 721327656 /nfs/dbraw/zinc/32/76/56/721327656.db2.gz JSUSODKMVWQWHL-UHFFFAOYSA-N 1 1 451.905 3.985 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@@H]4C3)c2c1C ZINC001164888468 721351412 /nfs/dbraw/zinc/35/14/12/721351412.db2.gz XBIDWCVNBSFMDZ-YADHBBJMSA-N 1 1 491.661 3.881 20 0 JHADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164778689 721352745 /nfs/dbraw/zinc/35/27/45/721352745.db2.gz NTGCQDWZQBXYRV-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164778689 721352748 /nfs/dbraw/zinc/35/27/48/721352748.db2.gz NTGCQDWZQBXYRV-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164787094 721357783 /nfs/dbraw/zinc/35/77/83/721357783.db2.gz YXXBWJSHZRZELT-OAQYLSRUSA-N 1 1 470.948 3.926 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164787094 721357788 /nfs/dbraw/zinc/35/77/88/721357788.db2.gz YXXBWJSHZRZELT-OAQYLSRUSA-N 1 1 470.948 3.926 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164782224 721362040 /nfs/dbraw/zinc/36/20/40/721362040.db2.gz LIUPKYKLZFWNOM-MHZLTWQESA-N 1 1 476.625 3.933 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164782224 721362045 /nfs/dbraw/zinc/36/20/45/721362045.db2.gz LIUPKYKLZFWNOM-MHZLTWQESA-N 1 1 476.625 3.933 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)c2c1C ZINC001164884576 721366223 /nfs/dbraw/zinc/36/62/23/721366223.db2.gz VOQYBGHKXFGMBI-VQTJNVASSA-N 1 1 481.597 3.664 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164781310 721375121 /nfs/dbraw/zinc/37/51/21/721375121.db2.gz IYALSDJGAZMIIN-XMMPIXPASA-N 1 1 468.989 3.916 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164781310 721375123 /nfs/dbraw/zinc/37/51/23/721375123.db2.gz IYALSDJGAZMIIN-XMMPIXPASA-N 1 1 468.989 3.916 20 0 JHADMO COc1cc(C)c2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779868 721376969 /nfs/dbraw/zinc/37/69/69/721376969.db2.gz CULLMGRVOQVZHF-RUZDIDTESA-N 1 1 451.571 3.671 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781910 721386714 /nfs/dbraw/zinc/38/67/14/721386714.db2.gz KXDRKZHUHVCGFE-ATIYNZHBSA-N 1 1 452.599 3.542 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)O2)CC1 ZINC001164889248 721394267 /nfs/dbraw/zinc/39/42/67/721394267.db2.gz LFOFMJMWBWHIEU-ZHRRBRCNSA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)cccc54)C3)O2)CC1 ZINC001164886070 721406046 /nfs/dbraw/zinc/40/60/46/721406046.db2.gz HTOMEVZQOAXBOZ-AOMKIAJQSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890100 721407749 /nfs/dbraw/zinc/40/77/49/721407749.db2.gz SCSCVXDDHNTMEG-ABYGYWHVSA-N 1 1 484.648 3.971 20 0 JHADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787238 721418125 /nfs/dbraw/zinc/41/81/25/721418125.db2.gz PUEXYBVSMWSNFA-KBPBESRZSA-N 1 1 478.018 3.890 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164885244 721418336 /nfs/dbraw/zinc/41/83/36/721418336.db2.gz GJDFBTACKMIBQD-JXFKEZNVSA-N 1 1 461.022 3.767 20 0 JHADMO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891950 721419226 /nfs/dbraw/zinc/41/92/26/721419226.db2.gz WXKPOGKULFQKIM-UFHPHHKVSA-N 1 1 459.638 3.850 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c(-c6ccccc6)nsc54)C3)O2)CC1 ZINC001164893828 721436543 /nfs/dbraw/zinc/43/65/43/721436543.db2.gz KUXAGWRJWRYRRC-CJFMBICVSA-N 1 1 464.639 3.519 20 0 JHADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891435 721437991 /nfs/dbraw/zinc/43/79/91/721437991.db2.gz GODSHJJBTHBOOZ-OFVILXPXSA-N 1 1 456.034 3.871 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)C3)O2)CC1 ZINC001164894953 721441340 /nfs/dbraw/zinc/44/13/40/721441340.db2.gz NUBTZUGEUBKYBC-DVECYGJZSA-N 1 1 459.997 3.702 20 0 JHADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164893299 721448449 /nfs/dbraw/zinc/44/84/49/721448449.db2.gz ZAHHRTANJQFDGQ-OFVILXPXSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164890873 721450104 /nfs/dbraw/zinc/45/01/04/721450104.db2.gz SXXKBESGILBQRY-HNAYVOBHSA-N 1 1 465.372 3.579 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164788632 721452701 /nfs/dbraw/zinc/45/27/01/721452701.db2.gz RSGLDDNPQHIRSA-NRFANRHFSA-N 1 1 472.033 3.926 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164783595 721452712 /nfs/dbraw/zinc/45/27/12/721452712.db2.gz CJBUZIWEQIYJHA-SFHVURJKSA-N 1 1 467.079 3.653 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)O2)CC1 ZINC001164890159 721453183 /nfs/dbraw/zinc/45/31/83/721453183.db2.gz QOSVMAOQSSUYJX-UGKGYDQZSA-N 1 1 454.993 3.923 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164782684 721459958 /nfs/dbraw/zinc/45/99/58/721459958.db2.gz AUEZPADYRSVMEQ-NRFANRHFSA-N 1 1 484.641 3.689 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164790038 721461403 /nfs/dbraw/zinc/46/14/03/721461403.db2.gz ZEFKBRVYYNPMKY-QGZVFWFLSA-N 1 1 466.051 3.782 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164785500 721464638 /nfs/dbraw/zinc/46/46/38/721464638.db2.gz LQLPRMWDEIFVHV-IBGZPJMESA-N 1 1 496.002 3.957 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164787966 721467967 /nfs/dbraw/zinc/46/79/67/721467967.db2.gz HBKSKXHTLWMTSO-JOCHJYFZSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164786397 721471211 /nfs/dbraw/zinc/47/12/11/721471211.db2.gz BCLZCDJLPIJCNY-LJQANCHMSA-N 1 1 466.022 3.564 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164790634 721473216 /nfs/dbraw/zinc/47/32/16/721473216.db2.gz SXFWGBJPMKTCEW-SFHVURJKSA-N 1 1 452.690 3.654 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)c2c1C ZINC001164789064 721482165 /nfs/dbraw/zinc/48/21/65/721482165.db2.gz AQQVJEFFAIKDSB-HKBOAZHASA-N 1 1 499.681 3.689 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164898640 721483505 /nfs/dbraw/zinc/48/35/05/721483505.db2.gz WOTPUWNKCGKPHQ-IBVKSMDESA-N 1 1 483.682 3.663 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)c2c1C ZINC001164792448 721487502 /nfs/dbraw/zinc/48/75/02/721487502.db2.gz JFTVXPKAFYAJCE-BVZFJXPGSA-N 1 1 483.613 3.970 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900012 721515508 /nfs/dbraw/zinc/51/55/08/721515508.db2.gz NAPGALVHAQPGNN-WMZOPIPTSA-N 1 1 456.905 3.551 20 0 JHADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909319 721528673 /nfs/dbraw/zinc/52/86/73/721528673.db2.gz RITXNXBZVPSTNQ-SJLPKXTDSA-N 1 1 496.917 3.723 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903012 721534839 /nfs/dbraw/zinc/53/48/39/721534839.db2.gz BUPHUAOHLFCKLC-WMZOPIPTSA-N 1 1 456.905 3.551 20 0 JHADMO 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Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164975554 722107464 /nfs/dbraw/zinc/10/74/64/722107464.db2.gz CNEPLOYUZTYMCF-KGLIPLIRSA-N 1 1 480.787 3.502 20 0 JHADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982350 722108458 /nfs/dbraw/zinc/10/84/58/722108458.db2.gz NRXCEDHYQXXQIS-RDGATRHJSA-N 1 1 491.039 3.768 20 0 JHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981750 722110811 /nfs/dbraw/zinc/11/08/11/722110811.db2.gz VDCMWIVYCSKZLB-LAUBAEHRSA-N 1 1 459.928 3.950 20 0 JHADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973991 722123672 /nfs/dbraw/zinc/12/36/72/722123672.db2.gz IGSBVGAQEDPANM-WIOPSUGQSA-N 1 1 472.568 3.741 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980341 722136420 /nfs/dbraw/zinc/13/64/20/722136420.db2.gz MZBPAKGOWKNOLR-JWQCQUIFSA-N 1 1 467.573 3.847 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983336 722138456 /nfs/dbraw/zinc/13/84/56/722138456.db2.gz UGTQMLJOAMAVCW-UXHICEINSA-N 1 1 486.954 3.859 20 0 JHADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975168 722144475 /nfs/dbraw/zinc/14/44/75/722144475.db2.gz FAAJJLSSJVNVLL-XLIONFOSSA-N 1 1 459.928 3.950 20 0 JHADMO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC001164987493 722183244 /nfs/dbraw/zinc/18/32/44/722183244.db2.gz IERDTYDPXDORMC-SFTDATJTSA-N 1 1 462.063 3.966 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@@H]43)c2c1C ZINC001164994620 722215910 /nfs/dbraw/zinc/21/59/10/722215910.db2.gz BWZGYHDCBAJUDH-SLFFLAALSA-N 1 1 471.671 3.802 20 0 JHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n2)cc1 ZINC001164997644 722231722 /nfs/dbraw/zinc/23/17/22/722231722.db2.gz RIVMLRDOAPMKNE-UHFFFAOYSA-N 1 1 499.594 3.592 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001306622288 1069312023 /nfs/dbraw/zinc/31/20/23/1069312023.db2.gz JOBTZPNRGDJPCH-NRFANRHFSA-N 1 1 455.603 3.620 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccsc2)CC[N@H+]1CCOC ZINC001306622728 1069313336 /nfs/dbraw/zinc/31/33/36/1069313336.db2.gz DBDRSSLLZFQHIR-PXDATVDWSA-N 1 1 484.670 3.555 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001306624545 1069317773 /nfs/dbraw/zinc/31/77/73/1069317773.db2.gz ZJJLLSDJQCMNCF-MOPGFXCFSA-N 1 1 466.001 3.590 20 0 JHADMO CCC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2nccn2C(F)F)CC[N@H+]1CCOC ZINC001306625831 1069319781 /nfs/dbraw/zinc/31/97/81/1069319781.db2.gz UJHBFMXATDJANI-SFHVURJKSA-N 1 1 451.566 3.513 20 0 JHADMO CC[C@H]1CN(C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC001311328509 1069326301 /nfs/dbraw/zinc/32/63/01/1069326301.db2.gz LAFHBORRXKIALS-SFHVURJKSA-N 1 1 456.568 3.750 20 0 JHADMO CC[C@H]1CN(C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC001311328509 1069326320 /nfs/dbraw/zinc/32/63/20/1069326320.db2.gz LAFHBORRXKIALS-SFHVURJKSA-N 1 1 456.568 3.750 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cnc3ccccc32)CC[N@H+]1CCOC ZINC001306628583 1069327336 /nfs/dbraw/zinc/32/73/36/1069327336.db2.gz GZAWTMPEZZPKFC-OAQYLSRUSA-N 1 1 467.662 3.854 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CC[N@H+]1CCOC ZINC001306630199 1069329495 /nfs/dbraw/zinc/32/94/95/1069329495.db2.gz MNNZUWFEKGRYBJ-QHCPKHFHSA-N 1 1 483.636 3.573 20 0 JHADMO Cc1cc(Br)c2c(c1)CCN(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC001311345346 1069331986 /nfs/dbraw/zinc/33/19/86/1069331986.db2.gz UWDGITPLLYLLFJ-UHFFFAOYSA-N 1 1 450.421 3.860 20 0 JHADMO 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 ZINC001306633487 1069336947 /nfs/dbraw/zinc/33/69/47/1069336947.db2.gz BZEODWKAMZGIHY-CGXNFDGLSA-N 1 1 476.666 3.538 20 0 JHADMO 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 ZINC001306633932 1069338128 /nfs/dbraw/zinc/33/81/28/1069338128.db2.gz DDJBKLIJNUQJQF-MHTWAQMVSA-N 1 1 476.666 3.538 20 0 JHADMO CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC001311358248 1069342183 /nfs/dbraw/zinc/34/21/83/1069342183.db2.gz QSTYSEVEJYTEFR-QFIPXVFZSA-N 1 1 452.624 3.572 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306635622 1069342855 /nfs/dbraw/zinc/34/28/55/1069342855.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 1 1 476.710 3.577 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306635622 1069342875 /nfs/dbraw/zinc/34/28/75/1069342875.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 1 1 476.710 3.577 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001306635781 1069343578 /nfs/dbraw/zinc/34/35/78/1069343578.db2.gz SMSWALRHTGVWFK-UXHICEINSA-N 1 1 455.651 3.916 20 0 JHADMO CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311366319 1069346496 /nfs/dbraw/zinc/34/64/96/1069346496.db2.gz BDVCMBVRTZJAAM-JWQCQUIFSA-N 1 1 454.590 3.505 20 0 JHADMO CCCCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306636843 1069345886 /nfs/dbraw/zinc/34/58/86/1069345886.db2.gz BXKYMYAZOOCLLO-GMAHTHKFSA-N 1 1 496.704 3.768 20 0 JHADMO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001311376953 1069350939 /nfs/dbraw/zinc/35/09/39/1069350939.db2.gz MPWKFTAXRBDLON-FBILRYNDSA-N 1 1 450.627 3.973 20 0 JHADMO CNC(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)C1 ZINC001311375425 1069349655 /nfs/dbraw/zinc/34/96/55/1069349655.db2.gz QAWVHLXSTKAAQN-FCHUYYIVSA-N 1 1 454.640 3.748 20 0 JHADMO CNC(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)C1 ZINC001311375425 1069349668 /nfs/dbraw/zinc/34/96/68/1069349668.db2.gz QAWVHLXSTKAAQN-FCHUYYIVSA-N 1 1 454.640 3.748 20 0 JHADMO CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306643795 1069354564 /nfs/dbraw/zinc/35/45/64/1069354564.db2.gz GAVMDCDZWYKUSC-AVRDEDQJSA-N 1 1 489.064 3.786 20 0 JHADMO CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306643798 1069355067 /nfs/dbraw/zinc/35/50/67/1069355067.db2.gz GAVMDCDZWYKUSC-XMSQKQJNSA-N 1 1 489.064 3.786 20 0 JHADMO C[C@H](CNC(=O)NC1(c2ccc(Br)cc2)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311378267 1069351746 /nfs/dbraw/zinc/35/17/46/1069351746.db2.gz ZRRJHMQWNGNHRE-GOSISDBHSA-N 1 1 457.416 3.948 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CC[N@H+]1CCOC ZINC001306645643 1069356656 /nfs/dbraw/zinc/35/66/56/1069356656.db2.gz LOEJXNLFNIXCFN-INIZCTEOSA-N 1 1 458.554 3.530 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001306646693 1069358211 /nfs/dbraw/zinc/35/82/11/1069358211.db2.gz MUEUZRDONPJOPI-SFHVURJKSA-N 1 1 460.420 3.975 20 0 JHADMO CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306647315 1069358925 /nfs/dbraw/zinc/35/89/25/1069358925.db2.gz HOEHJJVQBMADTP-UHFFFAOYSA-N 1 1 495.672 3.973 20 0 JHADMO CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306647315 1069358939 /nfs/dbraw/zinc/35/89/39/1069358939.db2.gz HOEHJJVQBMADTP-UHFFFAOYSA-N 1 1 495.672 3.973 20 0 JHADMO CC[C@H](CNC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC001311393967 1069359877 /nfs/dbraw/zinc/35/98/77/1069359877.db2.gz DZUSCLUAPQIPJH-NFBKMPQASA-N 1 1 453.537 3.924 20 0 JHADMO C[C@@H](CNC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC001311398910 1069361658 /nfs/dbraw/zinc/36/16/58/1069361658.db2.gz BNWJEMIRTZCGPW-GUXCAODWSA-N 1 1 450.546 3.881 20 0 JHADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCc1cccc(C(N)=O)c1)c1ccc(Cl)cc1 ZINC001311410816 1069366669 /nfs/dbraw/zinc/36/66/69/1069366669.db2.gz KEIHRDSFFMWDAW-SFHVURJKSA-N 1 1 456.896 3.864 20 0 JHADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCc1cccc(C(N)=O)c1)c1ccc(Cl)cc1 ZINC001311410816 1069366679 /nfs/dbraw/zinc/36/66/79/1069366679.db2.gz KEIHRDSFFMWDAW-SFHVURJKSA-N 1 1 456.896 3.864 20 0 JHADMO CN(C)[C@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1Cl ZINC001311421598 1069368974 /nfs/dbraw/zinc/36/89/74/1069368974.db2.gz CIJRIRSOALXVBA-RPWUZVMVSA-N 1 1 458.050 3.621 20 0 JHADMO COc1cccc([C@@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441037 1069381782 /nfs/dbraw/zinc/38/17/82/1069381782.db2.gz LGIKBEFVMAFERJ-ZJSXRUAMSA-N 1 1 459.562 3.588 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001306663548 1069386033 /nfs/dbraw/zinc/38/60/33/1069386033.db2.gz KSWLRWNRNOGPSC-NRFANRHFSA-N 1 1 482.673 3.913 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306664320 1069388387 /nfs/dbraw/zinc/38/83/87/1069388387.db2.gz IASGVBSYBHMZNI-SZPZYZBQSA-N 1 1 490.737 3.839 20 0 JHADMO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001311462284 1069389251 /nfs/dbraw/zinc/38/92/51/1069389251.db2.gz SSLFQHZKYBRXDO-NSHDSACASA-N 1 1 451.192 3.918 20 0 JHADMO CCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306666792 1069394948 /nfs/dbraw/zinc/39/49/48/1069394948.db2.gz CUVUEUCARKIHED-GOSISDBHSA-N 1 1 463.468 3.970 20 0 JHADMO CCCCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306669146 1069396038 /nfs/dbraw/zinc/39/60/38/1069396038.db2.gz HAOJINHROCDWJE-INIZCTEOSA-N 1 1 497.507 3.948 20 0 JHADMO Cc1ccc([C@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)S(C)(=O)=O)cc1 ZINC001311481953 1069398156 /nfs/dbraw/zinc/39/81/56/1069398156.db2.gz NXRVZJFDTLWKAF-GBXCKJPGSA-N 1 1 457.640 3.741 20 0 JHADMO C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001311482996 1069398653 /nfs/dbraw/zinc/39/86/53/1069398653.db2.gz VBBKXTSNSPVNSQ-FQEVSTJZSA-N 1 1 452.574 3.736 20 0 JHADMO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482381 1069398698 /nfs/dbraw/zinc/39/86/98/1069398698.db2.gz JSMMOKASBRXHBJ-WUMKDDEVSA-N 1 1 450.583 3.943 20 0 JHADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H](c3cccs3)n3cccc3)cc2)CC1 ZINC001306673562 1069398878 /nfs/dbraw/zinc/39/88/78/1069398878.db2.gz XKBMNOJLPAFGMA-QFIPXVFZSA-N 1 1 450.608 3.874 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001306666694 1069395121 /nfs/dbraw/zinc/39/51/21/1069395121.db2.gz ZRJJSHVRFVJGCJ-XZOQPEGZSA-N 1 1 474.694 3.521 20 0 JHADMO C[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(N2CCCC2)c1 ZINC001311485560 1069399613 /nfs/dbraw/zinc/39/96/13/1069399613.db2.gz DKAAKKBEPNPWSZ-FQEVSTJZSA-N 1 1 459.635 3.590 20 0 JHADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NC(C)(C)c2cccc(Cl)c2F)CC1 ZINC001311487531 1069400762 /nfs/dbraw/zinc/40/07/62/1069400762.db2.gz UVYRQYREZJKTQA-UHFFFAOYSA-N 1 1 456.990 3.956 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC1 ZINC001306678892 1069403702 /nfs/dbraw/zinc/40/37/02/1069403702.db2.gz FEVYRGVXXLRQBY-DHIUTWEWSA-N 1 1 471.694 3.927 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 ZINC001306678922 1069403714 /nfs/dbraw/zinc/40/37/14/1069403714.db2.gz FYWDBWUPKIHUBZ-JOCHJYFZSA-N 1 1 465.708 3.709 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306678624 1069403793 /nfs/dbraw/zinc/40/37/93/1069403793.db2.gz MPFOWZPGCWDBOX-HXUWFJFHSA-N 1 1 496.626 3.511 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC1 ZINC001306679737 1069405877 /nfs/dbraw/zinc/40/58/77/1069405877.db2.gz JDIKATFPSYEESM-HXUWFJFHSA-N 1 1 450.697 3.650 20 0 JHADMO CCc1cc(N2CCC(NC(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)CC2)ncn1 ZINC001311496442 1069406270 /nfs/dbraw/zinc/40/62/70/1069406270.db2.gz NHAXWJFKTXKACR-FQEVSTJZSA-N 1 1 450.631 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001306680219 1069407294 /nfs/dbraw/zinc/40/72/94/1069407294.db2.gz BIWZFKPBFPJDEE-OALUTQOASA-N 1 1 477.053 3.860 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001306680842 1069408462 /nfs/dbraw/zinc/40/84/62/1069408462.db2.gz UBZBOKIZVMCJJQ-HSZRJFAPSA-N 1 1 474.694 3.523 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001306680728 1069407752 /nfs/dbraw/zinc/40/77/52/1069407752.db2.gz ZYIUHVLNNQCINY-JOCHJYFZSA-N 1 1 454.663 3.614 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CC[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001311501908 1069411017 /nfs/dbraw/zinc/41/10/17/1069411017.db2.gz KMWYJEHNWUTFEV-FYYLOGMGSA-N 1 1 455.002 3.863 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306682048 1069412418 /nfs/dbraw/zinc/41/24/18/1069412418.db2.gz APPWKEHWJIIEEH-JOCHJYFZSA-N 1 1 461.676 3.643 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001306680748 1069408594 /nfs/dbraw/zinc/40/85/94/1069408594.db2.gz DSLBUMDDGMJSMF-GOSISDBHSA-N 1 1 458.598 3.789 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001306681323 1069410071 /nfs/dbraw/zinc/41/00/71/1069410071.db2.gz WTNZBXKEZFCZEL-OAQYLSRUSA-N 1 1 459.038 3.825 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC001311511414 1069416517 /nfs/dbraw/zinc/41/65/17/1069416517.db2.gz GRXADFNHCRNLCM-HXUWFJFHSA-N 1 1 451.489 3.848 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC001311511414 1069416521 /nfs/dbraw/zinc/41/65/21/1069416521.db2.gz GRXADFNHCRNLCM-HXUWFJFHSA-N 1 1 451.489 3.848 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001306683531 1069417252 /nfs/dbraw/zinc/41/72/52/1069417252.db2.gz WGVWFEKIABIHQE-UHFFFAOYSA-N 1 1 482.032 3.688 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001306682644 1069414035 /nfs/dbraw/zinc/41/40/35/1069414035.db2.gz KLYUMUMKQMAHTN-SANMLTNESA-N 1 1 452.647 3.691 20 0 JHADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)C[C@@H](C)O1 ZINC001311510303 1069415911 /nfs/dbraw/zinc/41/59/11/1069415911.db2.gz FXZLVNHBCNCRLH-WOJBJXKFSA-N 1 1 453.631 3.854 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306683242 1069416061 /nfs/dbraw/zinc/41/60/61/1069416061.db2.gz PRRODOZBCKMVQS-UHFFFAOYSA-N 1 1 496.578 3.523 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001306686467 1069422658 /nfs/dbraw/zinc/42/26/58/1069422658.db2.gz VQUBQJIBLPTSNJ-RTWAWAEBSA-N 1 1 458.626 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306686190 1069422704 /nfs/dbraw/zinc/42/27/04/1069422704.db2.gz SEYBJYNJONSVTF-UWJYYQICSA-N 1 1 466.001 3.884 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306685576 1069421490 /nfs/dbraw/zinc/42/14/90/1069421490.db2.gz GYCOHBQUBDEXMX-NRFANRHFSA-N 1 1 492.709 3.986 20 0 JHADMO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001311526288 1069423355 /nfs/dbraw/zinc/42/33/55/1069423355.db2.gz WSWPKHJYCVZKBM-NTKDMRAZSA-N 1 1 452.599 3.627 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001306687077 1069423858 /nfs/dbraw/zinc/42/38/58/1069423858.db2.gz JHGKXSUVLZJERO-UHFFFAOYSA-N 1 1 478.689 3.815 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001306688539 1069425939 /nfs/dbraw/zinc/42/59/39/1069425939.db2.gz PRVYBAYWDRRMRM-WCYRKSIYSA-N 1 1 485.673 3.979 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CC(Cc2ccc(Br)cc2)C1)[NH+]1CCOCC1 ZINC001311536054 1069428416 /nfs/dbraw/zinc/42/84/16/1069428416.db2.gz VCRMQNMAYGZRCB-NRFANRHFSA-N 1 1 452.437 3.770 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001306692546 1069429816 /nfs/dbraw/zinc/42/98/16/1069429816.db2.gz LJVDCGFCPCBHTP-LJQANCHMSA-N 1 1 451.619 3.643 20 0 JHADMO COc1ccc(C[C@H]2CCCN(C(=O)NC[C@H](c3cccs3)N3CC[NH+](C)CC3)C2)cc1 ZINC001311574310 1069445289 /nfs/dbraw/zinc/44/52/89/1069445289.db2.gz ZBIYFOHYQUKUCD-FYYLOGMGSA-N 1 1 456.656 3.710 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574370 1069445723 /nfs/dbraw/zinc/44/57/23/1069445723.db2.gz RVGPBBNUDYUJMP-ZCYQVOJMSA-N 1 1 450.627 3.996 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574370 1069445728 /nfs/dbraw/zinc/44/57/28/1069445728.db2.gz RVGPBBNUDYUJMP-ZCYQVOJMSA-N 1 1 450.627 3.996 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306719907 1069454036 /nfs/dbraw/zinc/45/40/36/1069454036.db2.gz DWIOADZPEZNJHS-LVXARBLLSA-N 1 1 474.694 3.810 20 0 JHADMO CCCCn1cc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c(C)n1 ZINC001306720453 1069455043 /nfs/dbraw/zinc/45/50/43/1069455043.db2.gz SOWQPKCAXDSWBO-IBGZPJMESA-N 1 1 453.610 3.892 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001306721954 1069459032 /nfs/dbraw/zinc/45/90/32/1069459032.db2.gz DCUPLWPERVTQDT-QFIPXVFZSA-N 1 1 482.677 3.579 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306722825 1069461653 /nfs/dbraw/zinc/46/16/53/1069461653.db2.gz LMRBKDZECLTTIP-RBUKOAKNSA-N 1 1 459.038 3.955 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 ZINC001306721297 1069457404 /nfs/dbraw/zinc/45/74/04/1069457404.db2.gz WHSAGMFXAHYMDN-OAQYLSRUSA-N 1 1 485.652 3.537 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306723246 1069462802 /nfs/dbraw/zinc/46/28/02/1069462802.db2.gz PPURKDMMILTIDG-SFTDATJTSA-N 1 1 455.651 3.669 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306724965 1069465700 /nfs/dbraw/zinc/46/57/00/1069465700.db2.gz APIZBGBISRPRLY-RTBURBONSA-N 1 1 474.600 3.503 20 0 JHADMO CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001311614683 1069466713 /nfs/dbraw/zinc/46/67/13/1069466713.db2.gz LRTHABJINSIVDK-GMAHTHKFSA-N 1 1 456.631 3.705 20 0 JHADMO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306725881 1069466946 /nfs/dbraw/zinc/46/69/46/1069466946.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 1 1 459.708 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306725881 1069466954 /nfs/dbraw/zinc/46/69/54/1069466954.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 1 1 459.708 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306725711 1069467208 /nfs/dbraw/zinc/46/72/08/1069467208.db2.gz GUDNFUDNOSXHRB-YPAWHYETSA-N 1 1 490.693 3.930 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306726228 1069468911 /nfs/dbraw/zinc/46/89/11/1069468911.db2.gz KOJKZLLSJRLKCA-KNQAVFIVSA-N 1 1 473.065 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306727590 1069472783 /nfs/dbraw/zinc/47/27/83/1069472783.db2.gz FFWLESRVZVQPFJ-BHIFYINESA-N 1 1 490.693 3.930 20 0 JHADMO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(Br)c1 ZINC001311625406 1069474921 /nfs/dbraw/zinc/47/49/21/1069474921.db2.gz PAISTUKVDCDWPA-HNNXBMFYSA-N 1 1 450.352 3.981 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001306728520 1069476050 /nfs/dbraw/zinc/47/60/50/1069476050.db2.gz HLTBOOHXQMREOU-MKXGPGLRSA-N 1 1 459.557 3.940 20 0 JHADMO CCC[C@H]1CN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001311625846 1069475433 /nfs/dbraw/zinc/47/54/33/1069475433.db2.gz UDYYPLHUKWSMPK-SANMLTNESA-N 1 1 450.627 3.715 20 0 JHADMO 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C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC001307121443 1069896622 /nfs/dbraw/zinc/89/66/22/1069896622.db2.gz ZTAOQEQBBPQMMM-QZTJIDSGSA-N 1 1 469.611 3.812 20 0 JHADMO COc1cccc(C[NH+]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)CC2)c1 ZINC001307189666 1069905427 /nfs/dbraw/zinc/90/54/27/1069905427.db2.gz IWZXXNDGCOJMNB-UHFFFAOYSA-N 1 1 459.392 3.675 20 0 JHADMO C[N@H+]1CC[C@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312410636 1069916169 /nfs/dbraw/zinc/91/61/69/1069916169.db2.gz CAOXCEPCYVCJMS-CXAGYDPISA-N 1 1 459.875 3.913 20 0 JHADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312414019 1069919277 /nfs/dbraw/zinc/91/92/77/1069919277.db2.gz INYYVPZINPJDJK-SUMWQHHRSA-N 1 1 459.875 3.913 20 0 JHADMO CC(C)CC(=O)N1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312416304 1069921431 /nfs/dbraw/zinc/92/14/31/1069921431.db2.gz WCHPHAWTYVIGMZ-XMSQKQJNSA-N 1 1 453.002 3.762 20 0 JHADMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001312429267 1069931934 /nfs/dbraw/zinc/93/19/34/1069931934.db2.gz XZMVBWJOZGHNRA-UHFFFAOYSA-N 1 1 450.052 3.721 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444399 1069941335 /nfs/dbraw/zinc/94/13/35/1069941335.db2.gz STSBTTSPDHYBHL-CDMIOBSGSA-N 1 1 458.965 3.652 20 0 JHADMO CCOC1CC(Cn2c(-c3ccc(CC)cc3)nnc2N(C)CC(F)(F)F)([NH+]2CCOCC2)C1 ZINC001314240795 1069942644 /nfs/dbraw/zinc/94/26/44/1069942644.db2.gz VXXMGIOFNLEODV-UHFFFAOYSA-N 1 1 481.563 3.776 20 0 JHADMO CCO[C@H]1C[C@H](N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314241699 1069945251 /nfs/dbraw/zinc/94/52/51/1069945251.db2.gz DMMMMHCBVQMIRL-VXKWHMMOSA-N 1 1 468.602 3.807 20 0 JHADMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1(C)C ZINC001314242617 1069948860 /nfs/dbraw/zinc/94/88/60/1069948860.db2.gz HZUHXQYUOVTDOZ-NKKJXINNSA-N 1 1 484.689 3.620 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)cc3OC)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314243312 1069952392 /nfs/dbraw/zinc/95/23/92/1069952392.db2.gz KNBNGLOBOYXQPI-YADHBBJMSA-N 1 1 468.602 3.807 20 0 JHADMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC001314246629 1069963496 /nfs/dbraw/zinc/96/34/96/1069963496.db2.gz VMIMYVKKIUZGOF-LEWJYISDSA-N 1 1 458.651 3.512 20 0 JHADMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1(C)C ZINC001314246629 1069963508 /nfs/dbraw/zinc/96/35/08/1069963508.db2.gz VMIMYVKKIUZGOF-LEWJYISDSA-N 1 1 458.651 3.512 20 0 JHADMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1(C)C ZINC001314246629 1069963521 /nfs/dbraw/zinc/96/35/21/1069963521.db2.gz VMIMYVKKIUZGOF-LEWJYISDSA-N 1 1 458.651 3.512 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC001314246633 1069963831 /nfs/dbraw/zinc/96/38/31/1069963831.db2.gz VMIMYVKKIUZGOF-RTWAWAEBSA-N 1 1 458.651 3.512 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1(C)C ZINC001314246633 1069963847 /nfs/dbraw/zinc/96/38/47/1069963847.db2.gz VMIMYVKKIUZGOF-RTWAWAEBSA-N 1 1 458.651 3.512 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1(C)C ZINC001314246633 1069963860 /nfs/dbraw/zinc/96/38/60/1069963860.db2.gz VMIMYVKKIUZGOF-RTWAWAEBSA-N 1 1 458.651 3.512 20 0 JHADMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC001307363602 1069961375 /nfs/dbraw/zinc/96/13/75/1069961375.db2.gz IQUWPNOAAFBWMQ-QGZVFWFLSA-N 1 1 452.374 3.639 20 0 JHADMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC001307363602 1069961385 /nfs/dbraw/zinc/96/13/85/1069961385.db2.gz IQUWPNOAAFBWMQ-QGZVFWFLSA-N 1 1 452.374 3.639 20 0 JHADMO C[C@H](NC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001312479418 1069961355 /nfs/dbraw/zinc/96/13/55/1069961355.db2.gz KCXPBMQXJJIGLW-NNWRFLSQSA-N 1 1 458.622 3.907 20 0 JHADMO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2CCCn2cc[nH+]c2C)C1(C)C ZINC001314249182 1069972850 /nfs/dbraw/zinc/97/28/50/1069972850.db2.gz DZTPBPQZOZCQFT-WOJBJXKFSA-N 1 1 457.648 3.869 20 0 JHADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001312499867 1069975933 /nfs/dbraw/zinc/97/59/33/1069975933.db2.gz KZPSJCRBQNBZCD-BHIFYINESA-N 1 1 458.400 3.895 20 0 JHADMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307424510 1069977645 /nfs/dbraw/zinc/97/76/45/1069977645.db2.gz NMTDQYCZGCIYED-GGAORHGYSA-N 1 1 459.631 3.631 20 0 JHADMO O=C(NC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1)c1ccsc1 ZINC001307427731 1069979843 /nfs/dbraw/zinc/97/98/43/1069979843.db2.gz IDGNFVZAPAWEGO-SFHVURJKSA-N 1 1 453.486 3.646 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1(C)C ZINC001314251656 1069980352 /nfs/dbraw/zinc/98/03/52/1069980352.db2.gz PRYIQEQDNPNQEH-YADHBBJMSA-N 1 1 489.636 3.747 20 0 JHADMO CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1(C)C ZINC001314251656 1069980359 /nfs/dbraw/zinc/98/03/59/1069980359.db2.gz PRYIQEQDNPNQEH-YADHBBJMSA-N 1 1 489.636 3.747 20 0 JHADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC001307450163 1069990210 /nfs/dbraw/zinc/99/02/10/1069990210.db2.gz GHGDBIXCJLNLMR-LLGFUMIMSA-N 1 1 458.872 3.800 20 0 JHADMO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(C)Cc3nc4ccccc4s3)CC2)c(C)o1 ZINC001307449725 1069990461 /nfs/dbraw/zinc/99/04/61/1069990461.db2.gz DAJDRUMRGWPJLH-MRXNPFEDSA-N 1 1 454.596 3.747 20 0 JHADMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001307454243 1069994431 /nfs/dbraw/zinc/99/44/31/1069994431.db2.gz NVBICRYDXSSZFN-QVKFZJNVSA-N 1 1 454.958 3.502 20 0 JHADMO Cc1nc2sccn2c(=O)c1CC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC001307457621 1069996314 /nfs/dbraw/zinc/99/63/14/1069996314.db2.gz AMAZESSLDWGDNR-FQEVSTJZSA-N 1 1 451.592 3.910 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC001307479357 1070007864 /nfs/dbraw/zinc/00/78/64/1070007864.db2.gz OUYUVUOEQHQZAJ-SFHVURJKSA-N 1 1 457.596 3.547 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC001307479357 1070007850 /nfs/dbraw/zinc/00/78/50/1070007850.db2.gz OUYUVUOEQHQZAJ-SFHVURJKSA-N 1 1 457.596 3.547 20 0 JHADMO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001314263638 1070008333 /nfs/dbraw/zinc/00/83/33/1070008333.db2.gz BPVXGZZLGJEVBO-SJLPKXTDSA-N 1 1 467.456 3.782 20 0 JHADMO CC1CCN(Cc2csc(NC(=O)CN3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2)CC1 ZINC001307482161 1070009612 /nfs/dbraw/zinc/00/96/12/1070009612.db2.gz NGTRHKJBUHKDBQ-NRFANRHFSA-N 1 1 455.672 3.910 20 0 JHADMO 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 1070012121 /nfs/dbraw/zinc/01/21/21/1070012121.db2.gz KMXDTERJEDZJLG-UXGLMHHASA-N 1 1 477.694 3.692 20 0 JHADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC001307487052 1070013257 /nfs/dbraw/zinc/01/32/57/1070013257.db2.gz KIMWYKFEHGOSEX-QGZVFWFLSA-N 1 1 455.580 3.911 20 0 JHADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC001307487052 1070013265 /nfs/dbraw/zinc/01/32/65/1070013265.db2.gz KIMWYKFEHGOSEX-QGZVFWFLSA-N 1 1 455.580 3.911 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)C1CC1 ZINC001312559830 1070014403 /nfs/dbraw/zinc/01/44/03/1070014403.db2.gz QWAYBRDXXODRDG-HSZRJFAPSA-N 1 1 455.002 3.604 20 0 JHADMO CCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001314265842 1070014550 /nfs/dbraw/zinc/01/45/50/1070014550.db2.gz LJQRRFHRMONHSD-DNQXCXABSA-N 1 1 482.673 3.724 20 0 JHADMO CCO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001314265895 1070014682 /nfs/dbraw/zinc/01/46/82/1070014682.db2.gz POYCTUKZCHSRNS-WMLDXEAASA-N 1 1 451.413 3.524 20 0 JHADMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C12CCCCC2 ZINC001307503352 1070020934 /nfs/dbraw/zinc/02/09/34/1070020934.db2.gz MTAXRYVVZQETLH-FGZHOGPDSA-N 1 1 457.663 3.617 20 0 JHADMO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001307499866 1070019495 /nfs/dbraw/zinc/01/94/95/1070019495.db2.gz KIUBGWVOKJLMJR-GOSISDBHSA-N 1 1 459.472 3.763 20 0 JHADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001312573460 1070022520 /nfs/dbraw/zinc/02/25/20/1070022520.db2.gz JDWFADCWISNZCQ-HSZRJFAPSA-N 1 1 452.574 3.594 20 0 JHADMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC001307506394 1070023468 /nfs/dbraw/zinc/02/34/68/1070023468.db2.gz MVLNOHXVRVZTEN-OAQYLSRUSA-N 1 1 451.633 3.709 20 0 JHADMO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001307508083 1070024738 /nfs/dbraw/zinc/02/47/38/1070024738.db2.gz QUIGFVCCEDAUFA-HXUWFJFHSA-N 1 1 459.472 3.597 20 0 JHADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1NS(C)(=O)=O ZINC001312577784 1070025112 /nfs/dbraw/zinc/02/51/12/1070025112.db2.gz YHCXLLPPGCWSRX-XMSQKQJNSA-N 1 1 458.628 3.719 20 0 JHADMO O=C(CCc1ccccc1)N1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001307520190 1070032082 /nfs/dbraw/zinc/03/20/82/1070032082.db2.gz MBMYTOBISSCCER-HXUWFJFHSA-N 1 1 450.501 3.612 20 0 JHADMO NC(=O)C1([NH2+]CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CCCC1 ZINC001307533941 1070040054 /nfs/dbraw/zinc/04/00/54/1070040054.db2.gz WAODVDUOWHPKGV-UHFFFAOYSA-N 1 1 452.555 3.870 20 0 JHADMO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC001312604775 1070041062 /nfs/dbraw/zinc/04/10/62/1070041062.db2.gz XCNGULHIZSXOOW-OAQYLSRUSA-N 1 1 457.416 3.864 20 0 JHADMO CCO[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001314277440 1070037883 /nfs/dbraw/zinc/03/78/83/1070037883.db2.gz TZPYZGPOIMUVOO-FDFHNCONSA-N 1 1 490.693 3.882 20 0 JHADMO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C(C)C)C1 ZINC001314280531 1070044016 /nfs/dbraw/zinc/04/40/16/1070044016.db2.gz AZTVSAUEFCYPJB-UXHICEINSA-N 1 1 464.655 3.696 20 0 JHADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC001307544912 1070044166 /nfs/dbraw/zinc/04/41/66/1070044166.db2.gz SMVKLNCPZDGBOB-NRFANRHFSA-N 1 1 453.539 3.692 20 0 JHADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC001307544912 1070044179 /nfs/dbraw/zinc/04/41/79/1070044179.db2.gz SMVKLNCPZDGBOB-NRFANRHFSA-N 1 1 453.539 3.692 20 0 JHADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001307544268 1070044473 /nfs/dbraw/zinc/04/44/73/1070044473.db2.gz FLIKXGKLZYRHHA-FXAWDEMLSA-N 1 1 452.473 3.865 20 0 JHADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001307544268 1070044486 /nfs/dbraw/zinc/04/44/86/1070044486.db2.gz FLIKXGKLZYRHHA-FXAWDEMLSA-N 1 1 452.473 3.865 20 0 JHADMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1(CC)CC ZINC001307550655 1070047770 /nfs/dbraw/zinc/04/77/70/1070047770.db2.gz HXNDYJWPONFFDW-RBUKOAKNSA-N 1 1 457.446 3.953 20 0 JHADMO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001307555330 1070049927 /nfs/dbraw/zinc/04/99/27/1070049927.db2.gz QYBRGCOGALYGME-FQEVSTJZSA-N 1 1 452.530 3.867 20 0 JHADMO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001307555330 1070049940 /nfs/dbraw/zinc/04/99/40/1070049940.db2.gz QYBRGCOGALYGME-FQEVSTJZSA-N 1 1 452.530 3.867 20 0 JHADMO CCCCNC(=O)CC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001307558618 1070052345 /nfs/dbraw/zinc/05/23/45/1070052345.db2.gz DYSLCNIJQHBFNS-INIZCTEOSA-N 1 1 453.509 3.740 20 0 JHADMO C[C@@H](CCc1ccc(I)cc1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001312628313 1070051415 /nfs/dbraw/zinc/05/14/15/1070051415.db2.gz DKAPUKNBUOHFGD-HNAYVOBHSA-N 1 1 455.384 3.928 20 0 JHADMO 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 1070061082 /nfs/dbraw/zinc/06/10/82/1070061082.db2.gz MRADGZOHLWOHRW-HUTZZIEHSA-N 1 1 457.615 3.904 20 0 JHADMO CCN(CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)CC(F)(F)F ZINC001307572266 1070058164 /nfs/dbraw/zinc/05/81/64/1070058164.db2.gz VKRPCSQPGSXFAP-CQSZACIVSA-N 1 1 451.331 3.769 20 0 JHADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001307584482 1070063934 /nfs/dbraw/zinc/06/39/34/1070063934.db2.gz SPWRRQKXAVDZSI-RJHNZLOYSA-N 1 1 453.608 3.570 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001307585246 1070064409 /nfs/dbraw/zinc/06/44/09/1070064409.db2.gz KFEZWBLNOJCODT-NFBKMPQASA-N 1 1 452.599 3.963 20 0 JHADMO O=C(C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)N1CCN(c2ccccc2F)CC1 ZINC001307586711 1070065953 /nfs/dbraw/zinc/06/59/53/1070065953.db2.gz HWSDBPFJLRNLRG-XMMPIXPASA-N 1 1 453.583 3.772 20 0 JHADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)N1CCN(c2ccccc2F)CC1 ZINC001307586711 1070065957 /nfs/dbraw/zinc/06/59/57/1070065957.db2.gz HWSDBPFJLRNLRG-XMMPIXPASA-N 1 1 453.583 3.772 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)s2)cc1 ZINC001307589349 1070068909 /nfs/dbraw/zinc/06/89/09/1070068909.db2.gz MZCVKGUZYLCELE-ZWKOTPCHSA-N 1 1 451.596 3.894 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)s2)cc1 ZINC001307589349 1070068929 /nfs/dbraw/zinc/06/89/29/1070068929.db2.gz MZCVKGUZYLCELE-ZWKOTPCHSA-N 1 1 451.596 3.894 20 0 JHADMO COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001307597443 1070072299 /nfs/dbraw/zinc/07/22/99/1070072299.db2.gz HKZCWEJGRXCHGE-NRFANRHFSA-N 1 1 452.473 3.625 20 0 JHADMO CCn1c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001307607613 1070079462 /nfs/dbraw/zinc/07/94/62/1070079462.db2.gz LAIJOGVLOPLAES-UZUQRXQVSA-N 1 1 456.612 3.898 20 0 JHADMO CCn1c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001307607613 1070079480 /nfs/dbraw/zinc/07/94/80/1070079480.db2.gz LAIJOGVLOPLAES-UZUQRXQVSA-N 1 1 456.612 3.898 20 0 JHADMO CCn1c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001307607610 1070079533 /nfs/dbraw/zinc/07/95/33/1070079533.db2.gz LAIJOGVLOPLAES-GAJHUEQPSA-N 1 1 456.612 3.898 20 0 JHADMO CCn1c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001307607610 1070079550 /nfs/dbraw/zinc/07/95/50/1070079550.db2.gz LAIJOGVLOPLAES-GAJHUEQPSA-N 1 1 456.612 3.898 20 0 JHADMO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(OC)cc2Br)cc1 ZINC001307609868 1070079728 /nfs/dbraw/zinc/07/97/28/1070079728.db2.gz DFHMLUBEQFGURC-CYBMUJFWSA-N 1 1 450.333 3.603 20 0 JHADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC001307602456 1070076272 /nfs/dbraw/zinc/07/62/72/1070076272.db2.gz KFCRJDAQCLOXHF-HNNXBMFYSA-N 1 1 458.340 3.593 20 0 JHADMO CC(C)([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1Br ZINC001307611380 1070081563 /nfs/dbraw/zinc/08/15/63/1070081563.db2.gz OUOMQCFXIYSTGU-UHFFFAOYSA-N 1 1 459.793 3.969 20 0 JHADMO CCOCc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001314298230 1070081885 /nfs/dbraw/zinc/08/18/85/1070081885.db2.gz MEAURSWQWZZXDC-QORVUAJLSA-N 1 1 493.637 3.687 20 0 JHADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307622426 1070085373 /nfs/dbraw/zinc/08/53/73/1070085373.db2.gz PLNVGGQUTSSNRH-KRWDZBQOSA-N 1 1 453.591 3.981 20 0 JHADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307622426 1070085392 /nfs/dbraw/zinc/08/53/92/1070085392.db2.gz PLNVGGQUTSSNRH-KRWDZBQOSA-N 1 1 453.591 3.981 20 0 JHADMO CCOCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001314302086 1070086658 /nfs/dbraw/zinc/08/66/58/1070086658.db2.gz OBTOYXRJMCAUCU-KRWDZBQOSA-N 1 1 486.480 3.632 20 0 JHADMO O=C1CCCN1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC001307632822 1070092089 /nfs/dbraw/zinc/09/20/89/1070092089.db2.gz ZMFNNPHOLMYQHZ-IBGZPJMESA-N 1 1 458.477 3.572 20 0 JHADMO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(Br)c1 ZINC001307640065 1070095146 /nfs/dbraw/zinc/09/51/46/1070095146.db2.gz VCMFSYDAHROWFI-VBKZILBWSA-N 1 1 451.336 3.848 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314310020 1070097908 /nfs/dbraw/zinc/09/79/08/1070097908.db2.gz UXUWHXDMNWMSMZ-FDFHNCONSA-N 1 1 470.662 3.659 20 0 JHADMO COC(=O)c1sc2[nH]c(C[NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)nc(=O)c2c1C ZINC001307643313 1070098266 /nfs/dbraw/zinc/09/82/66/1070098266.db2.gz SRZWRJJCHZGDRX-LBPRGKRZSA-N 1 1 455.515 3.564 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)c1nc(C)cs1 ZINC001314310686 1070098469 /nfs/dbraw/zinc/09/84/69/1070098469.db2.gz QMNSZXYRHDOGTC-LQBOVUBWSA-N 1 1 486.690 3.636 20 0 JHADMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648950 1070100803 /nfs/dbraw/zinc/10/08/03/1070100803.db2.gz CVZPKKUHMXLDJC-AEFFLSMTSA-N 1 1 459.509 3.827 20 0 JHADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001312747216 1070101936 /nfs/dbraw/zinc/10/19/36/1070101936.db2.gz OLZISSMUUPJEOF-YOSAUDMPSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001312747216 1070101941 /nfs/dbraw/zinc/10/19/41/1070101941.db2.gz OLZISSMUUPJEOF-YOSAUDMPSA-N 1 1 452.574 3.794 20 0 JHADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001314317146 1070102213 /nfs/dbraw/zinc/10/22/13/1070102213.db2.gz JVLSRYBXZNFGFN-SCWSEQNSSA-N 1 1 485.526 3.593 20 0 JHADMO CCOCN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1c(C)cccc1CC ZINC001307651827 1070102707 /nfs/dbraw/zinc/10/27/07/1070102707.db2.gz LWFCNYVYFMLVLP-UHFFFAOYSA-N 1 1 453.583 3.941 20 0 JHADMO CCOCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314321389 1070106336 /nfs/dbraw/zinc/10/63/36/1070106336.db2.gz IYFDXIDCWNRTSZ-WSTZPKSXSA-N 1 1 469.552 3.881 20 0 JHADMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307663520 1070109846 /nfs/dbraw/zinc/10/98/46/1070109846.db2.gz ZPJPBJMCPNVMML-SFHVURJKSA-N 1 1 455.400 3.671 20 0 JHADMO CCOCc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001314333458 1070127941 /nfs/dbraw/zinc/12/79/41/1070127941.db2.gz CTKNLOJUBNJFOP-FPOVZHCZSA-N 1 1 478.682 3.819 20 0 JHADMO CCOCc1nnc(N2CCC(c3ccccc3CO)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001314337800 1070134024 /nfs/dbraw/zinc/13/40/24/1070134024.db2.gz GWFOMVDMYQEXQZ-HSZRJFAPSA-N 1 1 455.647 3.955 20 0 JHADMO CC[C@H](C[N@@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1 ZINC001307702349 1070135977 /nfs/dbraw/zinc/13/59/77/1070135977.db2.gz INRBOQBHIFZRKO-LJQANCHMSA-N 1 1 456.612 3.611 20 0 JHADMO CC(=O)N(c1nc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705077 1070136086 /nfs/dbraw/zinc/13/60/86/1070136086.db2.gz OZSOIVHTQFAELG-HUUCEWRRSA-N 1 1 456.534 3.733 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@@H](C)C1 ZINC001307705698 1070136784 /nfs/dbraw/zinc/13/67/84/1070136784.db2.gz BECOOKMFPRURPX-PXNSSMCTSA-N 1 1 455.628 3.957 20 0 JHADMO CCOCc1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001314340361 1070138027 /nfs/dbraw/zinc/13/80/27/1070138027.db2.gz PTJGRNIOJJLYEZ-GOSISDBHSA-N 1 1 470.540 3.699 20 0 JHADMO C[C@@H]1[C@H](NC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001312815627 1070138618 /nfs/dbraw/zinc/13/86/18/1070138618.db2.gz MLQRAXPCECRBMN-MAODMQOUSA-N 1 1 451.489 3.971 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314341479 1070141073 /nfs/dbraw/zinc/14/10/73/1070141073.db2.gz IJEMWUGGBWBYTM-UHFFFAOYSA-N 1 1 454.541 3.833 20 0 JHADMO 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CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001307730644 1070154104 /nfs/dbraw/zinc/15/41/04/1070154104.db2.gz SZDVHPFQIQDNFD-QAPCUYQASA-N 1 1 457.596 3.718 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001307730644 1070154112 /nfs/dbraw/zinc/15/41/12/1070154112.db2.gz SZDVHPFQIQDNFD-QAPCUYQASA-N 1 1 457.596 3.718 20 0 JHADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NCc1cccc(Br)c1Cl ZINC001312870872 1070160956 /nfs/dbraw/zinc/16/09/56/1070160956.db2.gz YPRABSHIUNWYAI-QGZVFWFLSA-N 1 1 452.780 3.669 20 0 JHADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC001312871440 1070161463 /nfs/dbraw/zinc/16/14/63/1070161463.db2.gz AOBPSSIECVVEMT-UHFFFAOYSA-N 1 1 456.052 3.931 20 0 JHADMO CCOCc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314348496 1070158280 /nfs/dbraw/zinc/15/82/80/1070158280.db2.gz FFYWITZAUATGKH-QFIPXVFZSA-N 1 1 487.664 3.896 20 0 JHADMO CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314348647 1070159021 /nfs/dbraw/zinc/15/90/21/1070159021.db2.gz DSYHOCUYMROUGK-CTNGQTDRSA-N 1 1 478.682 3.819 20 0 JHADMO CCOCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314349799 1070165183 /nfs/dbraw/zinc/16/51/83/1070165183.db2.gz PROZUYIRHSQGND-HXUWFJFHSA-N 1 1 486.661 3.829 20 0 JHADMO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001307752314 1070166666 /nfs/dbraw/zinc/16/66/66/1070166666.db2.gz GKMLOYSOXHFSPG-NFBKMPQASA-N 1 1 459.631 3.864 20 0 JHADMO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001307752314 1070166670 /nfs/dbraw/zinc/16/66/70/1070166670.db2.gz GKMLOYSOXHFSPG-NFBKMPQASA-N 1 1 459.631 3.864 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)C[C@@H](C)CC2 ZINC001307754374 1070167727 /nfs/dbraw/zinc/16/77/27/1070167727.db2.gz OAMFXVWGMJAJFP-GOPGUHFVSA-N 1 1 450.523 3.526 20 0 JHADMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772797 1070177045 /nfs/dbraw/zinc/17/70/45/1070177045.db2.gz IKLDHQLLNNWNCK-RBUKOAKNSA-N 1 1 459.587 3.771 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314353795 1070174716 /nfs/dbraw/zinc/17/47/16/1070174716.db2.gz CDSKLGFNMIQSFP-JOCHJYFZSA-N 1 1 457.619 3.515 20 0 JHADMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774213 1070178730 /nfs/dbraw/zinc/17/87/30/1070178730.db2.gz SOGNGNWAPBCGED-FDFHNCONSA-N 1 1 456.631 3.983 20 0 JHADMO CC1(C)Oc2ccsc2[C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)[C@H]1O ZINC001307790142 1070182830 /nfs/dbraw/zinc/18/28/30/1070182830.db2.gz BVNMXWZPIWIXOH-RBBKRZOGSA-N 1 1 451.548 3.802 20 0 JHADMO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314358822 1070181476 /nfs/dbraw/zinc/18/14/76/1070181476.db2.gz OFQAVHPEVXELLZ-QGZVFWFLSA-N 1 1 489.546 3.707 20 0 JHADMO 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 1070182694 /nfs/dbraw/zinc/18/26/94/1070182694.db2.gz BUMVFBRRCIOUDT-OUFMZXHOSA-N 1 1 473.658 3.835 20 0 JHADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001307797050 1070186197 /nfs/dbraw/zinc/18/61/97/1070186197.db2.gz UXHUDAFTVVVYFT-BCHFMIIMSA-N 1 1 450.583 3.692 20 0 JHADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001307797054 1070186215 /nfs/dbraw/zinc/18/62/15/1070186215.db2.gz UXHUDAFTVVVYFT-SIBVEZHUSA-N 1 1 450.583 3.692 20 0 JHADMO Cn1cc([C@H]([NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C2(CO)CCC2)cn1 ZINC001307799501 1070187023 /nfs/dbraw/zinc/18/70/23/1070187023.db2.gz CPKXMIFYLKYRDS-FPOVZHCZSA-N 1 1 451.398 3.884 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314362866 1070188267 /nfs/dbraw/zinc/18/82/67/1070188267.db2.gz AHLXBHLYEAGSSN-NJDAHSKKSA-N 1 1 486.627 3.790 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363321 1070188883 /nfs/dbraw/zinc/18/88/83/1070188883.db2.gz DCJCDUBFGWINHD-ICSRJNTNSA-N 1 1 478.588 3.950 20 0 JHADMO O=C(C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001307803295 1070189596 /nfs/dbraw/zinc/18/95/96/1070189596.db2.gz IQBXGQUKPOXXCX-HSZRJFAPSA-N 1 1 450.501 3.518 20 0 JHADMO O=C(C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001307803295 1070189604 /nfs/dbraw/zinc/18/96/04/1070189604.db2.gz IQBXGQUKPOXXCX-HSZRJFAPSA-N 1 1 450.501 3.518 20 0 JHADMO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)nc(=O)c2c1C ZINC001307819377 1070199330 /nfs/dbraw/zinc/19/93/30/1070199330.db2.gz QAKHJANJHGVUTN-FDQGKXFDSA-N 1 1 458.559 3.705 20 0 JHADMO CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001314373536 1070210942 /nfs/dbraw/zinc/21/09/42/1070210942.db2.gz BGUTWFRNNMFRBL-AABGKKOBSA-N 1 1 465.639 3.742 20 0 JHADMO CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001314373536 1070210952 /nfs/dbraw/zinc/21/09/52/1070210952.db2.gz BGUTWFRNNMFRBL-AABGKKOBSA-N 1 1 465.639 3.742 20 0 JHADMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1OC ZINC001307852953 1070211621 /nfs/dbraw/zinc/21/16/21/1070211621.db2.gz JEOYOGMYYNAYSY-JBACZVJFSA-N 1 1 456.583 3.701 20 0 JHADMO CS(=O)(=O)N(CC[N@H+]1CCC[C@H]1Cc1ccccc1Br)Cc1ccccc1 ZINC001307854190 1070212267 /nfs/dbraw/zinc/21/22/67/1070212267.db2.gz PUESZFXROLDDMI-FQEVSTJZSA-N 1 1 451.430 3.918 20 0 JHADMO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307861612 1070214877 /nfs/dbraw/zinc/21/48/77/1070214877.db2.gz YPSQOWMKLXGAIY-FGTMMUONSA-N 1 1 458.603 3.622 20 0 JHADMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307861612 1070214883 /nfs/dbraw/zinc/21/48/83/1070214883.db2.gz YPSQOWMKLXGAIY-FGTMMUONSA-N 1 1 458.603 3.622 20 0 JHADMO CC(C)[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307870439 1070218330 /nfs/dbraw/zinc/21/83/30/1070218330.db2.gz OWMKYKOODVMGKS-SANMLTNESA-N 1 1 452.618 3.849 20 0 JHADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC001307872282 1070217952 /nfs/dbraw/zinc/21/79/52/1070217952.db2.gz LZPZTZXAWMHWHJ-JOCHJYFZSA-N 1 1 451.498 3.738 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001314377177 1070218129 /nfs/dbraw/zinc/21/81/29/1070218129.db2.gz BPXDECXRBSQPFO-HSZRJFAPSA-N 1 1 458.626 3.711 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001314377177 1070218138 /nfs/dbraw/zinc/21/81/38/1070218138.db2.gz BPXDECXRBSQPFO-HSZRJFAPSA-N 1 1 458.626 3.711 20 0 JHADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC001307878682 1070220367 /nfs/dbraw/zinc/22/03/67/1070220367.db2.gz VPQKJNGPVUWXFK-UHFFFAOYSA-N 1 1 456.587 3.640 20 0 JHADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001307879277 1070220777 /nfs/dbraw/zinc/22/07/77/1070220777.db2.gz JAKGIPAFLBLIQT-OAHLLOKOSA-N 1 1 453.568 3.835 20 0 JHADMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccc(Cl)cc1 ZINC001307881772 1070222322 /nfs/dbraw/zinc/22/23/22/1070222322.db2.gz CLEHMUHVEIAHKQ-TUNNFDKTSA-N 1 1 462.924 3.998 20 0 JHADMO C[N@H+]1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001313027958 1070225818 /nfs/dbraw/zinc/22/58/18/1070225818.db2.gz WYXYRIOTECIBKZ-IEBWSBKVSA-N 1 1 456.450 3.829 20 0 JHADMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893423 1070228355 /nfs/dbraw/zinc/22/83/55/1070228355.db2.gz GSOUGZYSWJSOBW-YJBOKZPZSA-N 1 1 452.304 3.657 20 0 JHADMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893423 1070228364 /nfs/dbraw/zinc/22/83/64/1070228364.db2.gz GSOUGZYSWJSOBW-YJBOKZPZSA-N 1 1 452.304 3.657 20 0 JHADMO CC(C)(C)OC(=O)NCCC1CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC001307892500 1070228531 /nfs/dbraw/zinc/22/85/31/1070228531.db2.gz IFALYLOUDBAVCH-OAQYLSRUSA-N 1 1 458.628 3.976 20 0 JHADMO CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1OC ZINC001307906213 1070233242 /nfs/dbraw/zinc/23/32/42/1070233242.db2.gz BSETVFTWSREDDJ-ZWOKBUDYSA-N 1 1 456.587 3.732 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314384397 1070228663 /nfs/dbraw/zinc/22/86/63/1070228663.db2.gz OHICCMZMUMMYSI-UHFFFAOYSA-N 1 1 474.694 3.556 20 0 JHADMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001313036147 1070229539 /nfs/dbraw/zinc/22/95/39/1070229539.db2.gz FAHFYAFOYHIYQQ-KRWDZBQOSA-N 1 1 453.414 3.868 20 0 JHADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C2 ZINC001307904110 1070232573 /nfs/dbraw/zinc/23/25/73/1070232573.db2.gz KXWAAXGYJHCUTE-OWHZGTRUSA-N 1 1 470.639 3.976 20 0 JHADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C2 ZINC001307904110 1070232587 /nfs/dbraw/zinc/23/25/87/1070232587.db2.gz KXWAAXGYJHCUTE-OWHZGTRUSA-N 1 1 470.639 3.976 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)s2)cc1 ZINC001307908071 1070234238 /nfs/dbraw/zinc/23/42/38/1070234238.db2.gz AZCNHVFKDFDKNX-HXUWFJFHSA-N 1 1 451.596 3.548 20 0 JHADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054455 1070237215 /nfs/dbraw/zinc/23/72/15/1070237215.db2.gz KWHIIEAWOOLKCJ-REWPJTCUSA-N 1 1 457.663 3.719 20 0 JHADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054455 1070237229 /nfs/dbraw/zinc/23/72/29/1070237229.db2.gz KWHIIEAWOOLKCJ-REWPJTCUSA-N 1 1 457.663 3.719 20 0 JHADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054454 1070237441 /nfs/dbraw/zinc/23/74/41/1070237441.db2.gz KWHIIEAWOOLKCJ-OFNKIYASSA-N 1 1 457.663 3.719 20 0 JHADMO 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CCC[N@H+]1CCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CCSC ZINC001313451465 1070379042 /nfs/dbraw/zinc/37/90/42/1070379042.db2.gz YLXQFAXZPCHZOH-OALUTQOASA-N 1 1 483.686 3.644 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(C)C ZINC001313451277 1070379261 /nfs/dbraw/zinc/37/92/61/1070379261.db2.gz WILVKJRNCQAXJR-IBGZPJMESA-N 1 1 461.680 3.595 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313452201 1070382179 /nfs/dbraw/zinc/38/21/79/1070382179.db2.gz IJFCKNJAHQHOPW-QHCPKHFHSA-N 1 1 498.672 3.667 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1C(C)(C)C ZINC001313454013 1070387824 /nfs/dbraw/zinc/38/78/24/1070387824.db2.gz ZPQXZSXLKZMYBX-QHCPKHFHSA-N 1 1 466.674 3.650 20 0 JHADMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308591052 1070396893 /nfs/dbraw/zinc/39/68/93/1070396893.db2.gz FJSPUGRGVXVYIZ-FQEVSTJZSA-N 1 1 455.397 3.752 20 0 JHADMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308591052 1070396908 /nfs/dbraw/zinc/39/69/08/1070396908.db2.gz FJSPUGRGVXVYIZ-FQEVSTJZSA-N 1 1 455.397 3.752 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001308602444 1070398826 /nfs/dbraw/zinc/39/88/26/1070398826.db2.gz BBLGSHQTCHFVRK-WBAXXEDZSA-N 1 1 451.361 3.644 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001308602444 1070398840 /nfs/dbraw/zinc/39/88/40/1070398840.db2.gz BBLGSHQTCHFVRK-WBAXXEDZSA-N 1 1 451.361 3.644 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001308603062 1070399741 /nfs/dbraw/zinc/39/97/41/1070399741.db2.gz FPPSWWLUWZYTPV-DYESRHJHSA-N 1 1 451.558 3.735 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)CCO3)C[C@@H]1CC ZINC001314494161 1070409897 /nfs/dbraw/zinc/40/98/97/1070409897.db2.gz NUQHSCKPPZAXSK-QFIPXVFZSA-N 1 1 455.647 3.690 20 0 JHADMO CN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308663704 1070413351 /nfs/dbraw/zinc/41/33/51/1070413351.db2.gz STYQGIPFDDHSDZ-FCHUYYIVSA-N 1 1 454.619 3.556 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1CC ZINC001314495372 1070413505 /nfs/dbraw/zinc/41/35/05/1070413505.db2.gz XGSYJMPKBWZXIQ-OAHLLOKOSA-N 1 1 460.570 3.862 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001314495718 1070415304 /nfs/dbraw/zinc/41/53/04/1070415304.db2.gz AZOIJCUTJPYTGP-ZJSXRUAMSA-N 1 1 499.647 3.693 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnc(C)s2)C[C@@H]1CC ZINC001314496968 1070419733 /nfs/dbraw/zinc/41/97/33/1070419733.db2.gz PHTDJCZNNHUJJV-IBGZPJMESA-N 1 1 476.050 3.744 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)C[C@@H]1CC ZINC001314497543 1070420380 /nfs/dbraw/zinc/42/03/80/1070420380.db2.gz ARQOALHFYAZVTF-QHCPKHFHSA-N 1 1 483.636 3.573 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)c2ccccc2F)CC1 ZINC001314497434 1070420532 /nfs/dbraw/zinc/42/05/32/1070420532.db2.gz XXGIWNOXMHIJAF-UHFFFAOYSA-N 1 1 452.578 3.616 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314497569 1070421340 /nfs/dbraw/zinc/42/13/40/1070421340.db2.gz BBQYVGBHDYIRDK-YADHBBJMSA-N 1 1 489.734 3.609 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)CCCS2)CC1 ZINC001314498478 1070423929 /nfs/dbraw/zinc/42/39/29/1070423929.db2.gz ORRDENFZIAIAOC-RUZDIDTESA-N 1 1 473.687 3.918 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCSC2)CC1 ZINC001314498502 1070424662 /nfs/dbraw/zinc/42/46/62/1070424662.db2.gz PTUUJHKPOBBTRJ-QFIPXVFZSA-N 1 1 473.687 3.776 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cc(C)no2)CC1 ZINC001314498857 1070425760 /nfs/dbraw/zinc/42/57/60/1070425760.db2.gz SUKIDCCTOQFNLI-UHFFFAOYSA-N 1 1 477.034 3.727 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001313463775 1070425909 /nfs/dbraw/zinc/42/59/09/1070425909.db2.gz QRLWUVVDUVLLJZ-HSZRJFAPSA-N 1 1 452.647 3.787 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001314499893 1070428750 /nfs/dbraw/zinc/42/87/50/1070428750.db2.gz RGCSLKHFJSYAFF-FQEVSTJZSA-N 1 1 478.682 3.597 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)CC1 ZINC001314500158 1070429655 /nfs/dbraw/zinc/42/96/55/1070429655.db2.gz ROZJEEGDBMBBJK-UHFFFAOYSA-N 1 1 499.457 3.542 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2ccccc2F)C[C@H]1CC ZINC001314500303 1070429777 /nfs/dbraw/zinc/42/97/77/1070429777.db2.gz IPIZPJMNOYVWAE-LEWJYISDSA-N 1 1 473.637 3.836 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC=CO2)C[C@@H]1CC ZINC001314500107 1070429876 /nfs/dbraw/zinc/42/98/76/1070429876.db2.gz QPQYOCBFUTZESQ-GOTSBHOMSA-N 1 1 457.594 3.638 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1CC ZINC001314500338 1070430600 /nfs/dbraw/zinc/43/06/00/1070430600.db2.gz UDFJBCYXLMWIEG-NRFANRHFSA-N 1 1 481.645 3.535 20 0 JHADMO CNS(=O)(=O)C1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001308791166 1070438026 /nfs/dbraw/zinc/43/80/26/1070438026.db2.gz XKQRRWYILIUKPY-UHFFFAOYSA-N 1 1 458.559 3.626 20 0 JHADMO CCn1c(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)nc(Br)c1Br ZINC001308777806 1070436602 /nfs/dbraw/zinc/43/66/02/1070436602.db2.gz ONKQECIQTOZSIL-UWVGGRQHSA-N 1 1 454.207 3.819 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001313466867 1070441205 /nfs/dbraw/zinc/44/12/05/1070441205.db2.gz NWVIWOIRFYFDOJ-NRFANRHFSA-N 1 1 452.647 3.871 20 0 JHADMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)c1 ZINC001308811999 1070441916 /nfs/dbraw/zinc/44/19/16/1070441916.db2.gz SBSLVANDHBMMOD-UHFFFAOYSA-N 1 1 454.527 3.854 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H]1c1ccc(O)cc1 ZINC001308887677 1070455095 /nfs/dbraw/zinc/45/50/95/1070455095.db2.gz 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CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001313905957 1071522927 /nfs/dbraw/zinc/52/29/27/1071522927.db2.gz WMUCMNBLYPDASE-TZIWHRDSSA-N 1 1 466.655 3.994 20 0 JHADMO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315002413 1071526988 /nfs/dbraw/zinc/52/69/88/1071526988.db2.gz ZNBWCWFNQHPSJI-SZPZYZBQSA-N 1 1 496.700 3.884 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313907253 1071527428 /nfs/dbraw/zinc/52/74/28/1071527428.db2.gz ZZGBRQZDPOFEFY-CQSZACIVSA-N 1 1 484.489 3.612 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313907251 1071527622 /nfs/dbraw/zinc/52/76/22/1071527622.db2.gz ZZGBRQZDPOFEFY-AWEZNQCLSA-N 1 1 484.489 3.612 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313907650 1071528154 /nfs/dbraw/zinc/52/81/54/1071528154.db2.gz JKISFLVLAYPQGU-HXUWFJFHSA-N 1 1 489.064 3.963 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313910569 1071535781 /nfs/dbraw/zinc/53/57/81/1071535781.db2.gz WZFOKRLCRADJLB-CVEARBPZSA-N 1 1 495.491 3.735 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313910834 1071537129 /nfs/dbraw/zinc/53/71/29/1071537129.db2.gz ZQRMPFWKFIJEBO-LADGPHEKSA-N 1 1 466.674 3.631 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313910835 1071537155 /nfs/dbraw/zinc/53/71/55/1071537155.db2.gz ZQRMPFWKFIJEBO-UPVQGACJSA-N 1 1 466.674 3.631 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911000 1071537176 /nfs/dbraw/zinc/53/71/76/1071537176.db2.gz XVGWFVNPGVQHFX-HXUWFJFHSA-N 1 1 463.630 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001313911064 1071537206 /nfs/dbraw/zinc/53/72/06/1071537206.db2.gz ZDRSFFGLYYIIIH-LJQANCHMSA-N 1 1 491.478 3.851 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313911544 1071537559 /nfs/dbraw/zinc/53/75/59/1071537559.db2.gz CVJJHUHSYSTKHA-CPJSRVTESA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912113 1071538484 /nfs/dbraw/zinc/53/84/84/1071538484.db2.gz MMKORZHCSVHQTG-FGZHOGPDSA-N 1 1 468.646 3.657 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001315021038 1071542116 /nfs/dbraw/zinc/54/21/16/1071542116.db2.gz KMVKYZVPKVIZSZ-UHFFFAOYSA-N 1 1 477.440 3.866 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001313912702 1071540603 /nfs/dbraw/zinc/54/06/03/1071540603.db2.gz WVGQGPJGGNEZGR-FQEVSTJZSA-N 1 1 453.566 3.654 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313911034 1071537048 /nfs/dbraw/zinc/53/70/48/1071537048.db2.gz YOQWNCBVYZCCEE-HXUWFJFHSA-N 1 1 459.660 3.531 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313913318 1071542890 /nfs/dbraw/zinc/54/28/90/1071542890.db2.gz XBAFDCOZRXXXJZ-TZIWHRDSSA-N 1 1 469.634 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913471 1071543570 /nfs/dbraw/zinc/54/35/70/1071543570.db2.gz POXJUBHCCVHDMW-VXKWHMMOSA-N 1 1 454.619 3.777 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313914809 1071548635 /nfs/dbraw/zinc/54/86/35/1071548635.db2.gz NZLHNTSJVYLADE-YTFSRNRJSA-N 1 1 482.673 3.806 20 0 JHADMO 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 1071552669 /nfs/dbraw/zinc/55/26/69/1071552669.db2.gz WJVFVBQUDVIIFI-FNAHDJPLSA-N 1 1 490.693 3.786 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCc3ccc(Br)cc3C2)CC1 ZINC001313920760 1071559334 /nfs/dbraw/zinc/55/93/34/1071559334.db2.gz MGYQJPFYQGXFQC-GOSISDBHSA-N 1 1 475.479 3.753 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001313919833 1071558292 /nfs/dbraw/zinc/55/82/92/1071558292.db2.gz GONNRWHCWNAIFS-MRXNPFEDSA-N 1 1 469.497 3.888 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315031448 1071560938 /nfs/dbraw/zinc/56/09/38/1071560938.db2.gz MYIWSDGKYXLAOE-SFHVURJKSA-N 1 1 491.478 3.648 20 0 JHADMO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921547 1071561885 /nfs/dbraw/zinc/56/18/85/1071561885.db2.gz ORHDQZCIDNMGOD-QFIPXVFZSA-N 1 1 482.673 3.735 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001315032722 1071563193 /nfs/dbraw/zinc/56/31/93/1071563193.db2.gz LAWFMSOVRQPKLT-OALUTQOASA-N 1 1 491.036 3.845 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001315032722 1071563200 /nfs/dbraw/zinc/56/32/00/1071563200.db2.gz LAWFMSOVRQPKLT-OALUTQOASA-N 1 1 491.036 3.845 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313922335 1071563923 /nfs/dbraw/zinc/56/39/23/1071563923.db2.gz VTIHYPMTPPHSEK-LEWJYISDSA-N 1 1 470.662 3.615 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(C)CCCS3)CC2)CC1 ZINC001313923182 1071566229 /nfs/dbraw/zinc/56/62/29/1071566229.db2.gz IQGAQESSPRCBTE-AREMUKBSSA-N 1 1 490.762 3.923 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[C@@H]3C)CC2)CC1 ZINC001313923820 1071568007 /nfs/dbraw/zinc/56/80/07/1071568007.db2.gz UQQWWJCTKJHEKN-UNMCSNQZSA-N 1 1 458.695 3.782 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313923927 1071568680 /nfs/dbraw/zinc/56/86/80/1071568680.db2.gz BBEMCZAZJKPIDN-TZIWHRDSSA-N 1 1 458.651 3.656 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313924622 1071570826 /nfs/dbraw/zinc/57/08/26/1071570826.db2.gz HMSYFCIFDMALIW-GOSISDBHSA-N 1 1 478.563 3.679 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313924590 1071570947 /nfs/dbraw/zinc/57/09/47/1071570947.db2.gz HAQBOBYDMCUCPU-KRWDZBQOSA-N 1 1 460.051 3.717 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313925245 1071572627 /nfs/dbraw/zinc/57/26/27/1071572627.db2.gz OCNJSJNVQKWAGI-SFHVURJKSA-N 1 1 486.462 3.698 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cccs2)CC1 ZINC001313926771 1071577447 /nfs/dbraw/zinc/57/74/47/1071577447.db2.gz XYJBXJBCRBYNKG-IBGZPJMESA-N 1 1 454.644 3.678 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313926751 1071577496 /nfs/dbraw/zinc/57/74/96/1071577496.db2.gz GEVMYQNKLKYZST-IBGZPJMESA-N 1 1 490.643 3.928 20 0 JHADMO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001313926762 1071577609 /nfs/dbraw/zinc/57/76/09/1071577609.db2.gz XVYNYLRZTZHKRE-MRXNPFEDSA-N 1 1 467.431 3.719 20 0 JHADMO CNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001315051660 1071578975 /nfs/dbraw/zinc/57/89/75/1071578975.db2.gz DMAHLTFVIHXUOM-UHFFFAOYSA-N 1 1 482.673 3.745 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313927217 1071579327 /nfs/dbraw/zinc/57/93/27/1071579327.db2.gz INCTYDYICQNZPE-YADHBBJMSA-N 1 1 491.725 3.858 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927719 1071581292 /nfs/dbraw/zinc/58/12/92/1071581292.db2.gz JUAOKIBDSLSTOO-FYYLOGMGSA-N 1 1 461.658 3.914 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927862 1071582101 /nfs/dbraw/zinc/58/21/01/1071582101.db2.gz PKRCZOXRBBYQGN-SSGKUCQKSA-N 1 1 492.778 3.945 20 0 JHADMO CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928339 1071583718 /nfs/dbraw/zinc/58/37/18/1071583718.db2.gz ATMREGRGCPORSY-NFBKMPQASA-N 1 1 454.663 3.952 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315074663 1071587124 /nfs/dbraw/zinc/58/71/24/1071587124.db2.gz RKFGVOZSHIJWJF-ZVDOUQERSA-N 1 1 457.619 3.994 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930095 1071588126 /nfs/dbraw/zinc/58/81/26/1071588126.db2.gz VBECXUWHJOHEBT-SFHVURJKSA-N 1 1 488.105 3.950 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)C[C@@H]1C ZINC001313930273 1071588887 /nfs/dbraw/zinc/58/88/87/1071588887.db2.gz BABWSQYUOMWAGI-KRWDZBQOSA-N 1 1 479.467 3.926 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001313930359 1071589402 /nfs/dbraw/zinc/58/94/02/1071589402.db2.gz LZABFIKSFXXSPM-MOPGFXCFSA-N 1 1 472.609 3.537 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313930360 1071589563 /nfs/dbraw/zinc/58/95/63/1071589563.db2.gz LZABFIKSFXXSPM-OALUTQOASA-N 1 1 472.609 3.537 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930615 1071589973 /nfs/dbraw/zinc/58/99/73/1071589973.db2.gz WCRVSNJUQJPQNK-GOSISDBHSA-N 1 1 458.701 3.963 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@H]1C ZINC001313930883 1071590387 /nfs/dbraw/zinc/59/03/87/1071590387.db2.gz CZUWPWRBOXDNEG-CJFMBICVSA-N 1 1 473.687 3.760 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001313931422 1071591840 /nfs/dbraw/zinc/59/18/40/1071591840.db2.gz UBWNCIFDQMGHJG-JOCHJYFZSA-N 1 1 464.662 3.639 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001313931886 1071593529 /nfs/dbraw/zinc/59/35/29/1071593529.db2.gz SRFKFUCSHCMOJW-QZTJIDSGSA-N 1 1 464.680 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313932020 1071595023 /nfs/dbraw/zinc/59/50/23/1071595023.db2.gz GZKPOKIBUPLBMS-GOSISDBHSA-N 1 1 471.005 3.850 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596553 /nfs/dbraw/zinc/59/65/53/1071596553.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596561 /nfs/dbraw/zinc/59/65/61/1071596561.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2C)C[C@@H]1C ZINC001313933636 1071598458 /nfs/dbraw/zinc/59/84/58/1071598458.db2.gz LZHQAOLCMWCIOS-KRWDZBQOSA-N 1 1 473.419 3.954 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313934111 1071601079 /nfs/dbraw/zinc/60/10/79/1071601079.db2.gz OLYDBCFDQLBRBJ-CLOONOSVSA-N 1 1 482.654 3.647 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313935094 1071604628 /nfs/dbraw/zinc/60/46/28/1071604628.db2.gz WGFWQZIHRWZYEN-CQSZACIVSA-N 1 1 480.361 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313936822 1071609592 /nfs/dbraw/zinc/60/95/92/1071609592.db2.gz QJPPHQWNQRPEMY-KRWDZBQOSA-N 1 1 490.530 3.977 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313935784 1071606595 /nfs/dbraw/zinc/60/65/95/1071606595.db2.gz YQYPZHHJQYOWQL-HRAATJIYSA-N 1 1 498.491 3.721 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313936655 1071609036 /nfs/dbraw/zinc/60/90/36/1071609036.db2.gz HJOOMXFDFYSLTP-FPOVZHCZSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313938685 1071612184 /nfs/dbraw/zinc/61/21/84/1071612184.db2.gz WHHAZLARMCEZEL-VQIMIIECSA-N 1 1 464.010 3.769 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCOCC2)C[C@@H]1C ZINC001313938308 1071612203 /nfs/dbraw/zinc/61/22/03/1071612203.db2.gz ZBEMFYVWMDNMDV-IBGZPJMESA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313940234 1071614083 /nfs/dbraw/zinc/61/40/83/1071614083.db2.gz KTMIHFSHOGPEHJ-OAQYLSRUSA-N 1 1 455.647 3.923 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001313941185 1071616173 /nfs/dbraw/zinc/61/61/73/1071616173.db2.gz AHKXHYQDZIOAEB-OAQYLSRUSA-N 1 1 463.630 3.514 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313941495 1071617496 /nfs/dbraw/zinc/61/74/96/1071617496.db2.gz VMQMPWOZSIHDTA-QZTJIDSGSA-N 1 1 470.643 3.640 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313941433 1071617677 /nfs/dbraw/zinc/61/76/77/1071617677.db2.gz CXOKBCWUTNMKJW-QFIPXVFZSA-N 1 1 498.716 3.796 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941960 1071618857 /nfs/dbraw/zinc/61/88/57/1071618857.db2.gz FRWJCEXUQUAEFV-HJOGWXRNSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941960 1071618863 /nfs/dbraw/zinc/61/88/63/1071618863.db2.gz FRWJCEXUQUAEFV-HJOGWXRNSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)C[C@@H]1C ZINC001313942476 1071620340 /nfs/dbraw/zinc/62/03/40/1071620340.db2.gz IAXMEVIEXDVRQB-CMKODMSKSA-N 1 1 474.675 3.997 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942574 1071620735 /nfs/dbraw/zinc/62/07/35/1071620735.db2.gz KDPGHUBCFULOOW-AZUAARDMSA-N 1 1 469.552 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942817 1071621403 /nfs/dbraw/zinc/62/14/03/1071621403.db2.gz OHPUYTWJKAXMAV-WOJBJXKFSA-N 1 1 472.634 3.609 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945618 1071626782 /nfs/dbraw/zinc/62/67/82/1071626782.db2.gz RSPVFJUVFRSSFN-SFHVURJKSA-N 1 1 478.483 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313943999 1071624459 /nfs/dbraw/zinc/62/44/59/1071624459.db2.gz XVCUSTIOQJEZMC-OAQYLSRUSA-N 1 1 480.661 3.581 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944278 1071624565 /nfs/dbraw/zinc/62/45/65/1071624565.db2.gz ZHIAUWLCDZHEJG-GMAHTHKFSA-N 1 1 454.663 3.505 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944327 1071624590 /nfs/dbraw/zinc/62/45/90/1071624590.db2.gz AXIZBAKIGQUQCH-DEOSSOPVSA-N 1 1 468.690 3.621 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313946156 1071627949 /nfs/dbraw/zinc/62/79/49/1071627949.db2.gz OWIKWQFUJFVDGY-HNNXBMFYSA-N 1 1 465.549 3.512 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944929 1071625716 /nfs/dbraw/zinc/62/57/16/1071625716.db2.gz JRCDWOLXQAZITF-PZJWPPBQSA-N 1 1 460.692 3.840 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313946696 1071629226 /nfs/dbraw/zinc/62/92/26/1071629226.db2.gz TZOZGOIPQPOCOB-DNVJHFABSA-N 1 1 468.690 3.776 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629845 /nfs/dbraw/zinc/62/98/45/1071629845.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 1 1 484.689 3.764 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629850 /nfs/dbraw/zinc/62/98/50/1071629850.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 1 1 484.689 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC001313947427 1071631660 /nfs/dbraw/zinc/63/16/60/1071631660.db2.gz HCIFTFBFNFHNOW-ZWKOTPCHSA-N 1 1 486.642 3.608 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCSC)C2)CC1 ZINC001313947852 1071632709 /nfs/dbraw/zinc/63/27/09/1071632709.db2.gz CXZPKAIKWKSOOZ-BHDDXSALSA-N 1 1 478.751 3.556 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313950747 1071639386 /nfs/dbraw/zinc/63/93/86/1071639386.db2.gz QNLRGTORTACJIJ-LEWJYISDSA-N 1 1 475.081 3.735 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(F)ccc3SC)C2)CC1 ZINC001313949496 1071636459 /nfs/dbraw/zinc/63/64/59/1071636459.db2.gz YUCSKCPQDGWXJE-NRFANRHFSA-N 1 1 474.694 3.992 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949793 1071636833 /nfs/dbraw/zinc/63/68/33/1071636833.db2.gz JYPYDEYLILPALK-IBGZPJMESA-N 1 1 453.660 3.620 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313950040 1071637565 /nfs/dbraw/zinc/63/75/65/1071637565.db2.gz MBPHEARBMMMCES-FQEVSTJZSA-N 1 1 468.671 3.925 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951315 1071641873 /nfs/dbraw/zinc/64/18/73/1071641873.db2.gz FPXRJBTVMSGXOG-FQEVSTJZSA-N 1 1 470.637 3.816 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313951418 1071642314 /nfs/dbraw/zinc/64/23/14/1071642314.db2.gz TYICZGNMZPLALO-LJQANCHMSA-N 1 1 492.590 3.567 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951661 1071643077 /nfs/dbraw/zinc/64/30/77/1071643077.db2.gz ATYMSHGLTRXPFH-FCHUYYIVSA-N 1 1 458.695 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313952045 1071643820 /nfs/dbraw/zinc/64/38/20/1071643820.db2.gz XHMOHPOCJFXDIP-PMACEKPBSA-N 1 1 475.081 3.876 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952148 1071644531 /nfs/dbraw/zinc/64/45/31/1071644531.db2.gz NQNOVJOLTPLPMU-UYAOXDASSA-N 1 1 452.638 3.721 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313952442 1071645770 /nfs/dbraw/zinc/64/57/70/1071645770.db2.gz QEDBXBJZVCWPCD-VABKMULXSA-N 1 1 484.689 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313952581 1071645831 /nfs/dbraw/zinc/64/58/31/1071645831.db2.gz GPLDUGCHIFYMEC-FQEVSTJZSA-N 1 1 470.065 3.847 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952694 1071646461 /nfs/dbraw/zinc/64/64/61/1071646461.db2.gz UBUJEXVHFNAAES-URXFXBBRSA-N 1 1 472.653 3.895 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313952906 1071647220 /nfs/dbraw/zinc/64/72/20/1071647220.db2.gz UVVNRCJCNSHZDK-SFTDATJTSA-N 1 1 491.080 3.714 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954251 1071650523 /nfs/dbraw/zinc/65/05/23/1071650523.db2.gz MNBIMWHTIGEXQH-JAXLGGSGSA-N 1 1 490.643 3.921 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313954214 1071650605 /nfs/dbraw/zinc/65/06/05/1071650605.db2.gz OUIJUAAUVZZJHZ-HSZRJFAPSA-N 1 1 453.679 3.554 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313954895 1071653629 /nfs/dbraw/zinc/65/36/29/1071653629.db2.gz WPBQNKGKCRMQDO-QHCPKHFHSA-N 1 1 486.730 3.833 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313955228 1071654904 /nfs/dbraw/zinc/65/49/04/1071654904.db2.gz ZABKOSGPNONREM-KNQAVFIVSA-N 1 1 463.045 3.734 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313956213 1071657575 /nfs/dbraw/zinc/65/75/75/1071657575.db2.gz XTNXRSNGPGXWQU-XZOQPEGZSA-N 1 1 461.658 3.854 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313958185 1071663008 /nfs/dbraw/zinc/66/30/08/1071663008.db2.gz PFITWSFESVPCET-HXUWFJFHSA-N 1 1 451.594 3.704 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957283 1071660066 /nfs/dbraw/zinc/66/00/66/1071660066.db2.gz QMCGXUGWEGCSST-QHCPKHFHSA-N 1 1 481.733 3.775 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313957823 1071661110 /nfs/dbraw/zinc/66/11/10/1071661110.db2.gz JSQZABUJYDSLPI-LJQANCHMSA-N 1 1 491.080 3.638 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313958173 1071662978 /nfs/dbraw/zinc/66/29/78/1071662978.db2.gz VBOMLLPFSHRLLH-HJOGWXRNSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313958051 1071663107 /nfs/dbraw/zinc/66/31/07/1071663107.db2.gz NYZYFYOMFDNGKO-NRFANRHFSA-N 1 1 480.579 3.520 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC2(C)C)CC1 ZINC001313958108 1071663161 /nfs/dbraw/zinc/66/31/61/1071663161.db2.gz UCKOSGKRIKVKCZ-QFIPXVFZSA-N 1 1 468.690 3.724 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)CC1 ZINC001313958330 1071663535 /nfs/dbraw/zinc/66/35/35/1071663535.db2.gz ALAUYIMZBPKOOW-QFIPXVFZSA-N 1 1 489.709 3.614 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960108 1071668557 /nfs/dbraw/zinc/66/85/57/1071668557.db2.gz DQNYXNHPPDPXCP-QHCPKHFHSA-N 1 1 498.716 3.797 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958833 1071665105 /nfs/dbraw/zinc/66/51/05/1071665105.db2.gz YGUMXVDQCFRRPF-RDGATRHJSA-N 1 1 498.716 3.609 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313959818 1071667593 /nfs/dbraw/zinc/66/75/93/1071667593.db2.gz BBGNYIHNXCWNFF-FQEVSTJZSA-N 1 1 491.080 3.542 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313961016 1071671782 /nfs/dbraw/zinc/67/17/82/1071671782.db2.gz OQMULJHKKDNAOI-XZOQPEGZSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313961620 1071673429 /nfs/dbraw/zinc/67/34/29/1071673429.db2.gz VKHURIOHDSIEQW-UHFFFAOYSA-N 1 1 454.594 3.573 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313963188 1071677121 /nfs/dbraw/zinc/67/71/21/1071677121.db2.gz KSEUMFGCXOSKFI-FCHUYYIVSA-N 1 1 452.647 3.657 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313976672 1071709019 /nfs/dbraw/zinc/70/90/19/1071709019.db2.gz HPJJVTBTCOFHEO-AKIFATBCSA-N 1 1 482.673 3.781 20 0 JHADMO CCNC(=O)C1(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCC1 ZINC001313978581 1071712556 /nfs/dbraw/zinc/71/25/56/1071712556.db2.gz NDEVKSWFVAXDSC-LJQANCHMSA-N 1 1 458.676 3.728 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313993441 1071727779 /nfs/dbraw/zinc/72/77/79/1071727779.db2.gz HLUXEQYPIOHZRR-GOSISDBHSA-N 1 1 492.043 3.854 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314013919 1071752563 /nfs/dbraw/zinc/75/25/63/1071752563.db2.gz LRNJLAONVLTCQZ-NRFANRHFSA-N 1 1 483.661 3.765 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2cc[nH+]c2C)CC1 ZINC001314016888 1071761616 /nfs/dbraw/zinc/76/16/16/1071761616.db2.gz SSOYIVLZRWSJJR-UHFFFAOYSA-N 1 1 495.628 3.530 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001314016235 1071759733 /nfs/dbraw/zinc/75/97/33/1071759733.db2.gz NLIKVUCGSPUXRJ-SFHVURJKSA-N 1 1 472.609 3.548 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001314017662 1071763710 /nfs/dbraw/zinc/76/37/10/1071763710.db2.gz VLHGRHRARSEWFS-CEMLEFRQSA-N 1 1 490.693 3.738 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC001314021171 1071773190 /nfs/dbraw/zinc/77/31/90/1071773190.db2.gz CXOWLBJDNOBDMK-HSZRJFAPSA-N 1 1 482.673 3.982 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314022698 1071776317 /nfs/dbraw/zinc/77/63/17/1071776317.db2.gz OBVFVXCFPXQLCY-FQEVSTJZSA-N 1 1 474.675 3.864 20 0 JHADMO 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CCO[C@]1(c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314139102 1072052084 /nfs/dbraw/zinc/05/20/84/1072052084.db2.gz GLQDWHANBVMEKD-RFLWCCGPSA-N 1 1 477.694 3.692 20 0 JHADMO CCO[C@]1(c2nnc(N3CCS[C@@H](C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314144667 1072062263 /nfs/dbraw/zinc/06/22/63/1072062263.db2.gz PALMJFVFMCBLFU-STWLZBDKSA-N 1 1 473.687 3.783 20 0 JHADMO CCc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305921675 1068217415 /nfs/dbraw/zinc/21/74/15/1068217415.db2.gz ZPXQZFOUJVZIBK-ZEQRLZLVSA-N 1 1 487.714 3.890 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CCCC(=O)NC)n2CC[N@H+]2CCc3sccc3C2)cc1 ZINC001305923112 1068218706 /nfs/dbraw/zinc/21/87/06/1068218706.db2.gz BZGDVXIUFMPCLX-UHFFFAOYSA-N 1 1 466.655 3.590 20 0 JHADMO CCc1cnc(CN(C)c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001305922957 1068218884 /nfs/dbraw/zinc/21/88/84/1068218884.db2.gz WNABNGPJHFVAFD-SFHVURJKSA-N 1 1 454.644 3.884 20 0 JHADMO 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CCc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305946956 1068263189 /nfs/dbraw/zinc/26/31/89/1068263189.db2.gz FYMXVUUTJLILJJ-VQTJNVASSA-N 1 1 452.647 3.685 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001305947165 1068263209 /nfs/dbraw/zinc/26/32/09/1068263209.db2.gz LWQIKLAGJBKXEG-JOCHJYFZSA-N 1 1 468.646 3.764 20 0 JHADMO CCc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001305948498 1068269312 /nfs/dbraw/zinc/26/93/12/1068269312.db2.gz AAQRAIOKVBZDRP-BGYRXZFFSA-N 1 1 452.647 3.590 20 0 JHADMO CCc1ccc(-c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CC[N@H+](C)[C@H](C)CC)cc1 ZINC001305948448 1068269422 /nfs/dbraw/zinc/26/94/22/1068269422.db2.gz DDHRQBZIBIPDFG-XXBNENTESA-N 1 1 451.619 3.549 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001305948662 1068269917 /nfs/dbraw/zinc/26/99/17/1068269917.db2.gz CDCPYOCZPNADAW-AGILITTLSA-N 1 1 455.647 3.727 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CC(C)(C)COC)cc1 ZINC001305948661 1068270135 /nfs/dbraw/zinc/27/01/35/1068270135.db2.gz XJQRGSMOBXFMIB-UHFFFAOYSA-N 1 1 479.673 3.853 20 0 JHADMO CCc1ccc([C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC[N@H+](C)[C@@H](C)CC)CCO2)cc1 ZINC001305954696 1068280958 /nfs/dbraw/zinc/28/09/58/1068280958.db2.gz NCMCBCCVDIYFNB-NZQKXSOJSA-N 1 1 491.640 3.796 20 0 JHADMO CCc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC001305958506 1068288196 /nfs/dbraw/zinc/28/81/96/1068288196.db2.gz HVQBLESTPRCTBY-DEOSSOPVSA-N 1 1 452.691 3.888 20 0 JHADMO CCc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001305961058 1068292553 /nfs/dbraw/zinc/29/25/53/1068292553.db2.gz WLYZMFAFGQVWAE-UHFFFAOYSA-N 1 1 466.674 3.762 20 0 JHADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305974660 1068310681 /nfs/dbraw/zinc/31/06/81/1068310681.db2.gz NLAZOVXEJFNKCP-FGZHOGPDSA-N 1 1 468.646 3.684 20 0 JHADMO 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COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754332 720873287 /nfs/dbraw/zinc/87/32/87/720873287.db2.gz RETOSJKZZPBYPU-PXDATVDWSA-N 1 1 471.001 3.672 20 0 JHADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164755521 720873879 /nfs/dbraw/zinc/87/38/79/720873879.db2.gz YGGKIWBYQCWEIM-NBGIEHNGSA-N 1 1 471.001 3.672 20 0 JHADMO Clc1ccc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755851 720877049 /nfs/dbraw/zinc/87/70/49/720877049.db2.gz ZCBWHUKCKAETRW-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO Clc1ccc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755847 720877374 /nfs/dbraw/zinc/87/73/74/720877374.db2.gz ZCBWHUKCKAETRW-NBGIEHNGSA-N 1 1 465.001 3.828 20 0 JHADMO CCOC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749889 720877767 /nfs/dbraw/zinc/87/77/67/720877767.db2.gz IBSRFWFXMNKYDC-WNCULLNHSA-N 1 1 464.610 3.717 20 0 JHADMO COc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750584 720879246 /nfs/dbraw/zinc/87/92/46/720879246.db2.gz JKLGPZOCLDUOJF-WXVAWEFUSA-N 1 1 459.594 3.789 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(COC)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164855391 720882589 /nfs/dbraw/zinc/88/25/89/720882589.db2.gz HBVNFHZXIHOJLR-TZIWHRDSSA-N 1 1 468.623 3.678 20 0 JHADMO COc1ccc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164753918 720883008 /nfs/dbraw/zinc/88/30/08/720883008.db2.gz HVKUVYPSBCSHQW-WNCULLNHSA-N 1 1 459.594 3.789 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]2C1 ZINC001164863729 720884866 /nfs/dbraw/zinc/88/48/66/720884866.db2.gz UBADERKKVLIVRB-YLJYHZDGSA-N 1 1 452.933 3.515 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]2C1 ZINC001164858554 720884971 /nfs/dbraw/zinc/88/49/71/720884971.db2.gz LBWIQTJFCCFXKT-YLJYHZDGSA-N 1 1 452.933 3.515 20 0 JHADMO COc1nc(Cl)nc(C)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756297 720889700 /nfs/dbraw/zinc/88/97/00/720889700.db2.gz PJUJLKJSBZMHQJ-HYBUGGRVSA-N 1 1 458.006 3.597 20 0 JHADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755682 720895049 /nfs/dbraw/zinc/89/50/49/720895049.db2.gz MNMSVWSAOBGJKT-WXVAWEFUSA-N 1 1 479.625 3.582 20 0 JHADMO COc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758085 720895699 /nfs/dbraw/zinc/89/56/99/720895699.db2.gz WLKDXBKZHDZROB-YWEHKCAJSA-N 1 1 486.620 3.697 20 0 JHADMO CCOC(=O)c1c(C)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756530 720899498 /nfs/dbraw/zinc/89/94/98/720899498.db2.gz PZRBJUVIRUDSNK-YIXXDRMTSA-N 1 1 464.610 3.717 20 0 JHADMO Fc1cccc(-c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754668 720919801 /nfs/dbraw/zinc/91/98/01/720919801.db2.gz WWDIQEHRNLUJFH-KCWPFWIISA-N 1 1 474.584 3.828 20 0 JHADMO c1csc(-c2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164749193 720937952 /nfs/dbraw/zinc/93/79/52/720937952.db2.gz IHZNCLFUKOMPSI-OFVILXPXSA-N 1 1 462.623 3.750 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)[C@@H]2C ZINC001164861454 720975874 /nfs/dbraw/zinc/97/58/74/720975874.db2.gz PWOBAMDKRAYLEB-LJQANCHMSA-N 1 1 461.618 3.542 20 0 JHADMO COc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)c(OC)c1OC ZINC001164857344 721013732 /nfs/dbraw/zinc/01/37/32/721013732.db2.gz DFAWHJAVDFHEOR-QGZVFWFLSA-N 1 1 466.586 3.787 20 0 JHADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764320 721092235 /nfs/dbraw/zinc/09/22/35/721092235.db2.gz HFUUWCCSWJFRKP-GOTSBHOMSA-N 1 1 484.604 3.909 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164870226 721134660 /nfs/dbraw/zinc/13/46/60/721134660.db2.gz BXVKJYFWANHTQX-BJKOFHAPSA-N 1 1 458.562 3.718 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164880708 721157057 /nfs/dbraw/zinc/15/70/57/721157057.db2.gz XFEDEBCKLRRHHK-SJLPKXTDSA-N 1 1 475.927 3.711 20 0 JHADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164876420 721168241 /nfs/dbraw/zinc/16/82/41/721168241.db2.gz MGBZKVFTQBOHQF-UXHICEINSA-N 1 1 499.644 3.902 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870064 721186980 /nfs/dbraw/zinc/18/69/80/721186980.db2.gz SLCKFRCAMDWFQU-GHTZIAJQSA-N 1 1 467.957 3.806 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164771468 721199426 /nfs/dbraw/zinc/19/94/26/721199426.db2.gz QFAHOUXGTOXODX-RTWAWAEBSA-N 1 1 465.671 3.596 20 0 JHADMO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164871663 721224229 /nfs/dbraw/zinc/22/42/29/721224229.db2.gz KGEDXZGBKXUWSF-OAQYLSRUSA-N 1 1 486.060 3.817 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761151 721241615 /nfs/dbraw/zinc/24/16/15/721241615.db2.gz HVBHZKWUMQLVRF-QZTJIDSGSA-N 1 1 454.962 3.623 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC2)C1 ZINC001164869892 721267488 /nfs/dbraw/zinc/26/74/88/721267488.db2.gz SKKISORTBBGAAH-UHFFFAOYSA-N 1 1 492.998 3.954 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1)c1ccc(Cl)nc1 ZINC001164770561 721300479 /nfs/dbraw/zinc/30/04/79/721300479.db2.gz UCVQRKYQCHVDDR-UHFFFAOYSA-N 1 1 450.967 3.597 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1)c1ccc(Cl)nc1 ZINC001164770561 721300481 /nfs/dbraw/zinc/30/04/81/721300481.db2.gz UCVQRKYQCHVDDR-UHFFFAOYSA-N 1 1 450.967 3.597 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cnc1Cl ZINC001164779790 721344271 /nfs/dbraw/zinc/34/42/71/721344271.db2.gz WNSGINBTFHTZBL-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cnc1Cl ZINC001164779790 721344275 /nfs/dbraw/zinc/34/42/75/721344275.db2.gz WNSGINBTFHTZBL-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164882930 721344406 /nfs/dbraw/zinc/34/44/06/721344406.db2.gz IYAWZHMGJMPGML-ZBLYBZFDSA-N 1 1 495.693 3.678 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)n1 ZINC001164887789 721344997 /nfs/dbraw/zinc/34/49/97/721344997.db2.gz VOXUPTUCRLXDES-KDYSTLNUSA-N 1 1 491.661 3.932 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C2)C1 ZINC001164777814 721355036 /nfs/dbraw/zinc/35/50/36/721355036.db2.gz IEGVALBLQUZIJC-VWLOTQADSA-N 1 1 490.048 3.987 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C2)C1 ZINC001164777814 721355042 /nfs/dbraw/zinc/35/50/42/721355042.db2.gz IEGVALBLQUZIJC-VWLOTQADSA-N 1 1 490.048 3.987 20 0 JHADMO COC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782935 721357878 /nfs/dbraw/zinc/35/78/78/721357878.db2.gz NTTDORBXUAJCBO-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO COC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782935 721357883 /nfs/dbraw/zinc/35/78/83/721357883.db2.gz NTTDORBXUAJCBO-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4C(C)C)C2)C1 ZINC001164784064 721360865 /nfs/dbraw/zinc/36/08/65/721360865.db2.gz QGAVQILDWVOTGM-QHCPKHFHSA-N 1 1 474.009 3.784 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C2)C1 ZINC001164784168 721366531 /nfs/dbraw/zinc/36/65/31/721366531.db2.gz QNQMWUWYWUEVJK-MHZLTWQESA-N 1 1 491.592 3.639 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C2)C1 ZINC001164784168 721366535 /nfs/dbraw/zinc/36/65/35/721366535.db2.gz QNQMWUWYWUEVJK-MHZLTWQESA-N 1 1 491.592 3.639 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(C(C)C)no4)ccn3)C2)C1 ZINC001164780285 721370991 /nfs/dbraw/zinc/37/09/91/721370991.db2.gz FOAPOBUATJKXPG-RUZDIDTESA-N 1 1 466.586 3.979 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(C(C)C)no4)ccn3)C2)C1 ZINC001164780285 721370995 /nfs/dbraw/zinc/37/09/95/721370995.db2.gz FOAPOBUATJKXPG-RUZDIDTESA-N 1 1 466.586 3.979 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164781470 721374446 /nfs/dbraw/zinc/37/44/46/721374446.db2.gz JVHVPUYRRXEWQB-HSZRJFAPSA-N 1 1 462.978 3.554 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164781470 721374448 /nfs/dbraw/zinc/37/44/48/721374448.db2.gz JVHVPUYRRXEWQB-HSZRJFAPSA-N 1 1 462.978 3.554 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)O2)CC1 ZINC001164894098 721393698 /nfs/dbraw/zinc/39/36/98/721393698.db2.gz XQYQUVKVUZHWSO-AVRDEDQJSA-N 1 1 465.976 3.594 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164783320 721401832 /nfs/dbraw/zinc/40/18/32/721401832.db2.gz HIDXJZPMQSIJEM-IRXDYDNUSA-N 1 1 451.987 3.553 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892403 721401908 /nfs/dbraw/zinc/40/19/08/721401908.db2.gz YACRICZWUGRBSD-VGOFRKELSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885084 721405972 /nfs/dbraw/zinc/40/59/72/721405972.db2.gz FLKMSTSOTUXTJM-AVRDEDQJSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888958 721408487 /nfs/dbraw/zinc/40/84/87/721408487.db2.gz PVWNNQGOTKCIGR-AOMKIAJQSA-N 1 1 450.414 3.702 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c32)C1 ZINC001164886146 721409491 /nfs/dbraw/zinc/40/94/91/721409491.db2.gz HVHQOUIBLKBXDM-RRQZXNHTSA-N 1 1 455.672 3.582 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883569 721421038 /nfs/dbraw/zinc/42/10/38/721421038.db2.gz AWKTVDIRRCQKPG-VGOFRKELSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889517 721425572 /nfs/dbraw/zinc/42/55/72/721425572.db2.gz BFXMYSFUGIAAQT-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890785 721431940 /nfs/dbraw/zinc/43/19/40/721431940.db2.gz FSKQJVJHSLXDFO-GIGWZHCTSA-N 1 1 471.649 3.986 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889617 721435885 /nfs/dbraw/zinc/43/58/85/721435885.db2.gz CHKGAMARDDOMTR-ZEQKJWHPSA-N 1 1 484.044 3.753 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899859 721439536 /nfs/dbraw/zinc/43/95/36/721439536.db2.gz ZKPNEBOAGWFTCO-FDDCHVKYSA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898339 721440798 /nfs/dbraw/zinc/44/07/98/721440798.db2.gz VSBWGKNUCRSCCG-BVAGGSTKSA-N 1 1 454.590 3.565 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895396 721441377 /nfs/dbraw/zinc/44/13/77/721441377.db2.gz OJCCKFRLHBNXMI-FTBPSBKWSA-N 1 1 490.023 3.690 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896860 721444065 /nfs/dbraw/zinc/44/40/65/721444065.db2.gz SGUNXTXSNGZUGK-LITSAYRRSA-N 1 1 490.696 3.899 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897582 721444758 /nfs/dbraw/zinc/44/47/58/721444758.db2.gz UFEJGGXPJGLRFH-NLFFAJNJSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887992 721447179 /nfs/dbraw/zinc/44/71/79/721447179.db2.gz LLJWRBGVSIIJTE-DNVCBOLYSA-N 1 1 465.372 3.579 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164789410 721450022 /nfs/dbraw/zinc/45/00/22/721450022.db2.gz VOGUIBBWQSYBRH-INIZCTEOSA-N 1 1 468.429 3.999 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164890871 721450569 /nfs/dbraw/zinc/45/05/69/721450569.db2.gz SXXKBESGILBQRY-DNVCBOLYSA-N 1 1 465.372 3.579 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890316 721451532 /nfs/dbraw/zinc/45/15/32/721451532.db2.gz QSFTYQZOPXVWDA-TZIWHRDSSA-N 1 1 454.993 3.620 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892039 721451573 /nfs/dbraw/zinc/45/15/73/721451573.db2.gz VXSHAGGGTUIREG-TZIWHRDSSA-N 1 1 454.993 3.620 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C3)O2)CC1 ZINC001164889886 721453909 /nfs/dbraw/zinc/45/39/09/721453909.db2.gz PRDAUUZFEJANTL-FDDCHVKYSA-N 1 1 483.488 3.539 20 0 JHADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164884282 721458587 /nfs/dbraw/zinc/45/85/87/721458587.db2.gz AKSGAWXEQMHTON-NJYVYQBISA-N 1 1 495.693 3.818 20 0 JHADMO CCOC(=O)c1nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1Cl ZINC001164783306 721464188 /nfs/dbraw/zinc/46/41/88/721464188.db2.gz DFVFEBGWKQHCKX-IBGZPJMESA-N 1 1 466.022 3.646 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164790104 721467037 /nfs/dbraw/zinc/46/70/37/721467037.db2.gz QXDAMGIDTDADFK-LJQANCHMSA-N 1 1 456.656 3.914 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164790646 721473803 /nfs/dbraw/zinc/47/38/03/721473803.db2.gz TVTRMRWRPHFDNJ-NRFANRHFSA-N 1 1 453.631 3.959 20 0 JHADMO c1cnn(C[C@H]2Cn3ccnc3CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)c1 ZINC001164894836 721487275 /nfs/dbraw/zinc/48/72/75/721487275.db2.gz JMGCCMXMEQAPEZ-IBGZPJMESA-N 1 1 488.665 3.896 20 0 JHADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164905187 721526016 /nfs/dbraw/zinc/52/60/16/721526016.db2.gz GIJPHSQHMPHFJT-WBVHZDCISA-N 1 1 458.921 3.781 20 0 JHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c2[nH]cnc21 ZINC001164905378 721550957 /nfs/dbraw/zinc/55/09/57/721550957.db2.gz HBQNEHCLWYHRRJ-FUHWJXTLSA-N 1 1 468.533 3.786 20 0 JHADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164909277 721552786 /nfs/dbraw/zinc/55/27/86/721552786.db2.gz UDKUJJFFYPEFAF-GMAHTHKFSA-N 1 1 458.537 3.766 20 0 JHADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906492 721556253 /nfs/dbraw/zinc/55/62/53/721556253.db2.gz JRHRZDVSJDNWEV-PZJWPPBQSA-N 1 1 458.965 3.842 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2cc1OC ZINC001164803998 721556614 /nfs/dbraw/zinc/55/66/14/721556614.db2.gz KMOUCVOCQQOSGR-IPJJNNNSSA-N 1 1 469.973 3.564 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2cc1OC ZINC001164803998 721556617 /nfs/dbraw/zinc/55/66/17/721556617.db2.gz KMOUCVOCQQOSGR-IPJJNNNSSA-N 1 1 469.973 3.564 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802190 721561051 /nfs/dbraw/zinc/56/10/51/721561051.db2.gz HNPUEBCKILFRPH-WOIUINJBSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802190 721561054 /nfs/dbraw/zinc/56/10/54/721561054.db2.gz HNPUEBCKILFRPH-WOIUINJBSA-N 1 1 458.006 3.527 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164906503 721561802 /nfs/dbraw/zinc/56/18/02/721561802.db2.gz JRIUGJYJYZWHOI-ICSRJNTNSA-N 1 1 480.540 3.650 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906505 721562226 /nfs/dbraw/zinc/56/22/26/721562226.db2.gz JRIUGJYJYZWHOI-QUCCMNQESA-N 1 1 480.540 3.650 20 0 JHADMO CN(C)C(=O)[C@H]1CC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164902382 721570680 /nfs/dbraw/zinc/57/06/80/721570680.db2.gz LBFVEEABEMIEJK-GOSISDBHSA-N 1 1 453.656 3.861 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164806047 721574755 /nfs/dbraw/zinc/57/47/55/721574755.db2.gz PFHLMHDCEOQNDL-NNMXDRDESA-N 1 1 479.585 3.568 20 0 JHADMO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCCCC1 ZINC001164906111 721585719 /nfs/dbraw/zinc/58/57/19/721585719.db2.gz LKEXJYBWKOTEIQ-XMMPIXPASA-N 1 1 455.553 3.840 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)c2)CC1 ZINC001164798761 721605674 /nfs/dbraw/zinc/60/56/74/721605674.db2.gz IBEFKMRXZDDUIP-VWLOTQADSA-N 1 1 484.000 3.962 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)n1 ZINC001164799829 721606586 /nfs/dbraw/zinc/60/65/86/721606586.db2.gz CDBNWLCUBTXEEL-SANMLTNESA-N 1 1 495.697 3.993 20 0 JHADMO FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909665 721727862 /nfs/dbraw/zinc/72/78/62/721727862.db2.gz CQTGMYOFPVQQRA-SFHVURJKSA-N 1 1 459.875 3.730 20 0 JHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911620 721736957 /nfs/dbraw/zinc/73/69/57/721736957.db2.gz JRKHSSNXROJSDX-VFNWGFHPSA-N 1 1 465.932 3.539 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC001165017269 721785030 /nfs/dbraw/zinc/78/50/30/721785030.db2.gz GDFHWFGBNORRKG-VWLOTQADSA-N 1 1 479.654 3.963 20 0 JHADMO Fc1ccc(-c2nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913441 721794411 /nfs/dbraw/zinc/79/44/11/721794411.db2.gz DCLJNYJNWXFZBS-MUUNZHRXSA-N 1 1 485.563 3.939 20 0 JHADMO Fc1ccc(-c2nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913441 721794415 /nfs/dbraw/zinc/79/44/15/721794415.db2.gz DCLJNYJNWXFZBS-MUUNZHRXSA-N 1 1 485.563 3.939 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165027276 721801250 /nfs/dbraw/zinc/80/12/50/721801250.db2.gz VIMYZIGJRIOGBP-IPELMVKDSA-N 1 1 479.959 3.984 20 0 JHADMO 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 721819356 /nfs/dbraw/zinc/81/93/56/721819356.db2.gz VIUXUMXRIDQEEG-JXHRLWIKSA-N 1 1 479.625 3.985 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@@H]21 ZINC001165026409 721820494 /nfs/dbraw/zinc/82/04/94/721820494.db2.gz PUVIOSUBPBPLNQ-VEXUSMLFSA-N 1 1 493.633 3.804 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028359 721822060 /nfs/dbraw/zinc/82/20/60/721822060.db2.gz VOKAKAXNNAWPNI-QGTPRVQTSA-N 1 1 454.962 3.530 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1C ZINC001165026717 721822305 /nfs/dbraw/zinc/82/23/05/721822305.db2.gz PTMVXSDSAQDISI-SNRMKQJTSA-N 1 1 468.989 3.540 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030568 721825232 /nfs/dbraw/zinc/82/52/32/721825232.db2.gz ZZNRBEAFJDGINP-TZYAJKAJSA-N 1 1 471.671 3.680 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164925982 721871833 /nfs/dbraw/zinc/87/18/33/721871833.db2.gz PMGIDMAZVXXRGF-WOJBJXKFSA-N 1 1 460.981 3.932 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164925982 721871834 /nfs/dbraw/zinc/87/18/34/721871834.db2.gz PMGIDMAZVXXRGF-WOJBJXKFSA-N 1 1 460.981 3.932 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164940520 721926128 /nfs/dbraw/zinc/92/61/28/721926128.db2.gz SLXQZDYVVFRVBN-UHFFFAOYSA-N 1 1 460.578 3.986 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC3)C2)cc1 ZINC001164939085 721931169 /nfs/dbraw/zinc/93/11/69/721931169.db2.gz INZCMXVSKKWJRO-UHFFFAOYSA-N 1 1 498.675 3.983 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C(=O)NCC[N@H+]5Cc4ccccc4)c32)C1 ZINC001164945792 721973604 /nfs/dbraw/zinc/97/36/04/721973604.db2.gz SBDXCMRQGPUBFH-GOSISDBHSA-N 1 1 461.635 3.787 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C(=O)NCC[N@@H+]5Cc4ccccc4)c32)C1 ZINC001164945792 721973606 /nfs/dbraw/zinc/97/36/06/721973606.db2.gz SBDXCMRQGPUBFH-GOSISDBHSA-N 1 1 461.635 3.787 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948840 721981095 /nfs/dbraw/zinc/98/10/95/721981095.db2.gz MCIIZBMUUCATRF-VWLOTQADSA-N 1 1 461.654 3.990 20 0 JHADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164954096 722009976 /nfs/dbraw/zinc/00/99/76/722009976.db2.gz IFJYPLCAKQRHPD-WXTAPIANSA-N 1 1 498.697 3.565 20 0 JHADMO O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164956104 722033162 /nfs/dbraw/zinc/03/31/62/722033162.db2.gz BWKWFNRHOIAAGD-YWEHKCAJSA-N 1 1 453.590 3.568 20 0 JHADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164961657 722039646 /nfs/dbraw/zinc/03/96/46/722039646.db2.gz LYKDJRFITSPGAY-OEWRPIJISA-N 1 1 453.656 3.619 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164961502 722060686 /nfs/dbraw/zinc/06/06/86/722060686.db2.gz KYVAOEMMEFBHTI-UHFFFAOYSA-N 1 1 475.593 3.675 20 0 JHADMO F[C@]1(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164967556 722072975 /nfs/dbraw/zinc/07/29/75/722072975.db2.gz PSFKXJPTZZDDCS-GLDPYIMESA-N 1 1 492.426 3.717 20 0 JHADMO F[C@]1(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164967556 722072976 /nfs/dbraw/zinc/07/29/76/722072976.db2.gz PSFKXJPTZZDDCS-GLDPYIMESA-N 1 1 492.426 3.717 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@@H]4C3)c2c1C ZINC001164971131 722090560 /nfs/dbraw/zinc/09/05/60/722090560.db2.gz AANFPBJZXLJDMI-UYAOXDASSA-N 1 1 497.690 3.904 20 0 JHADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980768 722102604 /nfs/dbraw/zinc/10/26/04/722102604.db2.gz KJAGZRHGDCPZGY-FXAWDEMLSA-N 1 1 459.928 3.950 20 0 JHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981765 722110861 /nfs/dbraw/zinc/11/08/61/722110861.db2.gz VDCMWIVYCSKZLB-UWJYYQICSA-N 1 1 459.928 3.950 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978859 722145873 /nfs/dbraw/zinc/14/58/73/722145873.db2.gz JZQTXXQPIDDRBM-LAUBAEHRSA-N 1 1 489.954 3.959 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164973883 722153586 /nfs/dbraw/zinc/15/35/86/722153586.db2.gz NLJVXSCPFPFPQF-IGKIAQTJSA-N 1 1 473.621 3.815 20 0 JHADMO COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)n2)cc1 ZINC001164987065 722186177 /nfs/dbraw/zinc/18/61/77/722186177.db2.gz IZVSVXCBVRWHLI-RPWUZVMVSA-N 1 1 494.665 3.756 20 0 JHADMO O=S(=O)(c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC001164995932 722207740 /nfs/dbraw/zinc/20/77/40/722207740.db2.gz QAKSGAMXSOAZPW-XMMPIXPASA-N 1 1 458.603 3.640 20 0 JHADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996654 722208095 /nfs/dbraw/zinc/20/80/95/722208095.db2.gz UTUJVYXTCXAMJP-RLWLMLJZSA-N 1 1 467.589 3.640 20 0 JHADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164995135 722216165 /nfs/dbraw/zinc/21/61/65/722216165.db2.gz GXRSGEBVWOYMRI-DFQSSKMNSA-N 1 1 483.682 3.674 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4cc(OCc5ccccc5)ccc4n2)CC3)CC1 ZINC001164997820 722234729 /nfs/dbraw/zinc/23/47/29/722234729.db2.gz XEJJTEMISDEKTC-UHFFFAOYSA-N 1 1 480.616 3.961 20 0 JHADMO C[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007900 722274030 /nfs/dbraw/zinc/27/40/30/722274030.db2.gz GQOARUIFNBFDRO-BHAWFMJASA-N 1 1 498.631 3.833 20 0 JHADMO C[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007900 722274033 /nfs/dbraw/zinc/27/40/33/722274033.db2.gz GQOARUIFNBFDRO-BHAWFMJASA-N 1 1 498.631 3.833 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCCC2)CC[N@H+]1CCOC ZINC001306624289 1069317468 /nfs/dbraw/zinc/31/74/68/1069317468.db2.gz XTDLFWYRNBVCSQ-QFIPXVFZSA-N 1 1 471.646 3.586 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306625659 1069320160 /nfs/dbraw/zinc/32/01/60/1069320160.db2.gz SFCMPTAXRGXMSA-UXHICEINSA-N 1 1 462.664 3.578 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001306626453 1069321488 /nfs/dbraw/zinc/32/14/88/1069321488.db2.gz YMTVSQZNIMLGKO-STZQEDGTSA-N 1 1 474.650 3.518 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)nc2)CC[N@H+]1CCOC ZINC001306628268 1069325805 /nfs/dbraw/zinc/32/58/05/1069325805.db2.gz XWCZLIYOKNBINY-XMMPIXPASA-N 1 1 466.605 3.697 20 0 JHADMO CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC(F)(F)F)CC[N@H+]1CCOC ZINC001306631313 1069331478 /nfs/dbraw/zinc/33/14/78/1069331478.db2.gz GHYDLOMABRFAPE-LJQANCHMSA-N 1 1 469.552 3.973 20 0 JHADMO COc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)N(C)C)cc1OC ZINC001311350593 1069337277 /nfs/dbraw/zinc/33/72/77/1069337277.db2.gz VTOCYPYDICQDDR-XXBNENTESA-N 1 1 454.615 3.831 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC001306635760 1069343744 /nfs/dbraw/zinc/34/37/44/1069343744.db2.gz SDXFWKDLXYDSHQ-IFMALSPDSA-N 1 1 478.037 3.777 20 0 JHADMO CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306645992 1069357809 /nfs/dbraw/zinc/35/78/09/1069357809.db2.gz MMBVZMPGGFXTJZ-HSZRJFAPSA-N 1 1 454.663 3.675 20 0 JHADMO Cc1cccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)N2CCOCC2)c1 ZINC001311390191 1069358259 /nfs/dbraw/zinc/35/82/59/1069358259.db2.gz CPBBGJDBEBWIKH-FTJBHMTQSA-N 1 1 450.627 3.722 20 0 JHADMO CC[C@@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC001311393977 1069359953 /nfs/dbraw/zinc/35/99/53/1069359953.db2.gz DZUSCLUAPQIPJH-REWPJTCUSA-N 1 1 453.537 3.924 20 0 JHADMO CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306653377 1069364707 /nfs/dbraw/zinc/36/47/07/1069364707.db2.gz YEVRETHFEZHQTC-UHFFFAOYSA-N 1 1 459.708 3.819 20 0 JHADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311430205 1069376426 /nfs/dbraw/zinc/37/64/26/1069376426.db2.gz ITGSJTOUGRJYLC-FCEUIQTBSA-N 1 1 466.667 3.602 20 0 JHADMO CC(C)NC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC001311436117 1069378725 /nfs/dbraw/zinc/37/87/25/1069378725.db2.gz LMIVIDUDAUQRTO-VXKWHMMOSA-N 1 1 454.640 3.794 20 0 JHADMO CC(C)NC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC001311436117 1069378738 /nfs/dbraw/zinc/37/87/38/1069378738.db2.gz LMIVIDUDAUQRTO-VXKWHMMOSA-N 1 1 454.640 3.794 20 0 JHADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311450001 1069384050 /nfs/dbraw/zinc/38/40/50/1069384050.db2.gz UVQZZEQUFOGBLD-ROUUACIJSA-N 1 1 454.384 3.606 20 0 JHADMO CCCOc1ccc(Oc2ncccc2CNC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC001311452923 1069385849 /nfs/dbraw/zinc/38/58/49/1069385849.db2.gz RRZFJBAZVMBSMQ-BGYRXZFFSA-N 1 1 456.587 3.913 20 0 JHADMO CCCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001306663534 1069386206 /nfs/dbraw/zinc/38/62/06/1069386206.db2.gz AXASNRSUIWTRQZ-GOSISDBHSA-N 1 1 455.994 3.872 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306664263 1069387868 /nfs/dbraw/zinc/38/78/68/1069387868.db2.gz GSMHEEMMOLVWFL-CQOQZXRMSA-N 1 1 488.721 3.767 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001306678566 1069403051 /nfs/dbraw/zinc/40/30/51/1069403051.db2.gz KUSXIIXOHOBZIM-YTTGMZPUSA-N 1 1 460.692 3.836 20 0 JHADMO 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 1069404143 /nfs/dbraw/zinc/40/41/43/1069404143.db2.gz CUWDOYUNVIHDJM-PWIZWCRZSA-N 1 1 455.521 3.802 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306680212 1069406486 /nfs/dbraw/zinc/40/64/86/1069406486.db2.gz VINFMJFVHITLJD-UHFFFAOYSA-N 1 1 473.687 3.718 20 0 JHADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC001311499505 1069408385 /nfs/dbraw/zinc/40/83/85/1069408385.db2.gz YHDNTXWVLFTFET-HSZRJFAPSA-N 1 1 450.627 3.825 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CC ZINC001306681551 1069411308 /nfs/dbraw/zinc/41/13/08/1069411308.db2.gz NMYALHNCRANJBX-IBGZPJMESA-N 1 1 461.680 3.657 20 0 JHADMO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn2)CCO1 ZINC001311504568 1069412970 /nfs/dbraw/zinc/41/29/70/1069412970.db2.gz UQXKJWJESAFJCA-LGVFNWMJSA-N 1 1 451.615 3.501 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001306680968 1069409036 /nfs/dbraw/zinc/40/90/36/1069409036.db2.gz WRGDZXKVXALABG-AFMDSPMNSA-N 1 1 491.627 3.635 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001306682985 1069415296 /nfs/dbraw/zinc/41/52/96/1069415296.db2.gz SHDXMQPWMFNKPY-QHCPKHFHSA-N 1 1 489.462 3.607 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306683262 1069415896 /nfs/dbraw/zinc/41/58/96/1069415896.db2.gz QIMMOJSGROYXFW-UHFFFAOYSA-N 1 1 495.093 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001306683253 1069415958 /nfs/dbraw/zinc/41/59/58/1069415958.db2.gz WFCGOHLDSMTIAU-IBGZPJMESA-N 1 1 457.579 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)CC1 ZINC001306684469 1069419304 /nfs/dbraw/zinc/41/93/04/1069419304.db2.gz MEUBXARUMFTHOE-UHFFFAOYSA-N 1 1 456.513 3.516 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306684751 1069419319 /nfs/dbraw/zinc/41/93/19/1069419319.db2.gz RULBABQZAFYFRN-UHFFFAOYSA-N 1 1 479.604 3.740 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001306685466 1069421414 /nfs/dbraw/zinc/42/14/14/1069421414.db2.gz FBWWGAPXGDLPNH-UHFFFAOYSA-N 1 1 454.663 3.869 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2oncc2C1 ZINC001306685723 1069421499 /nfs/dbraw/zinc/42/14/99/1069421499.db2.gz JTLNQLAZEUWSQM-LJQANCHMSA-N 1 1 487.649 3.675 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001306689514 1069427332 /nfs/dbraw/zinc/42/73/32/1069427332.db2.gz XRDLDRJAYDEKMR-QHCPKHFHSA-N 1 1 487.599 3.728 20 0 JHADMO CCCC[N@H+](C)CCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425795 /nfs/dbraw/zinc/42/57/95/1069425795.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 1 1 458.699 3.560 20 0 JHADMO CCCC[N@@H+](C)CCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425798 /nfs/dbraw/zinc/42/57/98/1069425798.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 1 1 458.699 3.560 20 0 JHADMO CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)N1CC[NH+](C)CC1 ZINC001311535822 1069428288 /nfs/dbraw/zinc/42/82/88/1069428288.db2.gz KFGKQAMTFPRPRA-DHIUTWEWSA-N 1 1 456.610 3.724 20 0 JHADMO O=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001311538924 1069430879 /nfs/dbraw/zinc/43/08/79/1069430879.db2.gz UAVUKFXDRLGTMB-FUPPJEDESA-N 1 1 455.002 3.670 20 0 JHADMO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001306703189 1069439187 /nfs/dbraw/zinc/43/91/87/1069439187.db2.gz POLWUCQIAVTJFH-MRXNPFEDSA-N 1 1 466.424 3.673 20 0 JHADMO CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001306708195 1069442630 /nfs/dbraw/zinc/44/26/30/1069442630.db2.gz GADHQNOIJHVTTF-NRFANRHFSA-N 1 1 476.666 3.841 20 0 JHADMO C[NH+]1CCN([C@@H](CNC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC001311571667 1069443308 /nfs/dbraw/zinc/44/33/08/1069443308.db2.gz OBEBIWJQCXDMMK-YADHBBJMSA-N 1 1 456.656 3.816 20 0 JHADMO C[NH+](C)[C@H](CNC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1Cl ZINC001311581848 1069448893 /nfs/dbraw/zinc/44/88/93/1069448893.db2.gz JZRRWMPZTHYGEW-HSZRJFAPSA-N 1 1 457.018 3.819 20 0 JHADMO O=C(NCCCOC[C@H]1CCCO1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589367 1069453045 /nfs/dbraw/zinc/45/30/45/1069453045.db2.gz ASWFOYJXOKGFEJ-DSNGMDLFSA-N 1 1 455.574 3.679 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721557 1069457890 /nfs/dbraw/zinc/45/78/90/1069457890.db2.gz BMVBOZQBWMZDBZ-CTNGQTDRSA-N 1 1 458.630 3.702 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1 ZINC001306721629 1069458360 /nfs/dbraw/zinc/45/83/60/1069458360.db2.gz CRZHLOVVFUGQHK-IBGZPJMESA-N 1 1 455.607 3.890 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721578 1069458410 /nfs/dbraw/zinc/45/84/10/1069458410.db2.gz BVPAGKQQKIKIKM-OAQYLSRUSA-N 1 1 459.660 3.849 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001306721755 1069458448 /nfs/dbraw/zinc/45/84/48/1069458448.db2.gz BWRPAMKEWLNHBU-JOCHJYFZSA-N 1 1 450.635 3.981 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306722104 1069458975 /nfs/dbraw/zinc/45/89/75/1069458975.db2.gz DZZJEQYJZNDWFZ-QFIPXVFZSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 ZINC001306722225 1069459730 /nfs/dbraw/zinc/45/97/30/1069459730.db2.gz IYJDZEZXTAJNQL-RBBKRZOGSA-N 1 1 486.636 3.880 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306722580 1069461176 /nfs/dbraw/zinc/46/11/76/1069461176.db2.gz JDRWWGDMYXFTCH-QFIPXVFZSA-N 1 1 481.689 3.998 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001306723325 1069462991 /nfs/dbraw/zinc/46/29/91/1069462991.db2.gz RNININFGFJPLTL-LOSJGSFVSA-N 1 1 482.673 3.503 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306724483 1069465130 /nfs/dbraw/zinc/46/51/30/1069465130.db2.gz YCECQSBTGSLALZ-JDRJUVJTSA-N 1 1 486.636 3.914 20 0 JHADMO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619070 1069470015 /nfs/dbraw/zinc/47/00/15/1069470015.db2.gz JJQJEVQWRFDCEI-PGRDOPGGSA-N 1 1 454.546 3.627 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726832 1069470515 /nfs/dbraw/zinc/47/05/15/1069470515.db2.gz NTFBEYHEEMLHJF-XZOQPEGZSA-N 1 1 474.694 3.869 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306726831 1069470654 /nfs/dbraw/zinc/47/06/54/1069470654.db2.gz NTFBEYHEEMLHJF-PKTZIBPZSA-N 1 1 474.694 3.869 20 0 JHADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001311621046 1069471698 /nfs/dbraw/zinc/47/16/98/1069471698.db2.gz NHVUEGBEOFVVFE-IBGZPJMESA-N 1 1 458.006 3.569 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727935 1069473818 /nfs/dbraw/zinc/47/38/18/1069473818.db2.gz SHRSJLXREVJMLM-PCCBWWKXSA-N 1 1 476.666 3.540 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306728170 1069474387 /nfs/dbraw/zinc/47/43/87/1069474387.db2.gz TUXJYHBXOVIYRB-IBGZPJMESA-N 1 1 453.697 3.535 20 0 JHADMO COc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(OC)c1OC ZINC001311625264 1069474939 /nfs/dbraw/zinc/47/49/39/1069474939.db2.gz LKMNRRIMJRXIQN-QZTJIDSGSA-N 1 1 467.488 3.575 20 0 JHADMO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(OC)c1OC ZINC001311625264 1069474940 /nfs/dbraw/zinc/47/49/40/1069474940.db2.gz LKMNRRIMJRXIQN-QZTJIDSGSA-N 1 1 467.488 3.575 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC(Cc2ccccc2Br)C1 ZINC001311626455 1069476059 /nfs/dbraw/zinc/47/60/59/1069476059.db2.gz YSCKUQQHDRHIDP-UHFFFAOYSA-N 1 1 458.400 3.665 20 0 JHADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)c2)cc1 ZINC001311633791 1069481003 /nfs/dbraw/zinc/48/10/03/1069481003.db2.gz MLVLEJWKHNCJDO-FQEVSTJZSA-N 1 1 450.583 3.642 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001306729269 1069477644 /nfs/dbraw/zinc/47/76/44/1069477644.db2.gz LRZNSRHSBZUTDU-RDPSFJRHSA-N 1 1 454.663 3.996 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001306731053 1069484438 /nfs/dbraw/zinc/48/44/38/1069484438.db2.gz OJVMHWNEASWXOD-PPGORRQASA-N 1 1 465.708 3.987 20 0 JHADMO O=C(CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC001311654361 1069490301 /nfs/dbraw/zinc/49/03/01/1069490301.db2.gz PUERZXXFXKTNCA-HXUWFJFHSA-N 1 1 459.388 3.742 20 0 JHADMO CCN(CC1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1)C(=O)OC(C)(C)C ZINC001311653640 1069489718 /nfs/dbraw/zinc/48/97/18/1069489718.db2.gz GNFKTSUXMQKCDP-UHFFFAOYSA-N 1 1 456.591 3.754 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001306733386 1069492695 /nfs/dbraw/zinc/49/26/95/1069492695.db2.gz WEOZDFCUKRONBK-YKSBVNFPSA-N 1 1 452.647 3.556 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306734115 1069495461 /nfs/dbraw/zinc/49/54/61/1069495461.db2.gz ANDOVELCWMDTMR-CTNGQTDRSA-N 1 1 488.080 3.858 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306733626 1069493880 /nfs/dbraw/zinc/49/38/80/1069493880.db2.gz LBPRSJQYJVXRQJ-FYYLOGMGSA-N 1 1 488.721 3.643 20 0 JHADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001311671827 1069497926 /nfs/dbraw/zinc/49/79/26/1069497926.db2.gz GXCNFLSIRKJQDW-HBMCJLEFSA-N 1 1 450.071 3.518 20 0 JHADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)[C@@H](C)C1 ZINC001311679438 1069500909 /nfs/dbraw/zinc/50/09/09/1069500909.db2.gz NHSKHQFWZMKACP-KRWDZBQOSA-N 1 1 455.521 3.796 20 0 JHADMO COC(=O)CC[N@H+]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)[C@@H](C)C1 ZINC001311679438 1069500914 /nfs/dbraw/zinc/50/09/14/1069500914.db2.gz NHSKHQFWZMKACP-KRWDZBQOSA-N 1 1 455.521 3.796 20 0 JHADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)C1 ZINC001311695225 1069507881 /nfs/dbraw/zinc/50/78/81/1069507881.db2.gz SZKHQULNZINCPE-SJORKVTESA-N 1 1 454.537 3.879 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306740799 1069514657 /nfs/dbraw/zinc/51/46/57/1069514657.db2.gz VNAYIGNERBLVMJ-YPAWHYETSA-N 1 1 469.678 3.537 20 0 JHADMO CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)ccc2NC1=O ZINC001311719873 1069518787 /nfs/dbraw/zinc/51/87/87/1069518787.db2.gz DQNBQVGXRABFLC-JTSKRJEESA-N 1 1 450.583 3.993 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001306743452 1069522337 /nfs/dbraw/zinc/52/23/37/1069522337.db2.gz JEDFECRWGFUISS-BJKOFHAPSA-N 1 1 481.689 3.517 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001306744435 1069525061 /nfs/dbraw/zinc/52/50/61/1069525061.db2.gz XLSJAHQNXCXDIO-JOCHJYFZSA-N 1 1 487.718 3.641 20 0 JHADMO C[C@@]1(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001311753509 1069533631 /nfs/dbraw/zinc/53/36/31/1069533631.db2.gz GDCKZGNAXOOSLR-WPFOTENUSA-N 1 1 460.544 3.981 20 0 JHADMO C[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC001311791414 1069546817 /nfs/dbraw/zinc/54/68/17/1069546817.db2.gz JTIWNHDXUCYSGY-ZWKOTPCHSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC001311791414 1069546825 /nfs/dbraw/zinc/54/68/25/1069546825.db2.gz JTIWNHDXUCYSGY-ZWKOTPCHSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[N@@H+]1CCc2sccc2C1 ZINC001311794634 1069548112 /nfs/dbraw/zinc/54/81/12/1069548112.db2.gz MVESNPWBZMOBCM-WBVHZDCISA-N 1 1 450.555 3.674 20 0 JHADMO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[N@H+]1CCc2sccc2C1 ZINC001311794634 1069548124 /nfs/dbraw/zinc/54/81/24/1069548124.db2.gz MVESNPWBZMOBCM-WBVHZDCISA-N 1 1 450.555 3.674 20 0 JHADMO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001306768997 1069569125 /nfs/dbraw/zinc/56/91/25/1069569125.db2.gz PAWZODPAJJEXJR-INIZCTEOSA-N 1 1 454.388 3.540 20 0 JHADMO CCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001306770293 1069569488 /nfs/dbraw/zinc/56/94/88/1069569488.db2.gz MSFBIYCRSOPIOT-UHFFFAOYSA-N 1 1 463.468 3.827 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C1 ZINC001306778700 1069574392 /nfs/dbraw/zinc/57/43/92/1069574392.db2.gz AYGXQACTXCDOTR-QGZVFWFLSA-N 1 1 479.467 3.899 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)C1 ZINC001306779850 1069576207 /nfs/dbraw/zinc/57/62/07/1069576207.db2.gz JNQSFJHNZMALSM-UUOWRZLLSA-N 1 1 480.028 3.939 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780252 1069576698 /nfs/dbraw/zinc/57/66/98/1069576698.db2.gz AIIKESBQSHFIJM-PKOBYXMFSA-N 1 1 478.037 3.669 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)CC)C1 ZINC001306780262 1069577294 /nfs/dbraw/zinc/57/72/94/1069577294.db2.gz AMAVBXWRODQXLY-IBGZPJMESA-N 1 1 465.646 3.796 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)no2)C1 ZINC001306781426 1069579462 /nfs/dbraw/zinc/57/94/62/1069579462.db2.gz UIARZOWUVOPUSH-MRXNPFEDSA-N 1 1 476.423 3.559 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 ZINC001306783341 1069581044 /nfs/dbraw/zinc/58/10/44/1069581044.db2.gz GQZIZXBRCJPBJS-JOCHJYFZSA-N 1 1 485.654 3.608 20 0 JHADMO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001311859441 1069584953 /nfs/dbraw/zinc/58/49/53/1069584953.db2.gz HVCYIADHIVQPEG-LJQANCHMSA-N 1 1 454.590 3.922 20 0 JHADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869981 1069588457 /nfs/dbraw/zinc/58/84/57/1069588457.db2.gz BXEHTSCNLIMXSX-YADHBBJMSA-N 1 1 458.965 3.938 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001306785303 1069586910 /nfs/dbraw/zinc/58/69/10/1069586910.db2.gz PIJKLUJUNGDMMC-LAUBAEHRSA-N 1 1 497.562 3.852 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)C1 ZINC001306786522 1069589211 /nfs/dbraw/zinc/58/92/11/1069589211.db2.gz VONNIOSRDGGIHF-JOCHJYFZSA-N 1 1 454.663 3.532 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)C1 ZINC001306786523 1069589279 /nfs/dbraw/zinc/58/92/79/1069589279.db2.gz VONNIOSRDGGIHF-QFIPXVFZSA-N 1 1 454.663 3.532 20 0 JHADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](Cc3nccn3C)c3ccccc3)CC2)oc1C ZINC001311879216 1069593395 /nfs/dbraw/zinc/59/33/95/1069593395.db2.gz YGXQDSDAUHAYRY-QFIPXVFZSA-N 1 1 450.587 3.520 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CC2)C1 ZINC001306786953 1069590592 /nfs/dbraw/zinc/59/05/92/1069590592.db2.gz YTAKOLOWBVEXSM-IAQAZVPISA-N 1 1 480.078 3.686 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnccc2OC)C1 ZINC001306787723 1069592170 /nfs/dbraw/zinc/59/21/70/1069592170.db2.gz HNKGHIGRHOLDRO-FQEVSTJZSA-N 1 1 452.578 3.628 20 0 JHADMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)nc(N3CCCC3)c2)C1 ZINC001306787909 1069592918 /nfs/dbraw/zinc/59/29/18/1069592918.db2.gz JDUKXJGYPKDVPG-JOCHJYFZSA-N 1 1 453.679 3.997 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)nc(N3CCCC3)c2)C1 ZINC001306787909 1069592930 /nfs/dbraw/zinc/59/29/30/1069592930.db2.gz JDUKXJGYPKDVPG-JOCHJYFZSA-N 1 1 453.679 3.997 20 0 JHADMO 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CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)C1 ZINC001307032220 1069742957 /nfs/dbraw/zinc/74/29/57/1069742957.db2.gz RGGQKLHAKZODSD-FQEVSTJZSA-N 1 1 450.587 3.574 20 0 JHADMO CCOc1ccc(C[NH+]2CCN(c3nnc(C4CC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001314187874 1069743021 /nfs/dbraw/zinc/74/30/21/1069743021.db2.gz GCSVHBRDFUXEPH-UHFFFAOYSA-N 1 1 484.645 3.743 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001307032484 1069744109 /nfs/dbraw/zinc/74/41/09/1069744109.db2.gz UCLGNASXGXVVLV-UXHICEINSA-N 1 1 489.064 3.692 20 0 JHADMO CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cnn(CC)c3)CC2)cc1 ZINC001314189687 1069748182 /nfs/dbraw/zinc/74/81/82/1069748182.db2.gz WGKRFGWPLJFKLD-UHFFFAOYSA-N 1 1 451.619 3.561 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)C1 ZINC001307034747 1069751137 /nfs/dbraw/zinc/75/11/37/1069751137.db2.gz RDVWWQSMCGNMNU-VQTJNVASSA-N 1 1 494.105 3.989 20 0 JHADMO C[C@@H](NC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC001312153422 1069751958 /nfs/dbraw/zinc/75/19/58/1069751958.db2.gz LDHHWGUICWFDGD-FGZHOGPDSA-N 1 1 450.627 3.848 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307033793 1069749156 /nfs/dbraw/zinc/74/91/56/1069749156.db2.gz DPLXEDDBUHPASM-PZJWPPBQSA-N 1 1 469.634 3.566 20 0 JHADMO C[N@@H+](CCCOc1ccccc1CNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CCCC1 ZINC001312149635 1069749414 /nfs/dbraw/zinc/74/94/14/1069749414.db2.gz SAOCSLGTTBHBRN-AZUAARDMSA-N 1 1 457.537 3.642 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307034059 1069749650 /nfs/dbraw/zinc/74/96/50/1069749650.db2.gz HRSJBQMTHPTEBB-AOIWGVFYSA-N 1 1 452.525 3.536 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](COCC)C2)C1 ZINC001307035519 1069753406 /nfs/dbraw/zinc/75/34/06/1069753406.db2.gz VPJXUNHJRLTLRF-IAGOWNOFSA-N 1 1 465.440 3.630 20 0 JHADMO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753662 /nfs/dbraw/zinc/75/36/62/1069753662.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 1 1 475.081 3.877 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753670 /nfs/dbraw/zinc/75/36/70/1069753670.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 1 1 475.081 3.877 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307036389 1069755995 /nfs/dbraw/zinc/75/59/95/1069755995.db2.gz XYJMZHWFOQHGKA-WIYYLYMNSA-N 1 1 480.078 3.734 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001307036207 1069756045 /nfs/dbraw/zinc/75/60/45/1069756045.db2.gz MXYZLEMBZDXYBL-FCHUYYIVSA-N 1 1 468.646 3.742 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC001307037128 1069758335 /nfs/dbraw/zinc/75/83/35/1069758335.db2.gz SLKFRSLAFSFCRC-SFTDATJTSA-N 1 1 453.635 3.692 20 0 JHADMO C[C@@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCN1CC(C)(C)O ZINC001312160924 1069757735 /nfs/dbraw/zinc/75/77/35/1069757735.db2.gz NRKHRKACUDBEPG-HSZRJFAPSA-N 1 1 452.643 3.566 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(Cc3csc(CC)n3)CC2)C1 ZINC001307038127 1069760795 /nfs/dbraw/zinc/76/07/95/1069760795.db2.gz ABRQTNNEQJDSMH-FQEVSTJZSA-N 1 1 459.708 3.550 20 0 JHADMO 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 1069765436 /nfs/dbraw/zinc/76/54/36/1069765436.db2.gz CHVREZBSBGZDEZ-VIZSFHNOSA-N 1 1 498.672 3.639 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001314195646 1069770842 /nfs/dbraw/zinc/77/08/42/1069770842.db2.gz DURLLULRDYCTKK-NJDAHSKKSA-N 1 1 457.619 3.916 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001307042530 1069772000 /nfs/dbraw/zinc/77/20/00/1069772000.db2.gz JMLVDAJMSKEFGU-LRXVAGHRSA-N 1 1 473.584 3.781 20 0 JHADMO C[C@H](CCNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001312189194 1069772486 /nfs/dbraw/zinc/77/24/86/1069772486.db2.gz KKPWQMLRJQDETF-QFQXNSOFSA-N 1 1 452.599 3.997 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001307042617 1069772947 /nfs/dbraw/zinc/77/29/47/1069772947.db2.gz KLTLGVLSQUKOPB-OALUTQOASA-N 1 1 473.618 3.698 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](CC)C2)C1 ZINC001307042983 1069773667 /nfs/dbraw/zinc/77/36/67/1069773667.db2.gz MRTNZOOYTOSJNA-BDTNDASRSA-N 1 1 490.693 3.740 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001307044616 1069778833 /nfs/dbraw/zinc/77/88/33/1069778833.db2.gz HADUUVPIECHKRF-QZTJIDSGSA-N 1 1 478.435 3.577 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001307044657 1069779042 /nfs/dbraw/zinc/77/90/42/1069779042.db2.gz HXZLKYMUVLUCHG-SFTDATJTSA-N 1 1 478.682 3.630 20 0 JHADMO CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001312206398 1069781439 /nfs/dbraw/zinc/78/14/39/1069781439.db2.gz VWCWHFRVQXCLCM-QHCPKHFHSA-N 1 1 458.647 3.758 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1 ZINC001307045390 1069781751 /nfs/dbraw/zinc/78/17/51/1069781751.db2.gz WGZHADAYDZHHQO-QUCCMNQESA-N 1 1 471.646 3.669 20 0 JHADMO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001307046943 1069787661 /nfs/dbraw/zinc/78/76/61/1069787661.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 1 1 454.663 3.682 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001307046943 1069787669 /nfs/dbraw/zinc/78/76/69/1069787669.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 1 1 454.663 3.682 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 ZINC001307047221 1069788377 /nfs/dbraw/zinc/78/83/77/1069788377.db2.gz RIGICWPKWYYHTP-HXUWFJFHSA-N 1 1 470.687 3.573 20 0 JHADMO 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 1069790552 /nfs/dbraw/zinc/79/05/52/1069790552.db2.gz XZVFBHRSPAGQTL-MQSCRBSSSA-N 1 1 471.694 3.915 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCCC[C@@H](SCC)C3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001307047521 1069789691 /nfs/dbraw/zinc/78/96/91/1069789691.db2.gz UPABYGYSEXHUKZ-YZUZCNPQSA-N 1 1 465.708 3.774 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001307047543 1069789783 /nfs/dbraw/zinc/78/97/83/1069789783.db2.gz UZEUURVLSGTGRY-JOCHJYFZSA-N 1 1 484.714 3.963 20 0 JHADMO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307048113 1069792816 /nfs/dbraw/zinc/79/28/16/1069792816.db2.gz NHRQIHJJFLIIPU-PSWAGMNNSA-N 1 1 482.717 3.987 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCC(OCc4ccccc4)CC3)C2)cc(OC)c1 ZINC001312239135 1069800959 /nfs/dbraw/zinc/80/09/59/1069800959.db2.gz SZRTWULLKIPVCD-JOCHJYFZSA-N 1 1 453.583 3.669 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCC(OCc4ccccc4)CC3)C2)cc(OC)c1 ZINC001312239135 1069800980 /nfs/dbraw/zinc/80/09/80/1069800980.db2.gz SZRTWULLKIPVCD-JOCHJYFZSA-N 1 1 453.583 3.669 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)C2)cc(OC)c1 ZINC001312238782 1069801025 /nfs/dbraw/zinc/80/10/25/1069801025.db2.gz QBMULZWNXZMXGJ-WPWBMXPQSA-N 1 1 453.583 3.745 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)C2)cc(OC)c1 ZINC001312238782 1069801043 /nfs/dbraw/zinc/80/10/43/1069801043.db2.gz QBMULZWNXZMXGJ-WPWBMXPQSA-N 1 1 453.583 3.745 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001307051613 1069804079 /nfs/dbraw/zinc/80/40/79/1069804079.db2.gz QASLDNXSLMNKON-GOTSBHOMSA-N 1 1 452.647 3.750 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC(F)(F)c3cc(F)cc(F)c3)C2)cc(OC)c1 ZINC001312237979 1069800433 /nfs/dbraw/zinc/80/04/33/1069800433.db2.gz TVQFHDDMNHIJFV-GOSISDBHSA-N 1 1 455.452 3.648 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC(F)(F)c3cc(F)cc(F)c3)C2)cc(OC)c1 ZINC001312237979 1069800461 /nfs/dbraw/zinc/80/04/61/1069800461.db2.gz TVQFHDDMNHIJFV-GOSISDBHSA-N 1 1 455.452 3.648 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001307052583 1069808608 /nfs/dbraw/zinc/80/86/08/1069808608.db2.gz CNTAAJSKGFJYJH-YADHBBJMSA-N 1 1 489.064 3.912 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001307053211 1069810920 /nfs/dbraw/zinc/81/09/20/1069810920.db2.gz BHDABTXUIYNSII-ZWKOTPCHSA-N 1 1 489.462 3.639 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307053275 1069812150 /nfs/dbraw/zinc/81/21/50/1069812150.db2.gz CGPFEFNSPMJMPE-OAQYLSRUSA-N 1 1 485.629 3.616 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053704 1069813763 /nfs/dbraw/zinc/81/37/63/1069813763.db2.gz JNFGRVUGJRLBJV-WMZHIEFXSA-N 1 1 486.636 3.927 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312257015 1069814685 /nfs/dbraw/zinc/81/46/85/1069814685.db2.gz YGDBTMWYOGQQQM-UNMCSNQZSA-N 1 1 455.624 3.606 20 0 JHADMO Cc1ccc(S(=O)(=O)C2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312257015 1069814706 /nfs/dbraw/zinc/81/47/06/1069814706.db2.gz YGDBTMWYOGQQQM-UNMCSNQZSA-N 1 1 455.624 3.606 20 0 JHADMO CCOc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001314206258 1069817786 /nfs/dbraw/zinc/81/77/86/1069817786.db2.gz QTTSYKFJFAEVHR-UHFFFAOYSA-N 1 1 464.614 3.643 20 0 JHADMO CCOc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001314206258 1069817814 /nfs/dbraw/zinc/81/78/14/1069817814.db2.gz QTTSYKFJFAEVHR-UHFFFAOYSA-N 1 1 464.614 3.643 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1 ZINC001307054822 1069817920 /nfs/dbraw/zinc/81/79/20/1069817920.db2.gz MZQCJJOOBMPRRG-SFHVURJKSA-N 1 1 475.439 3.633 20 0 JHADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC001312264507 1069821665 /nfs/dbraw/zinc/82/16/65/1069821665.db2.gz DCIFEYGYCFLJDZ-FGZHOGPDSA-N 1 1 458.400 3.931 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001307055732 1069822350 /nfs/dbraw/zinc/82/23/50/1069822350.db2.gz RNSTUJJEYUGTDK-YPAWHYETSA-N 1 1 498.672 3.748 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001307055541 1069823298 /nfs/dbraw/zinc/82/32/98/1069823298.db2.gz PSTQBMSHPRODOQ-PZJWPPBQSA-N 1 1 459.038 3.825 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC ZINC001307055264 1069820945 /nfs/dbraw/zinc/82/09/45/1069820945.db2.gz ORPIKZPVJLLWOL-SFTDATJTSA-N 1 1 459.660 3.992 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001307055254 1069821008 /nfs/dbraw/zinc/82/10/08/1069821008.db2.gz OPHSGGNZDKRDMN-QGZVFWFLSA-N 1 1 465.429 3.843 20 0 JHADMO CCOc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001314209705 1069829304 /nfs/dbraw/zinc/82/93/04/1069829304.db2.gz WYGKYNOTRBYGGW-UHFFFAOYSA-N 1 1 457.667 3.717 20 0 JHADMO CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1OC(F)F ZINC001314209844 1069829417 /nfs/dbraw/zinc/82/94/17/1069829417.db2.gz JWXFLFVBFXKXFI-HKUYNNGSSA-N 1 1 479.572 3.751 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001307056817 1069829815 /nfs/dbraw/zinc/82/98/15/1069829815.db2.gz CEPGSDBAHNTMRG-HSZRJFAPSA-N 1 1 483.657 3.726 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057345 1069833035 /nfs/dbraw/zinc/83/30/35/1069833035.db2.gz IYGKPUIITTZPGH-BHIFYINESA-N 1 1 490.693 3.788 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057386 1069834620 /nfs/dbraw/zinc/83/46/20/1069834620.db2.gz JIUOOMFUUAWCSO-SFTDATJTSA-N 1 1 477.650 3.610 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC ZINC001307057415 1069834894 /nfs/dbraw/zinc/83/48/94/1069834894.db2.gz FNFUSWOIPLRXFO-KRWDZBQOSA-N 1 1 452.397 3.882 20 0 JHADMO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001307058171 1069836279 /nfs/dbraw/zinc/83/62/79/1069836279.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001307058171 1069836299 /nfs/dbraw/zinc/83/62/99/1069836299.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059176 1069843531 /nfs/dbraw/zinc/84/35/31/1069843531.db2.gz RCRYARCSEOKYDR-BJKOFHAPSA-N 1 1 482.673 3.843 20 0 JHADMO COCC[N@@H+]1[C@H](C)CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)C[C@@H]1C ZINC001312294990 1069843763 /nfs/dbraw/zinc/84/37/63/1069843763.db2.gz QNEIIUWAIDZLCB-BGYRXZFFSA-N 1 1 454.656 3.697 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 ZINC001307059314 1069844687 /nfs/dbraw/zinc/84/46/87/1069844687.db2.gz RPARTMIEQJPLOX-HSZRJFAPSA-N 1 1 485.673 3.977 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001307059703 1069846050 /nfs/dbraw/zinc/84/60/50/1069846050.db2.gz ZBJYYLITAJDPMG-HXUWFJFHSA-N 1 1 461.724 3.745 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307060012 1069847076 /nfs/dbraw/zinc/84/70/76/1069847076.db2.gz ZAABNXSJSVOUIT-VXKWHMMOSA-N 1 1 461.676 3.825 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001307061021 1069851728 /nfs/dbraw/zinc/85/17/28/1069851728.db2.gz DGBXCFNXQHCRKX-OAQYLSRUSA-N 1 1 468.646 3.523 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001314217489 1069854052 /nfs/dbraw/zinc/85/40/52/1069854052.db2.gz JTNCSDGWXSQJIT-PMACEKPBSA-N 1 1 457.619 3.744 20 0 JHADMO CCCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[N@H+]2CC)CC1=O ZINC001307061972 1069856663 /nfs/dbraw/zinc/85/66/63/1069856663.db2.gz RZTLBEWUWKWLLN-XZOQPEGZSA-N 1 1 482.673 3.968 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001307066907 1069876374 /nfs/dbraw/zinc/87/63/74/1069876374.db2.gz KYPAJHYPQQQCJW-WOJBJXKFSA-N 1 1 478.682 3.570 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001307065930 1069873481 /nfs/dbraw/zinc/87/34/81/1069873481.db2.gz GHTGKSHBIPFEJW-NNXSRULWSA-N 1 1 474.694 3.553 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@](C)(O)CC ZINC001314224731 1069887082 /nfs/dbraw/zinc/88/70/82/1069887082.db2.gz USGRPGQZHDRWIY-VWLOTQADSA-N 1 1 459.635 3.727 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001307069803 1069882995 /nfs/dbraw/zinc/88/29/95/1069882995.db2.gz UFQJBFRUDSHCTG-FQEVSTJZSA-N 1 1 464.655 3.573 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001314225426 1069890639 /nfs/dbraw/zinc/89/06/39/1069890639.db2.gz LNNQZBFDMBYSAY-GOSISDBHSA-N 1 1 499.685 3.984 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001314225958 1069893818 /nfs/dbraw/zinc/89/38/18/1069893818.db2.gz CSCVNZNVUSOZQD-VXKWHMMOSA-N 1 1 471.646 3.727 20 0 JHADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@]3(CO)CCc4ccccc43)c2c1C ZINC001307156632 1069901451 /nfs/dbraw/zinc/90/14/51/1069901451.db2.gz HHRXUFJPYMGOSJ-DEOSSOPVSA-N 1 1 454.596 3.526 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](CC)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314227709 1069903391 /nfs/dbraw/zinc/90/33/91/1069903391.db2.gz AOZRHFJKMCPGFC-SFTDATJTSA-N 1 1 457.619 3.603 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314229164 1069910540 /nfs/dbraw/zinc/91/05/40/1069910540.db2.gz QSXHKHXFXZPXFQ-JOCHJYFZSA-N 1 1 471.646 3.991 20 0 JHADMO 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CCOCc1nnc(N2CC[C@H](OCc3cccc(OC)c3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314353134 1070173090 /nfs/dbraw/zinc/17/30/90/1070173090.db2.gz VKDDIQDKFZQBGF-GOTSBHOMSA-N 1 1 471.646 3.739 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314353798 1070174668 /nfs/dbraw/zinc/17/46/68/1070174668.db2.gz CDSKLGFNMIQSFP-QFIPXVFZSA-N 1 1 457.619 3.515 20 0 JHADMO C[N@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)C2)C1 ZINC001307796450 1070186206 /nfs/dbraw/zinc/18/62/06/1070186206.db2.gz JZSVYWHHLXNWDC-JOCHJYFZSA-N 1 1 459.388 3.993 20 0 JHADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932789 1070186317 /nfs/dbraw/zinc/18/63/17/1070186317.db2.gz MTYZCJUUFIYZRO-PMACEKPBSA-N 1 1 455.521 3.681 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314362730 1070187419 /nfs/dbraw/zinc/18/74/19/1070187419.db2.gz BIUZCGJKKKCVGV-XMSQKQJNSA-N 1 1 472.037 3.888 20 0 JHADMO O=C(C[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)NCc1cc(F)cc(F)c1 ZINC001307811051 1070193995 /nfs/dbraw/zinc/19/39/95/1070193995.db2.gz HQIMATRZZCYNPI-KKSFZXQISA-N 1 1 453.327 3.789 20 0 JHADMO O=C(C[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)NCc1cc(F)cc(F)c1 ZINC001307811051 1070194001 /nfs/dbraw/zinc/19/40/01/1070194001.db2.gz HQIMATRZZCYNPI-KKSFZXQISA-N 1 1 453.327 3.789 20 0 JHADMO O=C(C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)NCc1cc(F)cc(F)c1 ZINC001307811048 1070194039 /nfs/dbraw/zinc/19/40/39/1070194039.db2.gz HQIMATRZZCYNPI-HRAATJIYSA-N 1 1 453.327 3.789 20 0 JHADMO O=C(C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)NCc1cc(F)cc(F)c1 ZINC001307811048 1070194045 /nfs/dbraw/zinc/19/40/45/1070194045.db2.gz HQIMATRZZCYNPI-HRAATJIYSA-N 1 1 453.327 3.789 20 0 JHADMO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCOC(C)(C)C1 ZINC001307810587 1070194076 /nfs/dbraw/zinc/19/40/76/1070194076.db2.gz CYNZVPLKDJFOBM-SFHVURJKSA-N 1 1 453.539 3.886 20 0 JHADMO 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CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2Cl)CC1 ZINC001313645858 1070804625 /nfs/dbraw/zinc/80/46/25/1070804625.db2.gz QPWFMFJBIOKRID-UHFFFAOYSA-N 1 1 479.044 3.797 20 0 JHADMO CN(Cc1c(F)cccc1Cl)c1nnc([C@H]2CCCO2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314670421 1070811663 /nfs/dbraw/zinc/81/16/63/1070811663.db2.gz FJZISRAEMMNOAH-JOCHJYFZSA-N 1 1 479.044 3.832 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001313647859 1070812526 /nfs/dbraw/zinc/81/25/26/1070812526.db2.gz OFAGZXCORRSRSK-UHFFFAOYSA-N 1 1 477.028 3.767 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001313647859 1070812557 /nfs/dbraw/zinc/81/25/57/1070812557.db2.gz OFAGZXCORRSRSK-UHFFFAOYSA-N 1 1 477.028 3.767 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001314672059 1070816842 /nfs/dbraw/zinc/81/68/42/1070816842.db2.gz PJJVSSMTGOLRFE-UHFFFAOYSA-N 1 1 480.579 3.505 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314692362 1070851866 /nfs/dbraw/zinc/85/18/66/1070851866.db2.gz AGICNOHSHFAFAA-GFJKYASSSA-N 1 1 457.688 3.879 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001313657658 1070856619 /nfs/dbraw/zinc/85/66/19/1070856619.db2.gz NEYVEBPPHSDEHP-LEWJYISDSA-N 1 1 475.081 3.877 20 0 JHADMO Cc1cc(Br)c(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)cc1Br ZINC001309576554 1070865641 /nfs/dbraw/zinc/86/56/41/1070865641.db2.gz IKFXWNSOVQSBPM-UHFFFAOYSA-N 1 1 454.228 3.673 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC001309594157 1070873994 /nfs/dbraw/zinc/87/39/94/1070873994.db2.gz VOJSTEJQQGDTBK-SJLPKXTDSA-N 1 1 473.422 3.817 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001314706425 1070876209 /nfs/dbraw/zinc/87/62/09/1070876209.db2.gz BLBUMVKSOSAHQH-UHFFFAOYSA-N 1 1 491.478 3.933 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccn2C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314707332 1070878412 /nfs/dbraw/zinc/87/84/12/1070878412.db2.gz JYYZXLIEARNWII-QHCPKHFHSA-N 1 1 491.684 3.937 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314709263 1070885194 /nfs/dbraw/zinc/88/51/94/1070885194.db2.gz ZJPIRGVMTAIWHB-QFIPXVFZSA-N 1 1 479.673 3.822 20 0 JHADMO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314711626 1070893178 /nfs/dbraw/zinc/89/31/78/1070893178.db2.gz JPCLFZQFPPVIAB-RTWAWAEBSA-N 1 1 490.599 3.993 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1C/C=C\c1ccccc1 ZINC001314712610 1070898049 /nfs/dbraw/zinc/89/80/49/1070898049.db2.gz RYNFLHXHSWMLND-WQLSENKSSA-N 1 1 460.626 3.772 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCc1cc(F)cc(F)c1 ZINC001314713342 1070900952 /nfs/dbraw/zinc/90/09/52/1070900952.db2.gz GQZJMIIFOZJVGT-QFIPXVFZSA-N 1 1 477.600 3.835 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001314714407 1070903136 /nfs/dbraw/zinc/90/31/36/1070903136.db2.gz ULMHMJUSQBYICC-QRVBRYPASA-N 1 1 473.584 3.870 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001314714404 1070903353 /nfs/dbraw/zinc/90/33/53/1070903353.db2.gz ULMHMJUSQBYICC-CEXWTWQISA-N 1 1 473.584 3.870 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCc1c(F)cccc1F ZINC001314714796 1070903898 /nfs/dbraw/zinc/90/38/98/1070903898.db2.gz XSZKSUCIKQHIIL-UHFFFAOYSA-N 1 1 472.584 3.599 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)CCCO1 ZINC001314714742 1070904034 /nfs/dbraw/zinc/90/40/34/1070904034.db2.gz WVLCZOMVFXZONI-XMMPIXPASA-N 1 1 462.038 3.962 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1Cc1cnn(Cc2ccccc2)c1 ZINC001314715824 1070905621 /nfs/dbraw/zinc/90/56/21/1070905621.db2.gz NNHDSVUQKARQFZ-UHFFFAOYSA-N 1 1 479.673 3.663 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCCC1=O ZINC001314716175 1070906097 /nfs/dbraw/zinc/90/60/97/1070906097.db2.gz TZTGSPGBHBFJMK-UHFFFAOYSA-N 1 1 496.700 3.541 20 0 JHADMO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC001309659885 1070908594 /nfs/dbraw/zinc/90/85/94/1070908594.db2.gz WLSCFHPYMRXLFG-HXUWFJFHSA-N 1 1 451.430 3.836 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(C)(=O)=O)c1)c1ccsc1 ZINC001313675096 1070913965 /nfs/dbraw/zinc/91/39/65/1070913965.db2.gz MKTKNTVXQXKWCA-FQEVSTJZSA-N 1 1 499.666 3.970 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313675755 1070918229 /nfs/dbraw/zinc/91/82/29/1070918229.db2.gz BIEUSKQRGPEEJO-ROUUACIJSA-N 1 1 487.642 3.560 20 0 JHADMO Cc1cc(S(=O)(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)ccc1C(F)(F)F ZINC001309684498 1070921299 /nfs/dbraw/zinc/92/12/99/1070921299.db2.gz QLWHUAFTOOCKTD-UHFFFAOYSA-N 1 1 453.530 3.647 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314723933 1070924575 /nfs/dbraw/zinc/92/45/75/1070924575.db2.gz ZOFZFJUGLQYYTG-OAQYLSRUSA-N 1 1 472.996 3.540 20 0 JHADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314726511 1070934287 /nfs/dbraw/zinc/93/42/87/1070934287.db2.gz GHOYXTHCTKOIIM-RTWAWAEBSA-N 1 1 492.462 3.765 20 0 JHADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001314726512 1070934316 /nfs/dbraw/zinc/93/43/16/1070934316.db2.gz GHOYXTHCTKOIIM-SFTDATJTSA-N 1 1 492.462 3.765 20 0 JHADMO CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@@H]2CCCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314727738 1070939428 /nfs/dbraw/zinc/93/94/28/1070939428.db2.gz DQCUSQGIXVIHNZ-NRFANRHFSA-N 1 1 479.044 3.975 20 0 JHADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314730966 1070949224 /nfs/dbraw/zinc/94/92/24/1070949224.db2.gz KTKNSWIWNUFMSL-WOJBJXKFSA-N 1 1 467.536 3.632 20 0 JHADMO CCC1CCN(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC001309749416 1070952349 /nfs/dbraw/zinc/95/23/49/1070952349.db2.gz NBFBMJIIPSVODX-LOSJGSFVSA-N 1 1 457.640 3.620 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccccc2OC)cc1 ZINC001309749091 1070952433 /nfs/dbraw/zinc/95/24/33/1070952433.db2.gz IPNVPXORSXBJSA-XZOQPEGZSA-N 1 1 452.576 3.650 20 0 JHADMO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC001309755439 1070955189 /nfs/dbraw/zinc/95/51/89/1070955189.db2.gz SPEUMMCORJYHIZ-NVXWUHKLSA-N 1 1 451.976 3.565 20 0 JHADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cccn2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314733463 1070955501 /nfs/dbraw/zinc/95/55/01/1070955501.db2.gz CCCUWTGJVDYVEB-IBGZPJMESA-N 1 1 475.012 3.949 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001313694367 1070956529 /nfs/dbraw/zinc/95/65/29/1070956529.db2.gz IVTRVCSBAFXTOL-DEOSSOPVSA-N 1 1 468.690 3.921 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001313695267 1070959423 /nfs/dbraw/zinc/95/94/23/1070959423.db2.gz LDKIRWMQZNRZIO-JOCHJYFZSA-N 1 1 451.619 3.855 20 0 JHADMO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001309814735 1070979867 /nfs/dbraw/zinc/97/98/67/1070979867.db2.gz JBICKXWXQBIBBO-QFIPXVFZSA-N 1 1 458.624 3.812 20 0 JHADMO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)C)CC2)cc1 ZINC001313705253 1070992463 /nfs/dbraw/zinc/99/24/63/1070992463.db2.gz PGONZHOVXIWRRI-XMMPIXPASA-N 1 1 454.663 3.593 20 0 JHADMO CN(Cc1ccccc1N1CCCC1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001314750025 1071001158 /nfs/dbraw/zinc/00/11/58/1071001158.db2.gz GIEFIRDWGUIFOC-UHFFFAOYSA-N 1 1 454.663 3.923 20 0 JHADMO CN(Cc1ccccc1N1CCCC1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001314750025 1071001175 /nfs/dbraw/zinc/00/11/75/1071001175.db2.gz GIEFIRDWGUIFOC-UHFFFAOYSA-N 1 1 454.663 3.923 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)C1 ZINC001314750565 1071002262 /nfs/dbraw/zinc/00/22/62/1071002262.db2.gz UNYDIEPXYZUKJT-FQEVSTJZSA-N 1 1 450.635 3.681 20 0 JHADMO O=S(=O)(NCC1(Br)CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309880989 1071003938 /nfs/dbraw/zinc/00/39/38/1071003938.db2.gz ISGKBFUECLHPLU-VQTJNVASSA-N 1 1 467.404 3.641 20 0 JHADMO CN(Cc1ccoc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314766813 1071029049 /nfs/dbraw/zinc/02/90/49/1071029049.db2.gz CQHWRMVIFZGUMI-NRFANRHFSA-N 1 1 471.627 3.698 20 0 JHADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001314772012 1071037615 /nfs/dbraw/zinc/03/76/15/1071037615.db2.gz QHKZPAADCCYTFE-UHFFFAOYSA-N 1 1 460.570 3.701 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313728210 1071038842 /nfs/dbraw/zinc/03/88/42/1071038842.db2.gz DBOYOOAFAULFOG-UHFFFAOYSA-N 1 1 483.611 3.979 20 0 JHADMO 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C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309991553 1071041929 /nfs/dbraw/zinc/04/19/29/1071041929.db2.gz KMRSCJAAPPTNGP-VGOFRKELSA-N 1 1 456.974 3.878 20 0 JHADMO C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309991553 1071041936 /nfs/dbraw/zinc/04/19/36/1071041936.db2.gz KMRSCJAAPPTNGP-VGOFRKELSA-N 1 1 456.974 3.878 20 0 JHADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccncc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001314775075 1071044936 /nfs/dbraw/zinc/04/49/36/1071044936.db2.gz JVCYBZVTOOLBCL-UHFFFAOYSA-N 1 1 471.053 3.942 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001313731016 1071046065 /nfs/dbraw/zinc/04/60/65/1071046065.db2.gz DJSUINAGFLGYOE-DOTOQJQBSA-N 1 1 451.040 3.845 20 0 JHADMO 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 1071047110 /nfs/dbraw/zinc/04/71/10/1071047110.db2.gz LAMAAKLSYAKXGF-JZXOWHBKSA-N 1 1 495.093 3.858 20 0 JHADMO 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C[N@H+]1CCN(CCCNC(=O)Nc2ccc(N3CCSCC3)cc2)[C@H](c2ccccc2)C1 ZINC001310345588 1071328084 /nfs/dbraw/zinc/32/80/84/1071328084.db2.gz MOAYXYIIOQWGBV-DEOSSOPVSA-N 1 1 453.656 3.740 20 0 JHADMO Cn1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC001314904827 1071342888 /nfs/dbraw/zinc/34/28/88/1071342888.db2.gz BGAMJQPKFMMTPL-UHFFFAOYSA-N 1 1 458.010 3.603 20 0 JHADMO Cn1cc(C[N@H+]2CCCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccccc3Cl)CC2)cn1 ZINC001314905491 1071344612 /nfs/dbraw/zinc/34/46/12/1071344612.db2.gz ZDVOZOSDVBXJMC-VWLOTQADSA-N 1 1 486.064 3.583 20 0 JHADMO CNC(=O)c1cc(Oc2cc(NC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)ccc2C)ccn1 ZINC001310376105 1071350925 /nfs/dbraw/zinc/35/09/25/1071350925.db2.gz AHJDXPQKUGZOQE-UHFFFAOYSA-N 1 1 459.550 3.890 20 0 JHADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCc3oc4ccc(F)cc4c3C)cc2)CC1 ZINC001310386298 1071358172 /nfs/dbraw/zinc/35/81/72/1071358172.db2.gz MOKARDLHZZWUGI-UHFFFAOYSA-N 1 1 452.530 3.909 20 0 JHADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)c3ccc4ncsc4c3)cc2)CC1 ZINC001310386899 1071359316 /nfs/dbraw/zinc/35/93/16/1071359316.db2.gz SDWJCQQTHCQOFW-QGZVFWFLSA-N 1 1 451.596 3.886 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313858738 1071361373 /nfs/dbraw/zinc/36/13/73/1071361373.db2.gz HRQLMRCYEGIXJZ-SJORKVTESA-N 1 1 464.536 3.500 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313858952 1071361742 /nfs/dbraw/zinc/36/17/42/1071361742.db2.gz CVGOVUJEGNNRRV-RTWAWAEBSA-N 1 1 498.697 3.936 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362042 /nfs/dbraw/zinc/36/20/42/1071362042.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 1 1 454.663 3.589 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314922710 1071366092 /nfs/dbraw/zinc/36/60/92/1071366092.db2.gz GVYCNUDTWCLLFV-IBGZPJMESA-N 1 1 497.850 3.521 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)C[C@H]1C ZINC001313859713 1071364593 /nfs/dbraw/zinc/36/45/93/1071364593.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 1 1 456.610 3.738 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)C[C@H]1C ZINC001313859713 1071364597 /nfs/dbraw/zinc/36/45/97/1071364597.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 1 1 456.610 3.738 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@@H]1C ZINC001313859620 1071365248 /nfs/dbraw/zinc/36/52/48/1071365248.db2.gz HHPWMCWFEPBFAT-RBUKOAKNSA-N 1 1 494.478 3.988 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001313859781 1071365472 /nfs/dbraw/zinc/36/54/72/1071365472.db2.gz IBZUJIBMZGRADB-ZMQDVRLBSA-N 1 1 477.650 3.777 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001313859781 1071365481 /nfs/dbraw/zinc/36/54/81/1071365481.db2.gz IBZUJIBMZGRADB-ZMQDVRLBSA-N 1 1 477.650 3.777 20 0 JHADMO Cn1cccc1-c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCOCC(F)F ZINC001314917775 1071360732 /nfs/dbraw/zinc/36/07/32/1071360732.db2.gz MJXITXNUOFPUJO-UHFFFAOYSA-N 1 1 458.557 3.668 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365646 /nfs/dbraw/zinc/36/56/46/1071365646.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 1 1 468.690 3.882 20 0 JHADMO 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 1071367394 /nfs/dbraw/zinc/36/73/94/1071367394.db2.gz KJJFDFCPVMAXLI-OALUTQOASA-N 1 1 476.691 3.551 20 0 JHADMO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314925001 1071367450 /nfs/dbraw/zinc/36/74/50/1071367450.db2.gz YSNAECMHAZKCMT-FQEVSTJZSA-N 1 1 480.407 3.611 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001313860093 1071367691 /nfs/dbraw/zinc/36/76/91/1071367691.db2.gz IZPUGAWUMJGNJS-STQMWFEESA-N 1 1 457.367 4.000 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314926219 1071369331 /nfs/dbraw/zinc/36/93/31/1071369331.db2.gz DHKMAILQOOBLDP-OAQYLSRUSA-N 1 1 458.695 3.826 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314926809 1071369970 /nfs/dbraw/zinc/36/99/70/1071369970.db2.gz FINVRBYQBYBIIX-SFHVURJKSA-N 1 1 464.536 3.808 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@H]1C ZINC001313860912 1071371979 /nfs/dbraw/zinc/37/19/79/1071371979.db2.gz NEXQEHPXORRWNA-CVEARBPZSA-N 1 1 450.425 3.706 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001314928914 1071371224 /nfs/dbraw/zinc/37/12/24/1071371224.db2.gz QCUXCUGVRWDGBE-OAQYLSRUSA-N 1 1 458.695 3.968 20 0 JHADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001310408737 1071372547 /nfs/dbraw/zinc/37/25/47/1071372547.db2.gz SRVNSVHDLZMAEN-MSYCTHLASA-N 1 1 458.628 3.796 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001314929558 1071372658 /nfs/dbraw/zinc/37/26/58/1071372658.db2.gz VQBCPDGHAVUZHU-HXUWFJFHSA-N 1 1 480.078 3.732 20 0 JHADMO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001310412350 1071375716 /nfs/dbraw/zinc/37/57/16/1071375716.db2.gz QZXSWCANMPYRMA-UHFFFAOYSA-N 1 1 459.587 3.890 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313863347 1071381422 /nfs/dbraw/zinc/38/14/22/1071381422.db2.gz DBRRFDVMGDWNMP-QTEQDKRBSA-N 1 1 475.081 3.874 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313863347 1071381439 /nfs/dbraw/zinc/38/14/39/1071381439.db2.gz DBRRFDVMGDWNMP-QTEQDKRBSA-N 1 1 475.081 3.874 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863674 1071382407 /nfs/dbraw/zinc/38/24/07/1071382407.db2.gz WJWFYYOWEQSYGP-NHCUHLMSSA-N 1 1 478.645 3.661 20 0 JHADMO 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CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313864273 1071386318 /nfs/dbraw/zinc/38/63/18/1071386318.db2.gz BWWCTZUSEXFAGL-WSTZPKSXSA-N 1 1 493.599 3.944 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313864545 1071386985 /nfs/dbraw/zinc/38/69/85/1071386985.db2.gz FZJBQOPKGIAGHM-SJORKVTESA-N 1 1 471.005 3.978 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314937475 1071387895 /nfs/dbraw/zinc/38/78/95/1071387895.db2.gz WIRTYUUIDTVUDM-NRFANRHFSA-N 1 1 496.059 3.867 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001314938117 1071388855 /nfs/dbraw/zinc/38/88/55/1071388855.db2.gz VMYFVWAKUSPIDH-REWPJTCUSA-N 1 1 475.641 3.602 20 0 JHADMO 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 1071391329 /nfs/dbraw/zinc/39/13/29/1071391329.db2.gz WNTKDWWFKBYLAY-CEXWTWQISA-N 1 1 474.625 3.781 20 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CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@@H]1C ZINC001313874762 1071430602 /nfs/dbraw/zinc/43/06/02/1071430602.db2.gz KBDDVWIMXPIOON-PMACEKPBSA-N 1 1 482.654 3.576 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001313876867 1071439365 /nfs/dbraw/zinc/43/93/65/1071439365.db2.gz SNYWXXIKQQRFHA-HSALFYBXSA-N 1 1 452.578 3.789 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313875487 1071434797 /nfs/dbraw/zinc/43/47/97/1071434797.db2.gz LYCVRXGBMFXZBW-SFTDATJTSA-N 1 1 468.646 3.533 20 0 JHADMO 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 1071443215 /nfs/dbraw/zinc/44/32/15/1071443215.db2.gz XWBVWOKYCJNIAO-CUXKYVRBSA-N 1 1 483.661 3.905 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313879026 1071446736 /nfs/dbraw/zinc/44/67/36/1071446736.db2.gz XYUSSVVRFOSSGY-CABCVRRESA-N 1 1 465.549 3.706 20 0 JHADMO 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472.634 3.917 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCC2)C1 ZINC001313884688 1071465006 /nfs/dbraw/zinc/46/50/06/1071465006.db2.gz RNRUCTXVCZNUKO-HXUWFJFHSA-N 1 1 459.038 3.830 20 0 JHADMO CCN(CC1CCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001313884934 1071465042 /nfs/dbraw/zinc/46/50/42/1071465042.db2.gz VHLVMYYAFPQXJW-FQEVSTJZSA-N 1 1 459.038 3.830 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001313885401 1071467214 /nfs/dbraw/zinc/46/72/14/1071467214.db2.gz OWGFONRKOCIDQQ-XQBPLPMBSA-N 1 1 459.635 3.846 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001313885824 1071468226 /nfs/dbraw/zinc/46/82/26/1071468226.db2.gz PXLIBPCZWGKWMR-MYGLTJDJSA-N 1 1 471.646 3.990 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886067 1071468902 /nfs/dbraw/zinc/46/89/02/1071468902.db2.gz LXOGPISIJAVWKR-PMACEKPBSA-N 1 1 484.645 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JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(Br)cc2C1 ZINC001313892017 1071486333 /nfs/dbraw/zinc/48/63/33/1071486333.db2.gz BEKFRANORBERGN-LAUBAEHRSA-N 1 1 492.462 3.812 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313893994 1071491862 /nfs/dbraw/zinc/49/18/62/1071491862.db2.gz RQAZLJHWRGMOCS-NHCUHLMSSA-N 1 1 486.636 3.736 20 0 JHADMO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+](C)C3CCCCC3)C2)n1 ZINC001314984173 1071490368 /nfs/dbraw/zinc/49/03/68/1071490368.db2.gz BNXFOQWWXRIYHQ-JOCHJYFZSA-N 1 1 484.693 3.529 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 ZINC001313893613 1071490794 /nfs/dbraw/zinc/49/07/94/1071490794.db2.gz OZVCEMGWMLBYRN-DLBZAZTESA-N 1 1 478.435 3.673 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001313893593 1071490847 /nfs/dbraw/zinc/49/08/47/1071490847.db2.gz OSUPDEJPTUXGPC-FMWKFLBASA-N 1 1 463.648 3.514 20 0 JHADMO 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CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001314994692 1071511487 /nfs/dbraw/zinc/51/14/87/1071511487.db2.gz NVASDWWNFBZTMQ-WOJBJXKFSA-N 1 1 482.673 3.600 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513354 /nfs/dbraw/zinc/51/33/54/1071513354.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313904313 1071517540 /nfs/dbraw/zinc/51/75/40/1071517540.db2.gz TURVFRIZKSZDTC-YADHBBJMSA-N 1 1 452.647 3.726 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313905029 1071520524 /nfs/dbraw/zinc/52/05/24/1071520524.db2.gz SNFJLTVLOJBDJX-IBGZPJMESA-N 1 1 456.660 3.937 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315001002 1071523842 /nfs/dbraw/zinc/52/38/42/1071523842.db2.gz ASSDODFCGXZXCV-OYRHEFFESA-N 1 1 458.695 3.731 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313906420 1071524247 /nfs/dbraw/zinc/52/42/47/1071524247.db2.gz QUAPQJMRPLRBIC-IBGZPJMESA-N 1 1 456.610 3.552 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313905941 1071522940 /nfs/dbraw/zinc/52/29/40/1071522940.db2.gz WETKABXWTAVOQB-TZIWHRDSSA-N 1 1 469.630 3.638 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001313907057 1071525884 /nfs/dbraw/zinc/52/58/84/1071525884.db2.gz WEBYHRNFHFWQSE-CEXWTWQISA-N 1 1 478.707 3.865 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 ZINC001313908624 1071530132 /nfs/dbraw/zinc/53/01/32/1071530132.db2.gz AAQDUDNJPUUTNU-HXUWFJFHSA-N 1 1 478.707 3.820 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908532 1071530314 /nfs/dbraw/zinc/53/03/14/1071530314.db2.gz CYWDCPFCCNPEKI-PMACEKPBSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313910637 1071536559 /nfs/dbraw/zinc/53/65/59/1071536559.db2.gz XUMYZPSSPXXIAW-HSZRJFAPSA-N 1 1 453.631 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001313910093 1071534112 /nfs/dbraw/zinc/53/41/12/1071534112.db2.gz UYGRLCPRLIDNLR-DUXKGJEZSA-N 1 1 492.462 3.822 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313910139 1071534636 /nfs/dbraw/zinc/53/46/36/1071534636.db2.gz VEJNCNUSCHFQSC-NZQKXSOJSA-N 1 1 480.579 3.668 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313910451 1071535301 /nfs/dbraw/zinc/53/53/01/1071535301.db2.gz KFZYQBYKGSKZPM-GOSISDBHSA-N 1 1 483.558 3.545 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313910584 1071535987 /nfs/dbraw/zinc/53/59/87/1071535987.db2.gz XCISZNVTXZLXDZ-RTBURBONSA-N 1 1 463.001 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313911998 1071538982 /nfs/dbraw/zinc/53/89/82/1071538982.db2.gz GPUDZHHBJLUJNE-RBUKOAKNSA-N 1 1 498.569 3.943 20 0 JHADMO 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 1071540112 /nfs/dbraw/zinc/54/01/12/1071540112.db2.gz HPKWHOJSMQZIKV-NCXUSEDFSA-N 1 1 473.584 3.839 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001315024235 1071546745 /nfs/dbraw/zinc/54/67/45/1071546745.db2.gz OCPLNVUCZSDMMX-UHFFFAOYSA-N 1 1 470.637 3.625 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313913368 1071542946 /nfs/dbraw/zinc/54/29/46/1071542946.db2.gz XUNAGAYIMACXLU-UXHICEINSA-N 1 1 469.634 3.708 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913599 1071543838 /nfs/dbraw/zinc/54/38/38/1071543838.db2.gz QCMYVGSBOBNUKC-IFMALSPDSA-N 1 1 477.650 3.609 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916499 1071553101 /nfs/dbraw/zinc/55/31/01/1071553101.db2.gz YGJDZVCSDJBIHX-KNQAVFIVSA-N 1 1 473.584 3.972 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919582 1071557603 /nfs/dbraw/zinc/55/76/03/1071557603.db2.gz CRGUVOOMQOUIIE-HKUYNNGSSA-N 1 1 480.629 3.514 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001313920674 1071559436 /nfs/dbraw/zinc/55/94/36/1071559436.db2.gz LKFHJYROTWZACP-JOCHJYFZSA-N 1 1 453.679 3.664 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313920998 1071560782 /nfs/dbraw/zinc/56/07/82/1071560782.db2.gz NJDFCDYTRFCBTQ-LJQANCHMSA-N 1 1 484.670 3.686 20 0 JHADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921492 1071561869 /nfs/dbraw/zinc/56/18/69/1071561869.db2.gz MXAIFPYBNDJRQB-GGAORHGYSA-N 1 1 482.673 3.653 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313922338 1071564515 /nfs/dbraw/zinc/56/45/15/1071564515.db2.gz VTIHYPMTPPHSEK-SFTDATJTSA-N 1 1 470.662 3.615 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001315034707 1071567006 /nfs/dbraw/zinc/56/70/06/1071567006.db2.gz KAHSFSRTRMBAIM-WZONZLPQSA-N 1 1 482.654 3.671 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C/C=C\c3ccccc3)CC2)CC1 ZINC001313923612 1071567344 /nfs/dbraw/zinc/56/73/44/1071567344.db2.gz RENAZEGCZOAUIT-FLIBITNWSA-N 1 1 478.685 3.961 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC(C)(C)c3ccccn3)CC2)CC1 ZINC001313923821 1071568099 /nfs/dbraw/zinc/56/80/99/1071568099.db2.gz URBWHXDLJIDOTC-UHFFFAOYSA-N 1 1 481.689 3.545 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313924844 1071572032 /nfs/dbraw/zinc/57/20/32/1071572032.db2.gz JUVUIKUHDVOADN-IBGZPJMESA-N 1 1 468.671 3.986 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313925368 1071573272 /nfs/dbraw/zinc/57/32/72/1071573272.db2.gz PDOATOWCVUBGEV-OALUTQOASA-N 1 1 471.650 3.807 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313925761 1071574900 /nfs/dbraw/zinc/57/49/00/1071574900.db2.gz AGMFSZNTIMNMBB-FCHUYYIVSA-N 1 1 477.657 3.881 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926356 1071576419 /nfs/dbraw/zinc/57/64/19/1071576419.db2.gz FKBHHMYZASEDRP-MRXNPFEDSA-N 1 1 481.508 3.717 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cccs2)CC1 ZINC001313926772 1071577587 /nfs/dbraw/zinc/57/75/87/1071577587.db2.gz XYJBXJBCRBYNKG-LJQANCHMSA-N 1 1 454.644 3.678 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927760 1071581336 /nfs/dbraw/zinc/58/13/36/1071581336.db2.gz LUKPAQQIJKYCKG-NOZRDPDXSA-N 1 1 452.691 3.962 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315057287 1071582388 /nfs/dbraw/zinc/58/23/88/1071582388.db2.gz QMJCCJSRHAKWTA-LJQANCHMSA-N 1 1 474.053 3.572 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)C1 ZINC001315077427 1071588470 /nfs/dbraw/zinc/58/84/70/1071588470.db2.gz IUOWNQGCXLLRCX-MSOLQXFVSA-N 1 1 459.660 3.861 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001315084151 1071592577 /nfs/dbraw/zinc/59/25/77/1071592577.db2.gz IKYBANONNYCWFE-NRFANRHFSA-N 1 1 469.630 3.738 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001313931539 1071592386 /nfs/dbraw/zinc/59/23/86/1071592386.db2.gz FHAKINOCVKETTQ-CYFREDJKSA-N 1 1 476.691 3.672 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001315081963 1071590719 /nfs/dbraw/zinc/59/07/19/1071590719.db2.gz PIGXFHJDWONTMR-RBBKRZOGSA-N 1 1 464.614 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313930956 1071591179 /nfs/dbraw/zinc/59/11/79/1071591179.db2.gz OWCIMGJNWJHRBF-ZWKOTPCHSA-N 1 1 486.558 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313933416 1071597611 /nfs/dbraw/zinc/59/76/11/1071597611.db2.gz LKLPFAVXAYEESO-SFHVURJKSA-N 1 1 489.462 3.641 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931854 1071594277 /nfs/dbraw/zinc/59/42/77/1071594277.db2.gz ZYVGKGDOEMKZKI-LJQANCHMSA-N 1 1 486.039 3.719 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001313932369 1071595096 /nfs/dbraw/zinc/59/50/96/1071595096.db2.gz VGXGZWWFNSEAHP-SVFBPWRDSA-N 1 1 489.064 3.860 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313932557 1071595801 /nfs/dbraw/zinc/59/58/01/1071595801.db2.gz IHTBSALGUJSVKW-OSPHWJPCSA-N 1 1 481.563 3.509 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313934750 1071603558 /nfs/dbraw/zinc/60/35/58/1071603558.db2.gz VLJAVSDSRWPIBO-OAQYLSRUSA-N 1 1 468.690 3.884 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001313933899 1071599771 /nfs/dbraw/zinc/59/97/71/1071599771.db2.gz OKKSKXGTNXLQDU-SBUREZEXSA-N 1 1 466.001 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313934243 1071601932 /nfs/dbraw/zinc/60/19/32/1071601932.db2.gz QSIBLCJBRCSAHD-JKSUJKDBSA-N 1 1 466.399 3.804 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934720 1071603094 /nfs/dbraw/zinc/60/30/94/1071603094.db2.gz VCVCCTUTSYJMJP-GCJKJVERSA-N 1 1 452.603 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313935047 1071604308 /nfs/dbraw/zinc/60/43/08/1071604308.db2.gz VLGHHJCOHULDEL-HNNXBMFYSA-N 1 1 466.399 3.682 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313935597 1071606617 /nfs/dbraw/zinc/60/66/17/1071606617.db2.gz IVSNVDLIRNUZCK-INIZCTEOSA-N 1 1 471.403 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)C[C@H]1C ZINC001313936227 1071607881 /nfs/dbraw/zinc/60/78/81/1071607881.db2.gz NQVVZDQQXOHRBT-QGZVFWFLSA-N 1 1 472.435 3.833 20 0 JHADMO 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 1071608517 /nfs/dbraw/zinc/60/85/17/1071608517.db2.gz OFIWTGDCGISHCC-HAGHYFMRSA-N 1 1 457.619 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001313937863 1071611553 /nfs/dbraw/zinc/61/15/53/1071611553.db2.gz WNJSAELSMBFQQL-QGZVFWFLSA-N 1 1 487.004 3.620 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313940536 1071615624 /nfs/dbraw/zinc/61/56/24/1071615624.db2.gz NGONWNSLGBXMNI-KRWDZBQOSA-N 1 1 458.969 3.666 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313939007 1071612641 /nfs/dbraw/zinc/61/26/41/1071612641.db2.gz ZQBSENKGRUYRBF-YPAWHYETSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313940502 1071614714 /nfs/dbraw/zinc/61/47/14/1071614714.db2.gz MRSSWMSKTWURCY-KRWDZBQOSA-N 1 1 485.430 3.614 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001313941320 1071616961 /nfs/dbraw/zinc/61/69/61/1071616961.db2.gz BJFSMDFGAWFLDI-QHCPKHFHSA-N 1 1 498.716 3.930 20 0 JHADMO 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 1071618146 /nfs/dbraw/zinc/61/81/46/1071618146.db2.gz AMNQDNUPAHLNPB-SLFFLAALSA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313941837 1071618208 /nfs/dbraw/zinc/61/82/08/1071618208.db2.gz YBYQVWZJUPGFHG-OALUTQOASA-N 1 1 476.691 3.964 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Sc2ccccc2)C[C@H]1C ZINC001313943068 1071621908 /nfs/dbraw/zinc/62/19/08/1071621908.db2.gz PDHIQQCMKYALEP-RTWAWAEBSA-N 1 1 453.660 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313943475 1071623140 /nfs/dbraw/zinc/62/31/40/1071623140.db2.gz STGSUYWAMVZXJF-VGOFRKELSA-N 1 1 451.537 3.916 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313943623 1071623252 /nfs/dbraw/zinc/62/32/52/1071623252.db2.gz UJTZSUYNCROEDX-CTNGQTDRSA-N 1 1 461.701 3.853 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCOCC2)C[C@H]1C ZINC001313943959 1071623745 /nfs/dbraw/zinc/62/37/45/1071623745.db2.gz XNYLOFWHLBJRPL-HSZRJFAPSA-N 1 1 484.689 3.542 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313944219 1071624486 /nfs/dbraw/zinc/62/44/86/1071624486.db2.gz BYYQHGRNQMQXJH-GOSISDBHSA-N 1 1 469.431 3.914 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CC[C@@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946406 1071628475 /nfs/dbraw/zinc/62/84/75/1071628475.db2.gz BQDMYGOVPRKJHF-VWNXMTODSA-N 1 1 468.690 3.895 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C[C@H]1C ZINC001313947128 1071631212 /nfs/dbraw/zinc/63/12/12/1071631212.db2.gz FQWLIEIWGYJXGV-RTWAWAEBSA-N 1 1 498.676 3.778 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CSc4ccc(C)cc4)n3CCOC(C)C)C2)CC1 ZINC001313947871 1071632823 /nfs/dbraw/zinc/63/28/23/1071632823.db2.gz DBPWEUUFUVNEQW-QFIPXVFZSA-N 1 1 472.703 3.520 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313950752 1071639449 /nfs/dbraw/zinc/63/94/49/1071639449.db2.gz QNLRGTORTACJIJ-RTWAWAEBSA-N 1 1 475.081 3.735 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313949758 1071636887 /nfs/dbraw/zinc/63/68/87/1071636887.db2.gz RHVJKIMNIJFBSL-QGZVFWFLSA-N 1 1 467.445 3.790 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313950432 1071638013 /nfs/dbraw/zinc/63/80/13/1071638013.db2.gz VUOSXLNSZTYEDN-JXHRLWIKSA-N 1 1 471.646 3.793 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313951467 1071642258 /nfs/dbraw/zinc/64/22/58/1071642258.db2.gz ILXXZQKOCBFTNF-UHFFFAOYSA-N 1 1 467.456 3.811 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313951653 1071643063 /nfs/dbraw/zinc/64/30/63/1071643063.db2.gz APPULZLDTPQSAQ-RTWAWAEBSA-N 1 1 465.621 3.950 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313951885 1071643628 /nfs/dbraw/zinc/64/36/28/1071643628.db2.gz MACDEPDCDUQBDT-JOCHJYFZSA-N 1 1 497.732 3.578 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313952046 1071643658 /nfs/dbraw/zinc/64/36/58/1071643658.db2.gz XHMOHPOCJFXDIP-UXHICEINSA-N 1 1 475.081 3.876 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313951886 1071643748 /nfs/dbraw/zinc/64/37/48/1071643748.db2.gz MACDEPDCDUQBDT-QFIPXVFZSA-N 1 1 497.732 3.578 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001313952208 1071644786 /nfs/dbraw/zinc/64/47/86/1071644786.db2.gz YGPAIRYSHDBDAX-SFHVURJKSA-N 1 1 474.078 3.965 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952544 1071645742 /nfs/dbraw/zinc/64/57/42/1071645742.db2.gz ROSJWOZMNDWMSK-YTFSRNRJSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001313953481 1071648862 /nfs/dbraw/zinc/64/88/62/1071648862.db2.gz GNNQLIBZYHXHMY-UHFFFAOYSA-N 1 1 494.688 3.570 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cccc(C)c3)nnc2N2CCCC2(C)C)CC1 ZINC001313954607 1071652508 /nfs/dbraw/zinc/65/25/08/1071652508.db2.gz SCFPJNBUJCBJAI-UHFFFAOYSA-N 1 1 454.663 3.962 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313954644 1071652544 /nfs/dbraw/zinc/65/25/44/1071652544.db2.gz QJLFBAGSMYFMFK-HXUWFJFHSA-N 1 1 461.605 3.548 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCC(OC4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001313954643 1071652551 /nfs/dbraw/zinc/65/25/51/1071652551.db2.gz SYUSEPNTXVRLOE-UHFFFAOYSA-N 1 1 460.711 3.921 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955199 1071652856 /nfs/dbraw/zinc/65/28/56/1071652856.db2.gz QJNAHHRLOFCNST-NFBKMPQASA-N 1 1 472.653 3.609 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N(C)c2cccc(C)c2)CC1 ZINC001313954887 1071652936 /nfs/dbraw/zinc/65/29/36/1071652936.db2.gz WJCLWMZGENUUQT-UHFFFAOYSA-N 1 1 464.662 3.634 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001313955785 1071656872 /nfs/dbraw/zinc/65/68/72/1071656872.db2.gz IMNHQHBTONDLOD-JOCHJYFZSA-N 1 1 468.690 3.840 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccsc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313954903 1071653715 /nfs/dbraw/zinc/65/37/15/1071653715.db2.gz WXUZYLPRGOTALC-BGYRXZFFSA-N 1 1 462.733 3.678 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313955052 1071654326 /nfs/dbraw/zinc/65/43/26/1071654326.db2.gz DTOWZLMPBFKJFQ-PZJWPPBQSA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313956088 1071657537 /nfs/dbraw/zinc/65/75/37/1071657537.db2.gz KGAWKBASUNHLJX-OFNKIYASSA-N 1 1 486.730 3.689 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001313956769 1071657984 /nfs/dbraw/zinc/65/79/84/1071657984.db2.gz MZNHKQATCLAMSS-LJQANCHMSA-N 1 1 460.617 3.591 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)CC1 ZINC001313957588 1071660742 /nfs/dbraw/zinc/66/07/42/1071660742.db2.gz QPMRSQOGTZYOHK-JOCHJYFZSA-N 1 1 460.711 3.537 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313958126 1071663074 /nfs/dbraw/zinc/66/30/74/1071663074.db2.gz UJKFYMMGUXXZTH-ZRBLBEILSA-N 1 1 486.730 3.769 20 0 JHADMO CCN1CC[NH+](CCCn2c(N3CC[C@@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958459 1071663968 /nfs/dbraw/zinc/66/39/68/1071663968.db2.gz CGADYOMKZHOQIF-JOCHJYFZSA-N 1 1 454.663 3.606 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960077 1071668759 /nfs/dbraw/zinc/66/87/59/1071668759.db2.gz HDQKDNCXVRJWFP-HXUWFJFHSA-N 1 1 489.734 3.761 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313960637 1071670489 /nfs/dbraw/zinc/67/04/89/1071670489.db2.gz MCWUPMBQPYACJJ-LJQANCHMSA-N 1 1 461.054 3.630 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313974074 1071701929 /nfs/dbraw/zinc/70/19/29/1071701929.db2.gz OLVGFWDPYPTBSL-NFBKMPQASA-N 1 1 466.674 3.882 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313977292 1071710230 /nfs/dbraw/zinc/71/02/30/1071710230.db2.gz LLCPLEIIVBLGEA-IBGZPJMESA-N 1 1 458.676 3.572 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313977384 1071710817 /nfs/dbraw/zinc/71/08/17/1071710817.db2.gz MPYGVLYDARVAEQ-RBUKOAKNSA-N 1 1 488.702 3.660 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001314015095 1071756771 /nfs/dbraw/zinc/75/67/71/1071756771.db2.gz CHZXYEGKMMNAHY-UHFFFAOYSA-N 1 1 474.625 3.795 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001314019805 1071769591 /nfs/dbraw/zinc/76/95/91/1071769591.db2.gz MCXIGUBBFZYVSI-LJQANCHMSA-N 1 1 476.025 3.537 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001314026585 1071789459 /nfs/dbraw/zinc/78/94/59/1071789459.db2.gz RUTGHFHHSAOURK-MOPGFXCFSA-N 1 1 460.598 3.775 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001314027279 1071792223 /nfs/dbraw/zinc/79/22/23/1071792223.db2.gz DNWRCBRNHSQYDD-PMACEKPBSA-N 1 1 458.607 3.682 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001314028906 1071796726 /nfs/dbraw/zinc/79/67/26/1071796726.db2.gz SVNMKYKTIYBIBW-MISYRCLQSA-N 1 1 458.607 3.680 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314028778 1071796870 /nfs/dbraw/zinc/79/68/70/1071796870.db2.gz GRKORXRZDSGQGQ-SFTDATJTSA-N 1 1 478.682 3.991 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001314032555 1071809819 /nfs/dbraw/zinc/80/98/19/1071809819.db2.gz BKYBFQWLIZYTFU-HKUYNNGSSA-N 1 1 460.648 3.626 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314034602 1071818695 /nfs/dbraw/zinc/81/86/95/1071818695.db2.gz VRJATNNYSLBBAK-UXHICEINSA-N 1 1 471.650 3.509 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001314037877 1071831846 /nfs/dbraw/zinc/83/18/46/1071831846.db2.gz VMXRTGOSWPCBHT-GHTZIAJQSA-N 1 1 499.591 3.867 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001314042349 1071848373 /nfs/dbraw/zinc/84/83/73/1071848373.db2.gz XWWIHYMZLOKJOE-FQEVSTJZSA-N 1 1 480.617 3.519 20 0 JHADMO 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 ZINC001314042495 1071848844 /nfs/dbraw/zinc/84/88/44/1071848844.db2.gz YVGQHOVXGWRIAR-CIAFKFPVSA-N 1 1 490.693 3.644 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001314044155 1071855908 /nfs/dbraw/zinc/85/59/08/1071855908.db2.gz RDWYMMOVQGIIGB-VXKWHMMOSA-N 1 1 484.645 3.755 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001314045651 1071861598 /nfs/dbraw/zinc/86/15/98/1071861598.db2.gz ROZWMLMEUSDAML-KBMIEXCESA-N 1 1 475.609 3.673 20 0 JHADMO 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JHADMO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314098528 1071979490 /nfs/dbraw/zinc/97/94/90/1071979490.db2.gz KRLWYYVXUDVIGO-MHZLTWQESA-N 1 1 485.673 3.824 20 0 JHADMO CCO[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099102 1071980949 /nfs/dbraw/zinc/98/09/49/1071980949.db2.gz PVNAOPLAGUBKQT-JIPXPUAJSA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101492 1071985899 /nfs/dbraw/zinc/98/58/99/1071985899.db2.gz DFQQRLBWTYGXAE-MPCDZSKCSA-N 1 1 493.599 3.693 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105903 1071996345 /nfs/dbraw/zinc/99/63/45/1071996345.db2.gz WNLSROICLKZFTJ-RBVZKXTNSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001314109375 1072002385 /nfs/dbraw/zinc/00/23/85/1072002385.db2.gz AMKKDXPSIVXEMA-QYXIYQDXSA-N 1 1 459.610 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CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)C1 ZINC001306308039 1068726473 /nfs/dbraw/zinc/72/64/73/1068726473.db2.gz DXMVTLJLYZIMTI-MJGOQDMVSA-N 1 1 453.967 3.705 20 0 JHADMO CC[C@H]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001306309413 1068728056 /nfs/dbraw/zinc/72/80/56/1068728056.db2.gz RFQLAXLBCVZGLZ-ROUUACIJSA-N 1 1 479.467 3.641 20 0 JHADMO CC[C@H]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001306309414 1068728117 /nfs/dbraw/zinc/72/81/17/1068728117.db2.gz RFQLAXLBCVZGLZ-ZWKOTPCHSA-N 1 1 479.467 3.641 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(=O)(=O)CC ZINC001306316835 1068736856 /nfs/dbraw/zinc/73/68/56/1068736856.db2.gz HCKQXZRPCIBHOO-FQEVSTJZSA-N 1 1 468.067 3.734 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 ZINC001306317285 1068737822 /nfs/dbraw/zinc/73/78/22/1068737822.db2.gz JHOKNCXWAWTHHS-GOSISDBHSA-N 1 1 489.462 3.964 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306318364 1068741129 /nfs/dbraw/zinc/74/11/29/1068741129.db2.gz NMVYGBUVYIGHSS-ICSRJNTNSA-N 1 1 489.462 3.674 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C)C1 ZINC001306319611 1068745926 /nfs/dbraw/zinc/74/59/26/1068745926.db2.gz VLDFKAJLVMTECJ-AEFFLSMTSA-N 1 1 465.440 3.536 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319745 1068746567 /nfs/dbraw/zinc/74/65/67/1068746567.db2.gz VVLCTWMQGKSGRY-GMAHTHKFSA-N 1 1 468.646 3.523 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001306319774 1068746651 /nfs/dbraw/zinc/74/66/51/1068746651.db2.gz WOHXYNLIEBJHFK-IRLDBZIGSA-N 1 1 489.064 3.599 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001306319787 1068746822 /nfs/dbraw/zinc/74/68/22/1068746822.db2.gz WUVBPNLEFTUNTJ-FCHUYYIVSA-N 1 1 489.686 3.618 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319966 1068747245 /nfs/dbraw/zinc/74/72/45/1068747245.db2.gz XZKQYTNKXLDCQO-VWNXMTODSA-N 1 1 482.673 3.968 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306319844 1068747355 /nfs/dbraw/zinc/74/73/55/1068747355.db2.gz NVTLMXDXTKPBIH-LJQANCHMSA-N 1 1 480.579 3.903 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001306319814 1068747559 /nfs/dbraw/zinc/74/75/59/1068747559.db2.gz XHZLDJWNUNFBRP-UNMCSNQZSA-N 1 1 487.718 3.626 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320966 1068750105 /nfs/dbraw/zinc/75/01/05/1068750105.db2.gz CRBIBCRULDWURD-FGZHOGPDSA-N 1 1 476.666 3.699 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306321670 1068752252 /nfs/dbraw/zinc/75/22/52/1068752252.db2.gz HBVRXIIVXXFHSB-YADHBBJMSA-N 1 1 490.693 3.884 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC)C1 ZINC001306322467 1068753709 /nfs/dbraw/zinc/75/37/09/1068753709.db2.gz GEIHMOMQSGECQF-UPVQGACJSA-N 1 1 455.647 3.952 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001306322495 1068753777 /nfs/dbraw/zinc/75/37/77/1068753777.db2.gz HOMAVBOPZFHARH-LGVFNWMJSA-N 1 1 471.646 3.991 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001306322795 1068754378 /nfs/dbraw/zinc/75/43/78/1068754378.db2.gz HTSWNQZZJSMHEJ-JOCHJYFZSA-N 1 1 482.673 3.799 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001306322955 1068755211 /nfs/dbraw/zinc/75/52/11/1068755211.db2.gz NIRJHFPCVRPMOR-FPOVZHCZSA-N 1 1 475.037 3.662 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306323257 1068756516 /nfs/dbraw/zinc/75/65/16/1068756516.db2.gz NWXFQCIDNHRDJG-PKTZIBPZSA-N 1 1 474.694 3.867 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306324643 1068759784 /nfs/dbraw/zinc/75/97/84/1068759784.db2.gz UDMQEWZEJYFQTL-RTWAWAEBSA-N 1 1 498.676 3.741 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306325093 1068761060 /nfs/dbraw/zinc/76/10/60/1068761060.db2.gz VZTHKRVDAXDZLQ-NRFANRHFSA-N 1 1 459.683 3.830 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001306325145 1068761132 /nfs/dbraw/zinc/76/11/32/1068761132.db2.gz RNRXCDJBTFATSO-DEOSSOPVSA-N 1 1 499.679 3.856 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306325289 1068761616 /nfs/dbraw/zinc/76/16/16/1068761616.db2.gz WXCSEFXPSPRTDR-NRFANRHFSA-N 1 1 450.635 3.900 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 ZINC001306326150 1068763705 /nfs/dbraw/zinc/76/37/05/1068763705.db2.gz XEOKXJOBPPSUGG-OAQYLSRUSA-N 1 1 453.566 3.687 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306326566 1068765048 /nfs/dbraw/zinc/76/50/48/1068765048.db2.gz ZQYCPIHHJHSZPX-VXKWHMMOSA-N 1 1 484.645 3.707 20 0 JHADMO CC[C@@H]1CCCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@@H+](CC)C(C)C)C1 ZINC001306327519 1068765862 /nfs/dbraw/zinc/76/58/62/1068765862.db2.gz BWOHROWVXTYRFC-HXUWFJFHSA-N 1 1 475.707 3.903 20 0 JHADMO CC[C@@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306340248 1068776885 /nfs/dbraw/zinc/77/68/85/1068776885.db2.gz AKXZRUZXAUTJIA-QPPBQGQZSA-N 1 1 471.646 3.849 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306340508 1068777336 /nfs/dbraw/zinc/77/73/36/1068777336.db2.gz GMCGCSHPTDYZPX-ACIOBRDBSA-N 1 1 488.702 3.569 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001306344718 1068781633 /nfs/dbraw/zinc/78/16/33/1068781633.db2.gz FVVTUANGNNLZJJ-RCZVLFRGSA-N 1 1 459.610 3.969 20 0 JHADMO 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CC[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001306367251 1068802175 /nfs/dbraw/zinc/80/21/75/1068802175.db2.gz IKNJPENWGCONAR-ROUUACIJSA-N 1 1 462.436 3.973 20 0 JHADMO CC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001306381105 1068812260 /nfs/dbraw/zinc/81/22/60/1068812260.db2.gz BRELMLPOSVLCRV-GOSISDBHSA-N 1 1 470.618 3.777 20 0 JHADMO CC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001306383847 1068816841 /nfs/dbraw/zinc/81/68/41/1068816841.db2.gz UZSJLWAWLOZCMT-XZOQPEGZSA-N 1 1 454.663 3.675 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC[N@H+]1CCOC ZINC001306386935 1068820688 /nfs/dbraw/zinc/82/06/88/1068820688.db2.gz LTTZZVBHHNQPHW-OAQYLSRUSA-N 1 1 469.609 3.630 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2C(C)C)CC[N@H+]1CCOC ZINC001306390444 1068828805 /nfs/dbraw/zinc/82/88/05/1068828805.db2.gz SDRBVOKLXUEQMO-BHIFYINESA-N 1 1 489.064 3.626 20 0 JHADMO 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O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Br)c(C2CC2)n1 ZINC001310819949 1069177310 /nfs/dbraw/zinc/17/73/10/1069177310.db2.gz GJYSUMVAUFTGOT-GOSISDBHSA-N 1 1 459.388 4.000 20 0 JHADMO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c2)c1 ZINC001310832386 1069183742 /nfs/dbraw/zinc/18/37/42/1069183742.db2.gz LTKIURXBOJPLOI-SIKLNZKXSA-N 1 1 450.539 3.674 20 0 JHADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001310836482 1069186314 /nfs/dbraw/zinc/18/63/14/1069186314.db2.gz FAENYBXTDOTNGI-FQEVSTJZSA-N 1 1 454.550 3.659 20 0 JHADMO CCOC(=O)C(C)(C)c1csc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)n1 ZINC001310844740 1069190644 /nfs/dbraw/zinc/19/06/44/1069190644.db2.gz VQMDXMKPUJTPRM-RTBURBONSA-N 1 1 474.627 3.642 20 0 JHADMO COC(=O)[C@H](C)c1ccc(NC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1 ZINC001310867582 1069200133 /nfs/dbraw/zinc/20/01/33/1069200133.db2.gz TYCJLBAHHLLVLE-UNVFRBQDSA-N 1 1 451.567 3.860 20 0 JHADMO COC(=O)[C@H](C)c1ccc(NC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1 ZINC001310867582 1069200141 /nfs/dbraw/zinc/20/01/41/1069200141.db2.gz TYCJLBAHHLLVLE-UNVFRBQDSA-N 1 1 451.567 3.860 20 0 JHADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C[C@@H]1C ZINC001310874222 1069202170 /nfs/dbraw/zinc/20/21/70/1069202170.db2.gz FCTFKEDMCNTTQP-GJZGRUSLSA-N 1 1 457.388 3.761 20 0 JHADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001306548542 1069209190 /nfs/dbraw/zinc/20/91/90/1069209190.db2.gz LVPSQTTZWJLETJ-RTWAWAEBSA-N 1 1 482.673 3.817 20 0 JHADMO CCC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001306550404 1069212840 /nfs/dbraw/zinc/21/28/40/1069212840.db2.gz SKRYSHCQJCXLSS-HFZDXXHNSA-N 1 1 455.647 3.761 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906275 1069217557 /nfs/dbraw/zinc/21/75/57/1069217557.db2.gz WGUCSKIOFDUJNO-HSZRJFAPSA-N 1 1 455.628 3.518 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1 ZINC001310906275 1069217569 /nfs/dbraw/zinc/21/75/69/1069217569.db2.gz WGUCSKIOFDUJNO-HSZRJFAPSA-N 1 1 455.628 3.518 20 0 JHADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3cnc(C(F)(F)F)nc3)CC2)c1C ZINC001310913078 1069220586 /nfs/dbraw/zinc/22/05/86/1069220586.db2.gz YDRSYGVGCLOFAQ-UHFFFAOYSA-N 1 1 452.481 3.644 20 0 JHADMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)CC1 ZINC001310917487 1069220914 /nfs/dbraw/zinc/22/09/14/1069220914.db2.gz AJGUFBRSFATCFJ-UHFFFAOYSA-N 1 1 454.394 3.542 20 0 JHADMO CCC[C@@H](C)C(=O)NCCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001306555720 1069223186 /nfs/dbraw/zinc/22/31/86/1069223186.db2.gz WOGXRSBOMJYSTM-HXUWFJFHSA-N 1 1 470.637 3.949 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306558893 1069229013 /nfs/dbraw/zinc/22/90/13/1069229013.db2.gz IUUFALXEQBQNOH-IRLDBZIGSA-N 1 1 471.646 3.946 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC001310958249 1069233370 /nfs/dbraw/zinc/23/33/70/1069233370.db2.gz LAYQDKHBJKYOSD-IEGUWTFLSA-N 1 1 450.599 3.698 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001306575518 1069241763 /nfs/dbraw/zinc/24/17/63/1069241763.db2.gz CGGSIDDXUDOUAM-MHECFPHRSA-N 1 1 479.641 3.980 20 0 JHADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306584567 1069250339 /nfs/dbraw/zinc/25/03/39/1069250339.db2.gz IEBCVRMFUODXNE-FKBYEOEOSA-N 1 1 474.694 3.568 20 0 JHADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306584564 1069250393 /nfs/dbraw/zinc/25/03/93/1069250393.db2.gz IEBCVRMFUODXNE-BDTNDASRSA-N 1 1 474.694 3.568 20 0 JHADMO 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 ZINC001306585327 1069251412 /nfs/dbraw/zinc/25/14/12/1069251412.db2.gz MBIZSTROJVSLKZ-OEYYQIPYSA-N 1 1 488.721 3.671 20 0 JHADMO O=C(Nc1cc(Br)cc(Br)c1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001311038159 1069253945 /nfs/dbraw/zinc/25/39/45/1069253945.db2.gz DVFAXTFFYRUPMH-HZPDHXFCSA-N 1 1 473.209 3.977 20 0 JHADMO CCC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1)OC ZINC001306593859 1069264394 /nfs/dbraw/zinc/26/43/94/1069264394.db2.gz RMEDELZZIYVKRK-VJFDXUIRSA-N 1 1 477.694 3.559 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1CCOC ZINC001306616957 1069298923 /nfs/dbraw/zinc/29/89/23/1069298923.db2.gz IUYJYVCSXSGFFU-HXUWFJFHSA-N 1 1 474.616 3.613 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001306618960 1069302239 /nfs/dbraw/zinc/30/22/39/1069302239.db2.gz WICCJOCPAGXEFK-FCHUYYIVSA-N 1 1 462.038 3.841 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001306619079 1069302589 /nfs/dbraw/zinc/30/25/89/1069302589.db2.gz IKRHYOAQKNERTA-OALUTQOASA-N 1 1 498.455 3.604 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC[N@H+]1CCOC ZINC001306618974 1069302673 /nfs/dbraw/zinc/30/26/73/1069302673.db2.gz HRAJFSYHDBBPHP-WKJFVQFFSA-N 1 1 499.700 3.720 20 0 JHADMO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@](C)(O)c2ccccc2Cl)CC[N@H+]1CCOC ZINC001306619618 1069304482 /nfs/dbraw/zinc/30/44/82/1069304482.db2.gz VVTMBZSGSVWODH-CYFREDJKSA-N 1 1 464.054 3.900 20 0 JHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164434173 718978806 /nfs/dbraw/zinc/97/88/06/718978806.db2.gz PGWRMERWFCSXJW-FHLBMDLUSA-N 1 1 484.666 3.960 20 0 JHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164432065 718979019 /nfs/dbraw/zinc/97/90/19/718979019.db2.gz FLMLPXYZJBYIBF-UUOWRZLLSA-N 1 1 458.628 3.843 20 0 JHADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625149 719090508 /nfs/dbraw/zinc/09/05/08/719090508.db2.gz GWHAYERUZSLNBK-UGKGYDQZSA-N 1 1 450.583 3.954 20 0 JHADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164627412 719091800 /nfs/dbraw/zinc/09/18/00/719091800.db2.gz KEXYPXNPIFQNED-REWPJTCUSA-N 1 1 464.591 3.773 20 0 JHADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164627410 719092329 /nfs/dbraw/zinc/09/23/29/719092329.db2.gz KEXYPXNPIFQNED-OFNKIYASSA-N 1 1 464.591 3.773 20 0 JHADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC2)C1=O ZINC001164639885 719278216 /nfs/dbraw/zinc/27/82/16/719278216.db2.gz KUEMUTWVQWBPAH-UHFFFAOYSA-N 1 1 486.041 3.771 20 0 JHADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC2)C1=O ZINC001164639885 719278225 /nfs/dbraw/zinc/27/82/25/719278225.db2.gz KUEMUTWVQWBPAH-UHFFFAOYSA-N 1 1 486.041 3.771 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)C2)cc[nH+]1 ZINC001164662896 719356734 /nfs/dbraw/zinc/35/67/34/719356734.db2.gz ARYNEXCDFPSPCO-FQEVSTJZSA-N 1 1 487.382 3.913 20 0 JHADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664520 719357221 /nfs/dbraw/zinc/35/72/21/719357221.db2.gz NXRWLSXQAUHANA-HXUWFJFHSA-N 1 1 487.382 3.913 20 0 JHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164668711 719442598 /nfs/dbraw/zinc/44/25/98/719442598.db2.gz KAGVVSWQXQGTSI-QZTJIDSGSA-N 1 1 455.653 3.925 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)CC2 ZINC001164693219 719757867 /nfs/dbraw/zinc/75/78/67/719757867.db2.gz YPGSICHFPGMEMH-UHFFFAOYSA-N 1 1 479.959 3.531 20 0 JHADMO Fc1cccnc1N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692078 719760926 /nfs/dbraw/zinc/76/09/26/719760926.db2.gz RLASTIORAWEUCC-CUNXSJBXSA-N 1 1 459.569 3.833 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164691626 719771224 /nfs/dbraw/zinc/77/12/24/719771224.db2.gz PDLPVLVGDJGVOM-WOJBJXKFSA-N 1 1 464.639 3.925 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1 ZINC001164691584 719780182 /nfs/dbraw/zinc/78/01/82/719780182.db2.gz OQZOGORUZCFOCX-QFIPXVFZSA-N 1 1 484.666 3.928 20 0 JHADMO COC[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)Cc2cn(C)nc21 ZINC001164695066 719832944 /nfs/dbraw/zinc/83/29/44/719832944.db2.gz KRYHVYTVYZVIAL-SFHVURJKSA-N 1 1 466.655 3.896 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC001164704356 719866813 /nfs/dbraw/zinc/86/68/13/719866813.db2.gz LDZQBXIXTJXNED-IDISGSTGSA-N 1 1 460.578 3.838 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC001164704357 719867011 /nfs/dbraw/zinc/86/70/11/719867011.db2.gz LDZQBXIXTJXNED-JIPXPUAJSA-N 1 1 460.578 3.838 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC001164701179 719868653 /nfs/dbraw/zinc/86/86/53/719868653.db2.gz FRVMGGQGONEQFY-FNZWTVRRSA-N 1 1 464.541 3.669 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695269 719887758 /nfs/dbraw/zinc/88/77/58/719887758.db2.gz KPXLZZBATUHLBY-UHFFFAOYSA-N 1 1 452.580 3.739 20 0 JHADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164697657 719896356 /nfs/dbraw/zinc/89/63/56/719896356.db2.gz MRJQBIVDJZBCKD-UHFFFAOYSA-N 1 1 486.638 3.786 20 0 JHADMO O=C(Nc1nncs1)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707879 719899454 /nfs/dbraw/zinc/89/94/54/719899454.db2.gz XZNQDGVKIQUYTI-UHFFFAOYSA-N 1 1 491.042 3.772 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[C@@H]4CC(=O)N5c4cnn(C)c4)c23)C1 ZINC001164710144 720074470 /nfs/dbraw/zinc/07/44/70/720074470.db2.gz HSPSSHFBZVNERU-UXPWSPDFSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814274 720087306 /nfs/dbraw/zinc/08/73/06/720087306.db2.gz WKLBCPZLBOSFBA-NVQXNPDNSA-N 1 1 469.029 3.850 20 0 JHADMO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)c1 ZINC001164711350 720089069 /nfs/dbraw/zinc/08/90/69/720089069.db2.gz LQYFRXOOPIEUCI-UHFFFAOYSA-N 1 1 493.633 3.877 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164709618 720100254 /nfs/dbraw/zinc/10/02/54/720100254.db2.gz BKVMZJYOMAXMFJ-SFHVURJKSA-N 1 1 460.047 3.822 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164719028 720108727 /nfs/dbraw/zinc/10/87/27/720108727.db2.gz UVPDHESVLAAWHU-HXUWFJFHSA-N 1 1 468.602 3.726 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)CC2 ZINC001164718543 720115539 /nfs/dbraw/zinc/11/55/39/720115539.db2.gz RXWXCBDNXJENKC-SFHVURJKSA-N 1 1 494.970 3.969 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2c1 ZINC001164715477 720119053 /nfs/dbraw/zinc/11/90/53/720119053.db2.gz GACCLVINPAESCR-JOCHJYFZSA-N 1 1 475.593 3.709 20 0 JHADMO 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COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164711763 720149869 /nfs/dbraw/zinc/14/98/69/720149869.db2.gz JVORPGIZQBOTRX-QHCPKHFHSA-N 1 1 470.621 3.930 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164819424 720158421 /nfs/dbraw/zinc/15/84/21/720158421.db2.gz WZDOIJPFZBZONA-HOYKHHGWSA-N 1 1 458.990 3.645 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2c1C ZINC001164818716 720165499 /nfs/dbraw/zinc/16/54/99/720165499.db2.gz UGODTIPKJCUBJZ-UUOWRZLLSA-N 1 1 458.628 3.670 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820223 720177323 /nfs/dbraw/zinc/17/73/23/720177323.db2.gz ZUBAZLCGZLSAKG-JTSKRJEESA-N 1 1 463.960 3.922 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164813339 720207852 /nfs/dbraw/zinc/20/78/52/720207852.db2.gz OOTOPNVQSUHSBI-IFXJQAMLSA-N 1 1 457.978 3.555 20 0 JHADMO 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c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc(N4CCCCC4)n2)C3)c1 ZINC001164758834 720897259 /nfs/dbraw/zinc/89/72/59/720897259.db2.gz ZTWJPOPWDAEZIS-IGKIAQTJSA-N 1 1 462.642 3.617 20 0 JHADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747447 720911396 /nfs/dbraw/zinc/91/13/96/720911396.db2.gz DFTXSBOPXRQKRG-NZQKXSOJSA-N 1 1 493.986 3.747 20 0 JHADMO CC(C)n1cnc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753145 720912625 /nfs/dbraw/zinc/91/26/25/720912625.db2.gz QKWXGNXPAWVVIG-BKMJKUGQSA-N 1 1 461.614 3.557 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c21 ZINC001164856824 720921257 /nfs/dbraw/zinc/92/12/57/720921257.db2.gz KXEXOANYVQPCJU-KRWDZBQOSA-N 1 1 461.570 3.677 20 0 JHADMO C[C@@H]1CCCN(c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)C1 ZINC001164747951 720925014 /nfs/dbraw/zinc/92/50/14/720925014.db2.gz FABFDQSCWTXGME-ATILKMQGSA-N 1 1 476.669 3.863 20 0 JHADMO 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CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1 ZINC001164762641 721022927 /nfs/dbraw/zinc/02/29/27/721022927.db2.gz WEXPCNLIRWOKRG-JBXUNAHCSA-N 1 1 463.626 3.571 20 0 JHADMO c1cnn(Cc2cnc3n2CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CC3)c1 ZINC001164864096 721033047 /nfs/dbraw/zinc/03/30/47/721033047.db2.gz XNCUQCFSRBJAAS-UHFFFAOYSA-N 1 1 488.665 3.670 20 0 JHADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764327 721092117 /nfs/dbraw/zinc/09/21/17/721092117.db2.gz HFUUWCCSWJFRKP-XZOQPEGZSA-N 1 1 484.604 3.909 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872240 721145455 /nfs/dbraw/zinc/14/54/55/721145455.db2.gz HDNXAGHHCIAKCN-FCHUYYIVSA-N 1 1 478.666 3.779 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870345 721159624 /nfs/dbraw/zinc/15/96/24/721159624.db2.gz CPENBZYPODXJNS-QZTJIDSGSA-N 1 1 472.927 3.612 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164872597 721178418 /nfs/dbraw/zinc/17/84/18/721178418.db2.gz HVIDZXUHXQFHDL-ZCYQVOJMSA-N 1 1 459.594 3.568 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761191 721195430 /nfs/dbraw/zinc/19/54/30/721195430.db2.gz ADJUEBBNZRLZHZ-MSOLQXFVSA-N 1 1 453.974 3.757 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761196 721195928 /nfs/dbraw/zinc/19/59/28/721195928.db2.gz ADJUEBBNZRLZHZ-ROUUACIJSA-N 1 1 453.974 3.757 20 0 JHADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164868384 721197020 /nfs/dbraw/zinc/19/70/20/721197020.db2.gz MOLPQAOUJCPJEI-QZTJIDSGSA-N 1 1 463.413 3.648 20 0 JHADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164767701 721199531 /nfs/dbraw/zinc/19/95/31/721199531.db2.gz KJKNPGFWFZXAFX-VXKWHMMOSA-N 1 1 479.698 3.986 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@@H]3C2)cn1 ZINC001164771422 721201563 /nfs/dbraw/zinc/20/15/63/721201563.db2.gz POZJAIDFZLKYCX-PMACEKPBSA-N 1 1 450.974 3.679 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)NCc5ccco5)[C@@H]4C3)c2c1C ZINC001164760728 721255962 /nfs/dbraw/zinc/25/59/62/721255962.db2.gz GOMZEVNFTXWCET-HMXCVIKNSA-N 1 1 495.649 3.512 20 0 JHADMO O=C(NC[C@H]1CCC[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878255 721256480 /nfs/dbraw/zinc/25/64/80/721256480.db2.gz TZYYMFQUSPYWKN-FYBSXPHGSA-N 1 1 497.643 3.983 20 0 JHADMO O=C(NC[C@H]1CCC[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878255 721256487 /nfs/dbraw/zinc/25/64/87/721256487.db2.gz TZYYMFQUSPYWKN-FYBSXPHGSA-N 1 1 497.643 3.983 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4cc(Cl)ccc43)CC2)C1 ZINC001164868544 721269154 /nfs/dbraw/zinc/26/91/54/721269154.db2.gz BCOPHBZFSWWGSH-UHFFFAOYSA-N 1 1 451.398 3.549 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)n1 ZINC001164877390 721309040 /nfs/dbraw/zinc/30/90/40/721309040.db2.gz IOVZMOMVRWQFBU-WOJBJXKFSA-N 1 1 499.706 3.907 20 0 JHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2C)C1=O ZINC001164779027 721320645 /nfs/dbraw/zinc/32/06/45/721320645.db2.gz UDLMRDYDHIZVKC-NSYGIPOTSA-N 1 1 453.656 3.861 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776618 721335609 /nfs/dbraw/zinc/33/56/09/721335609.db2.gz HDKXSTLDUUWXTM-RUZDIDTESA-N 1 1 499.999 3.794 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776618 721335611 /nfs/dbraw/zinc/33/56/11/721335611.db2.gz HDKXSTLDUUWXTM-RUZDIDTESA-N 1 1 499.999 3.794 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778652 721348089 /nfs/dbraw/zinc/34/80/89/721348089.db2.gz NNQNIFZSOWOKCU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778652 721348090 /nfs/dbraw/zinc/34/80/90/721348090.db2.gz NNQNIFZSOWOKCU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164779936 721360239 /nfs/dbraw/zinc/36/02/39/721360239.db2.gz AVWKGCXJMJORFH-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164779936 721360244 /nfs/dbraw/zinc/36/02/44/721360244.db2.gz AVWKGCXJMJORFH-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164782222 721361297 /nfs/dbraw/zinc/36/12/97/721361297.db2.gz LIUPKYKLZFWNOM-HHHXNRCGSA-N 1 1 476.625 3.933 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164782222 721361299 /nfs/dbraw/zinc/36/12/99/721361299.db2.gz LIUPKYKLZFWNOM-HHHXNRCGSA-N 1 1 476.625 3.933 20 0 JHADMO COc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164780814 721365580 /nfs/dbraw/zinc/36/55/80/721365580.db2.gz HTQYEYZXWRWECK-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164780814 721365582 /nfs/dbraw/zinc/36/55/82/721365582.db2.gz HTQYEYZXWRWECK-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5nc(Cl)cnc5cc4Cl)C3)O2)CC1 ZINC001164885099 721405003 /nfs/dbraw/zinc/40/50/03/721405003.db2.gz FMAIUIQIEYIQJC-ZHRRBRCNSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)O2)CC1 ZINC001164886538 721408786 /nfs/dbraw/zinc/40/87/86/721408786.db2.gz JQFQLNMAEOPEKN-VGSWGCGISA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)O2)CC1 ZINC001164886534 721409061 /nfs/dbraw/zinc/40/90/61/721409061.db2.gz JQFQLNMAEOPEKN-JTSKRJEESA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C3)O2)CC1 ZINC001164888841 721424163 /nfs/dbraw/zinc/42/41/63/721424163.db2.gz OVEYTZBSUJHNTB-XMSQKQJNSA-N 1 1 487.111 3.591 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C3)O2)CC1 ZINC001164896165 721427925 /nfs/dbraw/zinc/42/79/25/721427925.db2.gz QTJFBMZOZCXDQM-LITSAYRRSA-N 1 1 492.664 3.950 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895390 721430214 /nfs/dbraw/zinc/43/02/14/721430214.db2.gz OHCZLRAASCWGBW-MHECFPHRSA-N 1 1 455.006 3.530 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890787 721431405 /nfs/dbraw/zinc/43/14/05/721431405.db2.gz FSKQJVJHSLXDFO-PWUYWRBVSA-N 1 1 471.649 3.986 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897644 721431955 /nfs/dbraw/zinc/43/19/55/721431955.db2.gz UKCFXYACVUUEJQ-WMZHIEFXSA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889615 721435370 /nfs/dbraw/zinc/43/53/70/721435370.db2.gz CHKGAMARDDOMTR-JYFHCDHNSA-N 1 1 484.044 3.753 20 0 JHADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891355 721438058 /nfs/dbraw/zinc/43/80/58/721438058.db2.gz GODSHJJBTHBOOZ-BWKNWUBXSA-N 1 1 456.034 3.871 20 0 JHADMO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164781920 721441398 /nfs/dbraw/zinc/44/13/98/721441398.db2.gz HKCAGMOLBKRLIB-NRFANRHFSA-N 1 1 452.990 3.780 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(SCc5ccccc5)n4)C3)O2)CC1 ZINC001164890214 721444815 /nfs/dbraw/zinc/44/48/15/721444815.db2.gz CJWSUISSAJHFEU-RDGATRHJSA-N 1 1 453.656 3.534 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897460 721446361 /nfs/dbraw/zinc/44/63/61/721446361.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 1 1 455.691 3.784 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897460 721446365 /nfs/dbraw/zinc/44/63/65/721446365.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 1 1 455.691 3.784 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887993 721448000 /nfs/dbraw/zinc/44/80/00/721448000.db2.gz LLJWRBGVSIIJTE-HNAYVOBHSA-N 1 1 465.372 3.579 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784451 721450293 /nfs/dbraw/zinc/45/02/93/721450293.db2.gz FIQFJZJBTYKJSK-IBGZPJMESA-N 1 1 466.022 3.646 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164890875 721450499 /nfs/dbraw/zinc/45/04/99/721450499.db2.gz SXXKBESGILBQRY-KXBFYZLASA-N 1 1 465.372 3.579 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164784191 721457423 /nfs/dbraw/zinc/45/74/23/721457423.db2.gz DPBPYXOJDUUFON-QGZVFWFLSA-N 1 1 453.052 3.512 20 0 JHADMO CCCN(CCC)c1cncc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789256 721463670 /nfs/dbraw/zinc/46/36/70/721463670.db2.gz WDDZDVAVLFMMSK-HSZRJFAPSA-N 1 1 459.679 3.837 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164791747 721468660 /nfs/dbraw/zinc/46/86/60/721468660.db2.gz YJUGAHJFZLRZSJ-DEOSSOPVSA-N 1 1 450.627 3.801 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164787135 721474181 /nfs/dbraw/zinc/47/41/81/721474181.db2.gz CPEYCMYVMIHPQC-GOSISDBHSA-N 1 1 474.696 3.664 20 0 JHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)n1 ZINC001164901175 721494327 /nfs/dbraw/zinc/49/43/27/721494327.db2.gz TTXPJRGARBXKPO-XUVXKRRUSA-N 1 1 485.061 3.553 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164796776 721499239 /nfs/dbraw/zinc/49/92/39/721499239.db2.gz XJJMSPCMKQVANC-UHFFFAOYSA-N 1 1 454.962 3.674 20 0 JHADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1C ZINC001164896258 721509338 /nfs/dbraw/zinc/50/93/38/721509338.db2.gz ABIJWUDBHNDNHU-SJLPKXTDSA-N 1 1 456.543 3.657 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164909791 721542041 /nfs/dbraw/zinc/54/20/41/721542041.db2.gz RWRJUAXTQXXUID-APWZRJJASA-N 1 1 459.884 3.937 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164810576 721559689 /nfs/dbraw/zinc/55/96/89/721559689.db2.gz YYSGOBOWOVFOQK-UBFVSLLYSA-N 1 1 472.568 3.882 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164799591 721564696 /nfs/dbraw/zinc/56/46/96/721564696.db2.gz CPOSEOVEONGQMI-ZCNNSNEGSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164799591 721564698 /nfs/dbraw/zinc/56/46/98/721564698.db2.gz CPOSEOVEONGQMI-ZCNNSNEGSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164810670 721569603 /nfs/dbraw/zinc/56/96/03/721569603.db2.gz ZTVVJBSVMGUDFB-NJDAHSKKSA-N 1 1 475.927 3.971 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164810670 721569606 /nfs/dbraw/zinc/56/96/06/721569606.db2.gz ZTVVJBSVMGUDFB-NJDAHSKKSA-N 1 1 475.927 3.971 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164800379 721573222 /nfs/dbraw/zinc/57/32/22/721573222.db2.gz FGKCJLBEMSCRIH-MZKUHISZSA-N 1 1 467.573 3.988 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCCCC2)[C@@H]2CCCO[C@H]12 ZINC001164804666 721575005 /nfs/dbraw/zinc/57/50/05/721575005.db2.gz LQNPUQKHVROALL-SDHSZQHLSA-N 1 1 458.610 3.883 20 0 JHADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2C1=O ZINC001164905061 721575225 /nfs/dbraw/zinc/57/52/25/721575225.db2.gz XYVGBEADRZZZDN-QZTJIDSGSA-N 1 1 497.690 3.947 20 0 JHADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2C1=O ZINC001164905059 721575237 /nfs/dbraw/zinc/57/52/37/721575237.db2.gz XYVGBEADRZZZDN-MSOLQXFVSA-N 1 1 497.690 3.947 20 0 JHADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2C1=O ZINC001164903739 721575377 /nfs/dbraw/zinc/57/53/77/721575377.db2.gz RTRPCRAYNNCGNW-SFTDATJTSA-N 1 1 491.661 3.885 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164803973 721576853 /nfs/dbraw/zinc/57/68/53/721576853.db2.gz KFPONGYOTBYMEO-ISJGIBHGSA-N 1 1 452.562 3.955 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)o2)cc1 ZINC001164805587 721580084 /nfs/dbraw/zinc/58/00/84/721580084.db2.gz LEPANAFDIDLFHQ-GIWBLDEGSA-N 1 1 456.550 3.856 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)o2)cc1 ZINC001164805587 721580087 /nfs/dbraw/zinc/58/00/87/721580087.db2.gz LEPANAFDIDLFHQ-GIWBLDEGSA-N 1 1 456.550 3.856 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164806867 721582082 /nfs/dbraw/zinc/58/20/82/721582082.db2.gz NJCDCAUNESTOBO-GSLIJJQTSA-N 1 1 458.562 3.702 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164806867 721582084 /nfs/dbraw/zinc/58/20/84/721582084.db2.gz NJCDCAUNESTOBO-GSLIJJQTSA-N 1 1 458.562 3.702 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2cccnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164800906 721588735 /nfs/dbraw/zinc/58/87/35/721588735.db2.gz DBGLMCUKDAXIAR-IPMKNSEASA-N 1 1 481.931 3.635 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2cccnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164800906 721588737 /nfs/dbraw/zinc/58/87/37/721588737.db2.gz DBGLMCUKDAXIAR-IPMKNSEASA-N 1 1 481.931 3.635 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164803298 721603212 /nfs/dbraw/zinc/60/32/12/721603212.db2.gz VEGPHQUSNMRLER-CYXNTTPDSA-N 1 1 477.653 3.976 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164809347 721606724 /nfs/dbraw/zinc/60/67/24/721606724.db2.gz ZZJHGTXMRDDSQX-ATIYNZHBSA-N 1 1 450.631 3.861 20 0 JHADMO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc21 ZINC001164907874 721697200 /nfs/dbraw/zinc/69/72/00/721697200.db2.gz VKPHQVAVJDNJSX-QHCPKHFHSA-N 1 1 453.493 3.549 20 0 JHADMO FC1(F)CCN(c2nc3ccccc3nc2N2CCOCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904909 721702611 /nfs/dbraw/zinc/70/26/11/721702611.db2.gz HOCYGMICNHYJTR-RUZDIDTESA-N 1 1 480.563 3.599 20 0 JHADMO CN(C)c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164912111 721734446 /nfs/dbraw/zinc/73/44/46/721734446.db2.gz LOVNDPZIYYVXCK-LJQANCHMSA-N 1 1 472.918 3.874 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)c2c1C ZINC001165016538 721781628 /nfs/dbraw/zinc/78/16/28/721781628.db2.gz DIHJPTYTUSHVBI-IMSXRSKXSA-N 1 1 496.681 3.944 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165021411 721804206 /nfs/dbraw/zinc/80/42/06/721804206.db2.gz GRRBCWPGTSDEBQ-RCZSKKKRSA-N 1 1 464.639 3.660 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026700 721825017 /nfs/dbraw/zinc/82/50/17/721825017.db2.gz PNFOHWPLWCKHJZ-PMOQBDJRSA-N 1 1 471.671 3.680 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@@H]21 ZINC001165025140 721832636 /nfs/dbraw/zinc/83/26/36/721832636.db2.gz LXCKQNIGXSHPEL-NZSAHSFTSA-N 1 1 477.440 3.752 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1Cl ZINC001165023495 721838272 /nfs/dbraw/zinc/83/82/72/721838272.db2.gz ZSLXDRCHVWKDKW-UHFFFAOYSA-N 1 1 498.958 3.970 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)nc3[nH]cnc32)CC1 ZINC001165021270 721843952 /nfs/dbraw/zinc/84/39/52/721843952.db2.gz KHMLYECWSKEDAR-UHFFFAOYSA-N 1 1 466.920 3.621 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(N(C)C)nc(Cl)n2)CC1 ZINC001165030323 721844803 /nfs/dbraw/zinc/84/48/03/721844803.db2.gz HRZZQHHWSIRYKL-UHFFFAOYSA-N 1 1 469.964 3.859 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932554 721880196 /nfs/dbraw/zinc/88/01/96/721880196.db2.gz JBAPEYXIRBVTLD-PMACEKPBSA-N 1 1 479.650 3.592 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932554 721880197 /nfs/dbraw/zinc/88/01/97/721880197.db2.gz JBAPEYXIRBVTLD-PMACEKPBSA-N 1 1 479.650 3.592 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccccc5)nc(N(C)C)n4)CC3)C2)cc1 ZINC001164939425 721928324 /nfs/dbraw/zinc/92/83/24/721928324.db2.gz KOLNMMMYHBCGNA-UHFFFAOYSA-N 1 1 458.610 3.784 20 0 JHADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940694 721931528 /nfs/dbraw/zinc/93/15/28/721931528.db2.gz XGRUMMAFPXVBRJ-JOCHJYFZSA-N 1 1 486.682 3.728 20 0 JHADMO 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JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CC[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001311501910 1069410984 /nfs/dbraw/zinc/41/09/84/1069410984.db2.gz KMWYJEHNWUTFEV-GMAHTHKFSA-N 1 1 455.002 3.863 20 0 JHADMO C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn2)CCO1 ZINC001311504569 1069412942 /nfs/dbraw/zinc/41/29/42/1069412942.db2.gz UQXKJWJESAFJCA-PQNGQFLHSA-N 1 1 451.615 3.501 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001306682205 1069412563 /nfs/dbraw/zinc/41/25/63/1069412563.db2.gz CRRQCLLQZWLBSC-UHFFFAOYSA-N 1 1 489.093 3.813 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001306680953 1069409276 /nfs/dbraw/zinc/40/92/76/1069409276.db2.gz WQKAJGFYFCOWJO-LVXARBLLSA-N 1 1 473.637 3.777 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001306683375 1069416524 /nfs/dbraw/zinc/41/65/24/1069416524.db2.gz WYTMVUVADPHEQA-QHCPKHFHSA-N 1 1 451.619 3.551 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001306683744 1069418164 /nfs/dbraw/zinc/41/81/64/1069418164.db2.gz CAPFQCRPZFTUOW-UHFFFAOYSA-N 1 1 454.594 3.718 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306682639 1069413803 /nfs/dbraw/zinc/41/38/03/1069413803.db2.gz KFCQTZKZOOZKHY-OAHLLOKOSA-N 1 1 454.402 3.983 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001306683917 1069418789 /nfs/dbraw/zinc/41/87/89/1069418789.db2.gz FMAJBQYBASSFQG-UHFFFAOYSA-N 1 1 457.623 3.566 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001306684991 1069419957 /nfs/dbraw/zinc/41/99/57/1069419957.db2.gz WRGZBPNHMUYKTM-UHFFFAOYSA-N 1 1 482.608 3.935 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306684992 1069420038 /nfs/dbraw/zinc/42/00/38/1069420038.db2.gz WTNIOMAKORVLNB-UHFFFAOYSA-N 1 1 492.672 3.557 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306685320 1069420673 /nfs/dbraw/zinc/42/06/73/1069420673.db2.gz AWRRLSQDFOYLGZ-DEOSSOPVSA-N 1 1 486.636 3.920 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001306685276 1069420845 /nfs/dbraw/zinc/42/08/45/1069420845.db2.gz ZUDQVKWIKGRJSL-HXUWFJFHSA-N 1 1 465.646 3.851 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 ZINC001306685866 1069421373 /nfs/dbraw/zinc/42/13/73/1069421373.db2.gz MIFALQZBVCLQNB-PMACEKPBSA-N 1 1 496.722 3.650 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CC)C1 ZINC001306685932 1069422054 /nfs/dbraw/zinc/42/20/54/1069422054.db2.gz NMQJLDYMJCOIMK-LEWJYISDSA-N 1 1 478.682 3.740 20 0 JHADMO CCCC[N@@H+](C)CCn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1C(C)(C)C ZINC001306687478 1069423959 /nfs/dbraw/zinc/42/39/59/1069423959.db2.gz JMUZHHLWHJBFQQ-UHFFFAOYSA-N 1 1 455.651 3.866 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C)[NH+]1CCOCC1 ZINC001311535463 1069427636 /nfs/dbraw/zinc/42/76/36/1069427636.db2.gz SJYGLLOGIRIUTA-CPJSRVTESA-N 1 1 453.631 3.592 20 0 JHADMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@H](C)O1 ZINC001311533274 1069426388 /nfs/dbraw/zinc/42/63/88/1069426388.db2.gz JRJINNTUMOWWJF-LLGFUMIMSA-N 1 1 457.537 3.972 20 0 JHADMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001311536854 1069429117 /nfs/dbraw/zinc/42/91/17/1069429117.db2.gz XSIWCGOGTBNOPA-BETUJISGSA-N 1 1 452.315 3.766 20 0 JHADMO CC1(C)CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](c2ccccc2)C1 ZINC001311537645 1069429626 /nfs/dbraw/zinc/42/96/26/1069429626.db2.gz VEQITGVHNPUHAL-XZOQPEGZSA-N 1 1 450.631 3.650 20 0 JHADMO CCCCN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306692660 1069429682 /nfs/dbraw/zinc/42/96/82/1069429682.db2.gz PHXCVVCNUYGHMT-KDURUIRLSA-N 1 1 467.618 3.720 20 0 JHADMO C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001311546753 1069433091 /nfs/dbraw/zinc/43/30/91/1069433091.db2.gz YBBIXARGWPAKDD-LADGPHEKSA-N 1 1 450.627 3.619 20 0 JHADMO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001306696991 1069433129 /nfs/dbraw/zinc/43/31/29/1069433129.db2.gz ZNVVRYKIMDGENQ-RTBURBONSA-N 1 1 465.689 3.705 20 0 JHADMO CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306703832 1069439749 /nfs/dbraw/zinc/43/97/49/1069439749.db2.gz OXQYVPKPMSNITG-RDJZCZTQSA-N 1 1 495.491 3.558 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001306723190 1069462211 /nfs/dbraw/zinc/46/22/11/1069462211.db2.gz OSVLQUHWNFBGTQ-QFIPXVFZSA-N 1 1 456.635 3.830 20 0 JHADMO CC[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614107 1069466201 /nfs/dbraw/zinc/46/62/01/1069466201.db2.gz JNOGLFPNXLLDLV-GIWBLDEGSA-N 1 1 458.647 3.901 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001306724018 1069464547 /nfs/dbraw/zinc/46/45/47/1069464547.db2.gz XHJDPBQAOWBUBX-QRVBRYPASA-N 1 1 459.664 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306724484 1069465241 /nfs/dbraw/zinc/46/52/41/1069465241.db2.gz YCECQSBTGSLALZ-KCPMXOJXSA-N 1 1 486.636 3.914 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724518 1069465310 /nfs/dbraw/zinc/46/53/10/1069465310.db2.gz YHPUHAXXHUQVBG-GOTSBHOMSA-N 1 1 452.647 3.801 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001306725221 1069466427 /nfs/dbraw/zinc/46/64/27/1069466427.db2.gz BFFPVIXTHRPCAL-QHAWAJNXSA-N 1 1 465.708 3.707 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001306727072 1069471075 /nfs/dbraw/zinc/47/10/75/1069471075.db2.gz CKZCGRRAXSYFAP-LILXYRQWSA-N 1 1 463.667 3.518 20 0 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CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC001314208415 1069824548 /nfs/dbraw/zinc/82/45/48/1069824548.db2.gz BMUMWPCWXXJEMV-QFIPXVFZSA-N 1 1 454.663 3.530 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056019 1069825559 /nfs/dbraw/zinc/82/55/59/1069825559.db2.gz SIIIVJFWYYIGTL-BJKOFHAPSA-N 1 1 481.689 3.936 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001307056421 1069827073 /nfs/dbraw/zinc/82/70/73/1069827073.db2.gz SSFKDIJCOPAPRY-NZQKXSOJSA-N 1 1 498.672 3.674 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001307056382 1069827502 /nfs/dbraw/zinc/82/75/02/1069827502.db2.gz SJMZWMGDTIERSV-UYAOXDASSA-N 1 1 452.603 3.774 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307056901 1069830566 /nfs/dbraw/zinc/83/05/66/1069830566.db2.gz CVBWZXRFOSRBRC-XZOQPEGZSA-N 1 1 497.688 3.879 20 0 JHADMO 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C[NH+](C)[C@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)cc1 ZINC001309077810 1070526185 /nfs/dbraw/zinc/52/61/85/1070526185.db2.gz CFYOKIWUSWYYLB-GOSISDBHSA-N 1 1 455.349 3.544 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC001313501971 1070526472 /nfs/dbraw/zinc/52/64/72/1070526472.db2.gz HQFNHAKWTZVCFY-UFYCRDLUSA-N 1 1 457.619 3.698 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001313502071 1070527498 /nfs/dbraw/zinc/52/74/98/1070527498.db2.gz JACRUJDNNNESGI-AFMDSPMNSA-N 1 1 471.646 3.682 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001313503359 1070532915 /nfs/dbraw/zinc/53/29/15/1070532915.db2.gz PFPITVAFUSCYIO-IFMALSPDSA-N 1 1 471.646 3.946 20 0 JHADMO Cc1cc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc(C)c1OCc1ccccc1 ZINC001309105161 1070543071 /nfs/dbraw/zinc/54/30/71/1070543071.db2.gz JWDCGMLAIXWZOF-HSZRJFAPSA-N 1 1 458.624 3.758 20 0 JHADMO Cc1cc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc(C)c1OCc1ccccc1 ZINC001309105161 1070543086 /nfs/dbraw/zinc/54/30/86/1070543086.db2.gz JWDCGMLAIXWZOF-HSZRJFAPSA-N 1 1 458.624 3.758 20 0 JHADMO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001309100876 1070540537 /nfs/dbraw/zinc/54/05/37/1070540537.db2.gz QWADYUXKBYOSEL-BETUJISGSA-N 1 1 451.402 3.632 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCC)cc1OC ZINC001313506216 1070547074 /nfs/dbraw/zinc/54/70/74/1070547074.db2.gz VRORQZSKOXBDQO-IBGZPJMESA-N 1 1 457.619 3.842 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001313506946 1070550481 /nfs/dbraw/zinc/55/04/81/1070550481.db2.gz UXWDXAXOUMGEBG-UNMCSNQZSA-N 1 1 498.672 3.565 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001313506601 1070548836 /nfs/dbraw/zinc/54/88/36/1070548836.db2.gz XRKLELJRNBAUIL-FQEVSTJZSA-N 1 1 457.619 3.842 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[S@@](=O)C(C)(C)C)cc1OC ZINC001313506578 1070548891 /nfs/dbraw/zinc/54/88/91/1070548891.db2.gz SMJWQUARMCRJTL-UUWRZZSWSA-N 1 1 491.702 3.820 20 0 JHADMO CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cn1 ZINC001313512726 1070564811 /nfs/dbraw/zinc/56/48/11/1070564811.db2.gz RPNJBEGXGUCPAC-ZWKOTPCHSA-N 1 1 469.659 3.785 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2CC[N@@H+](CCC)C2)cc1OC ZINC001313513722 1070569498 /nfs/dbraw/zinc/56/94/98/1070569498.db2.gz OBCHXILEIBHAAM-WOJBJXKFSA-N 1 1 457.619 3.700 20 0 JHADMO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cnc1C(F)F ZINC001309155682 1070573662 /nfs/dbraw/zinc/57/36/62/1070573662.db2.gz DBCFMCSGDLSAHU-INIZCTEOSA-N 1 1 459.559 3.519 20 0 JHADMO CC[S@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001314577193 1070585902 /nfs/dbraw/zinc/58/59/02/1070585902.db2.gz GDBTWUGPLXFATK-NSZLQQFSSA-N 1 1 487.714 3.676 20 0 JHADMO CC[S@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001314577193 1070585916 /nfs/dbraw/zinc/58/59/16/1070585916.db2.gz GDBTWUGPLXFATK-NSZLQQFSSA-N 1 1 487.714 3.676 20 0 JHADMO CCCOc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313521480 1070588530 /nfs/dbraw/zinc/58/85/30/1070588530.db2.gz MWYDNURSFXTEOC-UHFFFAOYSA-N 1 1 469.659 3.786 20 0 JHADMO CC[S@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001314578860 1070589299 /nfs/dbraw/zinc/58/92/99/1070589299.db2.gz MZAFDNKBGBQHST-CVCYQNGTSA-N 1 1 480.078 3.590 20 0 JHADMO CCSc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC001314584309 1070600883 /nfs/dbraw/zinc/60/08/83/1070600883.db2.gz VPDPCIQFDFBUEJ-ZVDOUQERSA-N 1 1 474.675 3.620 20 0 JHADMO CCSc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC001314584309 1070600888 /nfs/dbraw/zinc/60/08/88/1070600888.db2.gz VPDPCIQFDFBUEJ-ZVDOUQERSA-N 1 1 474.675 3.620 20 0 JHADMO O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001309207499 1070608207 /nfs/dbraw/zinc/60/82/07/1070608207.db2.gz SNKNCFJVYIKYAX-UHFFFAOYSA-N 1 1 450.988 3.865 20 0 JHADMO CCCO[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001313531103 1070613323 /nfs/dbraw/zinc/61/33/23/1070613323.db2.gz WPJWCCODJKBTDK-IBGZPJMESA-N 1 1 460.623 3.522 20 0 JHADMO CCS[C@H]1CCCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314592615 1070626087 /nfs/dbraw/zinc/62/60/87/1070626087.db2.gz RKJBHOROGKFAAO-VQTJNVASSA-N 1 1 464.724 3.630 20 0 JHADMO CCS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001314593765 1070629517 /nfs/dbraw/zinc/62/95/17/1070629517.db2.gz ZOZRLZBULLUXIN-RTBURBONSA-N 1 1 457.648 3.522 20 0 JHADMO CCS[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001314597776 1070641981 /nfs/dbraw/zinc/64/19/81/1070641981.db2.gz WKKHGVVTMKYBCJ-LEWJYISDSA-N 1 1 460.692 3.752 20 0 JHADMO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC001309247196 1070642436 /nfs/dbraw/zinc/64/24/36/1070642436.db2.gz SIKNSMSXNAAEIB-MRXNPFEDSA-N 1 1 453.402 3.743 20 0 JHADMO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC001309247196 1070642442 /nfs/dbraw/zinc/64/24/42/1070642442.db2.gz SIKNSMSXNAAEIB-MRXNPFEDSA-N 1 1 453.402 3.743 20 0 JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001313545465 1070650908 /nfs/dbraw/zinc/65/09/08/1070650908.db2.gz KJQLTURWEVWUOH-NJYVYQBISA-N 1 1 490.693 3.738 20 0 JHADMO CCS[C@@H]1CCCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001314601676 1070652920 /nfs/dbraw/zinc/65/29/20/1070652920.db2.gz TZTNCJOMXPTLNP-PZJWPPBQSA-N 1 1 489.686 3.795 20 0 JHADMO CCS[C@@H]1CCCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001314601676 1070652927 /nfs/dbraw/zinc/65/29/27/1070652927.db2.gz TZTNCJOMXPTLNP-PZJWPPBQSA-N 1 1 489.686 3.795 20 0 JHADMO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313552780 1070670394 /nfs/dbraw/zinc/67/03/94/1070670394.db2.gz IGYVRNMHAVCLME-PMACEKPBSA-N 1 1 456.610 3.653 20 0 JHADMO CCN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313553346 1070671029 /nfs/dbraw/zinc/67/10/29/1070671029.db2.gz NHSDRUKVKKLQDU-QGZVFWFLSA-N 1 1 456.591 3.507 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309279448 1070665573 /nfs/dbraw/zinc/66/55/73/1070665573.db2.gz LJHKOCXRLMDQJJ-XMMPIXPASA-N 1 1 452.624 3.833 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001309279448 1070665579 /nfs/dbraw/zinc/66/55/79/1070665579.db2.gz LJHKOCXRLMDQJJ-XMMPIXPASA-N 1 1 452.624 3.833 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001313574107 1070689048 /nfs/dbraw/zinc/68/90/48/1070689048.db2.gz KDRXRLZKAKGZNZ-ISJBWFOZSA-N 1 1 455.647 3.749 20 0 JHADMO 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 1070691803 /nfs/dbraw/zinc/69/18/03/1070691803.db2.gz UECLDBAZKFMEFP-ZRBLBEILSA-N 1 1 498.672 3.774 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 ZINC001313575862 1070691926 /nfs/dbraw/zinc/69/19/26/1070691926.db2.gz UUHQEINKFOEFFZ-HSZRJFAPSA-N 1 1 466.655 3.535 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(=O)NC)C2)c1 ZINC001313576221 1070692653 /nfs/dbraw/zinc/69/26/53/1070692653.db2.gz WRSLGTWEGYXTDV-MVOZIGHISA-N 1 1 496.700 3.659 20 0 JHADMO COC(=O)c1ccc(S(=O)(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001309323752 1070699228 /nfs/dbraw/zinc/69/92/28/1070699228.db2.gz WHZAWZUSBTZLKU-WMZOPIPTSA-N 1 1 450.988 3.706 20 0 JHADMO C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC001309331116 1070703896 /nfs/dbraw/zinc/70/38/96/1070703896.db2.gz KOBQVWRJSXIEQG-CQSZACIVSA-N 1 1 456.381 3.628 20 0 JHADMO CCN(c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCN(C(C)=O)CC1)[C@H](C)C1CCC1 ZINC001313582884 1070704763 /nfs/dbraw/zinc/70/47/63/1070704763.db2.gz BHNYOYWBSJSMBM-GOSISDBHSA-N 1 1 459.038 3.778 20 0 JHADMO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[NH+]1CCOCC1)C(C)C ZINC001313588676 1070715968 /nfs/dbraw/zinc/71/59/68/1070715968.db2.gz GMFSFLYXUQYONZ-UHFFFAOYSA-N 1 1 466.424 3.673 20 0 JHADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNS(=O)(=O)CC3Cc4ccccc4C3)cc2)C[C@H]1C ZINC001309358257 1070720743 /nfs/dbraw/zinc/72/07/43/1070720743.db2.gz WUMWLEOKOZKUMZ-OYRHEFFESA-N 1 1 456.652 3.530 20 0 JHADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001314627880 1070722070 /nfs/dbraw/zinc/72/20/70/1070722070.db2.gz DFGJFKCUOMUZFZ-HSZRJFAPSA-N 1 1 498.075 3.559 20 0 JHADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628189 1070723575 /nfs/dbraw/zinc/72/35/75/1070723575.db2.gz GVJRJNNAZHBWKB-BJKOFHAPSA-N 1 1 496.700 3.561 20 0 JHADMO CCN(c1nnc(C2CCCC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001313599525 1070724169 /nfs/dbraw/zinc/72/41/69/1070724169.db2.gz LTKRMYJWFRIVFB-OFNKIYASSA-N 1 1 473.687 3.860 20 0 JHADMO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc[nH+]c1C)C1CC1 ZINC001313601872 1070725239 /nfs/dbraw/zinc/72/52/39/1070725239.db2.gz GRIUIYGBOTWUMQ-IBGZPJMESA-N 1 1 457.623 3.977 20 0 JHADMO CCN(CC(C)(C)O)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309364501 1070725846 /nfs/dbraw/zinc/72/58/46/1070725846.db2.gz GOXHBVUWAYDJMM-FCHUYYIVSA-N 1 1 451.032 3.731 20 0 JHADMO CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC001313603798 1070726915 /nfs/dbraw/zinc/72/69/15/1070726915.db2.gz HBNIFJDPIGRZFE-JOCHJYFZSA-N 1 1 490.693 3.738 20 0 JHADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)C1CCCCC1 ZINC001314629643 1070728370 /nfs/dbraw/zinc/72/83/70/1070728370.db2.gz QTYOSQLXBWNASU-OAQYLSRUSA-N 1 1 458.676 3.642 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001313625701 1070754547 /nfs/dbraw/zinc/75/45/47/1070754547.db2.gz CRSNFHCTGQGJHP-RUZDIDTESA-N 1 1 453.587 3.666 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313627390 1070757263 /nfs/dbraw/zinc/75/72/63/1070757263.db2.gz VJWCNKXNYYLTBG-QGZVFWFLSA-N 1 1 450.425 3.911 20 0 JHADMO CCN(CC)C(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC001313636495 1070773405 /nfs/dbraw/zinc/77/34/05/1070773405.db2.gz KVSQFBQGYYCKCL-ZJSXRUAMSA-N 1 1 496.700 3.554 20 0 JHADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC001309467714 1070788373 /nfs/dbraw/zinc/78/83/73/1070788373.db2.gz KZKMCSHGJOZYHO-NVXWUHKLSA-N 1 1 456.486 3.899 20 0 JHADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313641396 1070787243 /nfs/dbraw/zinc/78/72/43/1070787243.db2.gz YCLKWOCNNHBCLH-JYFHCDHNSA-N 1 1 487.714 3.553 20 0 JHADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313641395 1070787464 /nfs/dbraw/zinc/78/74/64/1070787464.db2.gz YCLKWOCNNHBCLH-BVAGGSTKSA-N 1 1 487.714 3.553 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(F)ccc2F)CC1 ZINC001313643372 1070793371 /nfs/dbraw/zinc/79/33/71/1070793371.db2.gz GHPDETMFOBTNMN-UHFFFAOYSA-N 1 1 486.567 3.554 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(F)ccc2F)CC1 ZINC001313643372 1070793388 /nfs/dbraw/zinc/79/33/88/1070793388.db2.gz GHPDETMFOBTNMN-UHFFFAOYSA-N 1 1 486.567 3.554 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313644825 1070799485 /nfs/dbraw/zinc/79/94/85/1070799485.db2.gz KNHFVNJYTHVRIH-DNQXCXABSA-N 1 1 496.700 3.982 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313644825 1070799499 /nfs/dbraw/zinc/79/94/99/1070799499.db2.gz KNHFVNJYTHVRIH-DNQXCXABSA-N 1 1 496.700 3.982 20 0 JHADMO CN(c1nnc(-c2ccccc2Cl)n1CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCSC1 ZINC001314669469 1070808252 /nfs/dbraw/zinc/80/82/52/1070808252.db2.gz HCRQHKHLFGXNHN-IBGZPJMESA-N 1 1 463.095 3.814 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313648325 1070816104 /nfs/dbraw/zinc/81/61/04/1070816104.db2.gz VURQHMQURDFKKA-OAQYLSRUSA-N 1 1 452.647 3.648 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313648325 1070816135 /nfs/dbraw/zinc/81/61/35/1070816135.db2.gz VURQHMQURDFKKA-OAQYLSRUSA-N 1 1 452.647 3.648 20 0 JHADMO CN(c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001314680993 1070833625 /nfs/dbraw/zinc/83/36/25/1070833625.db2.gz BVMKIJIJAVHMAY-UHFFFAOYSA-N 1 1 452.372 3.556 20 0 JHADMO CN(c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOC(C)(C)C1)C1CCC1 ZINC001314683092 1070837635 /nfs/dbraw/zinc/83/76/35/1070837635.db2.gz GAWSMVJATXTSLE-UHFFFAOYSA-N 1 1 454.438 3.869 20 0 JHADMO CN(c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOC(C)(C)C1)C1CCC1 ZINC001314683092 1070837666 /nfs/dbraw/zinc/83/76/66/1070837666.db2.gz GAWSMVJATXTSLE-UHFFFAOYSA-N 1 1 454.438 3.869 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313655431 1070844383 /nfs/dbraw/zinc/84/43/83/1070844383.db2.gz NANPHRCSPHMPGL-JOCHJYFZSA-N 1 1 473.710 3.859 20 0 JHADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC001309548281 1070846310 /nfs/dbraw/zinc/84/63/10/1070846310.db2.gz PNTXCJXYVFLANP-NRFANRHFSA-N 1 1 457.999 3.835 20 0 JHADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001309562411 1070858587 /nfs/dbraw/zinc/85/85/87/1070858587.db2.gz YVPGOYVTAUXTSY-GOSISDBHSA-N 1 1 450.988 3.707 20 0 JHADMO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001309568815 1070863079 /nfs/dbraw/zinc/86/30/79/1070863079.db2.gz KQHWRKZBDGMKCR-VQTJNVASSA-N 1 1 474.579 3.620 20 0 JHADMO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001309568815 1070863100 /nfs/dbraw/zinc/86/31/00/1070863100.db2.gz KQHWRKZBDGMKCR-VQTJNVASSA-N 1 1 474.579 3.620 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001313671044 1070899146 /nfs/dbraw/zinc/89/91/46/1070899146.db2.gz NLZWTQYSAKGDRT-PKTZIBPZSA-N 1 1 461.658 3.705 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(C)(C)O ZINC001314713077 1070899495 /nfs/dbraw/zinc/89/94/95/1070899495.db2.gz CTFNYLXOXOHJIR-UHFFFAOYSA-N 1 1 482.629 3.556 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cccc1Cl ZINC001314714426 1070903203 /nfs/dbraw/zinc/90/32/03/1070903203.db2.gz UNTLVKUZVDFUDE-GOSISDBHSA-N 1 1 480.028 3.808 20 0 JHADMO CC(C)C[C@H](CO)NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309653659 1070904808 /nfs/dbraw/zinc/90/48/08/1070904808.db2.gz DWSFHIJZRYPAJL-XPWALMASSA-N 1 1 451.032 3.634 20 0 JHADMO CN(CC(C)(C)C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001314716060 1070906197 /nfs/dbraw/zinc/90/61/97/1070906197.db2.gz RNRYKFJXECRZOH-RTBURBONSA-N 1 1 487.649 3.528 20 0 JHADMO O=S(=O)(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309661343 1070908627 /nfs/dbraw/zinc/90/86/27/1070908627.db2.gz OJOGVHYNVWFFQD-PWRODBHTSA-N 1 1 470.969 3.652 20 0 JHADMO CN(CC(F)(F)F)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314718808 1070911004 /nfs/dbraw/zinc/91/10/04/1070911004.db2.gz CWKRGYPOTIQSFF-UHFFFAOYSA-N 1 1 458.960 3.547 20 0 JHADMO CN(CC(F)(F)F)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314718808 1070911015 /nfs/dbraw/zinc/91/10/15/1070911015.db2.gz CWKRGYPOTIQSFF-UHFFFAOYSA-N 1 1 458.960 3.547 20 0 JHADMO CN(CC(F)(F)F)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314718808 1070911042 /nfs/dbraw/zinc/91/10/42/1070911042.db2.gz CWKRGYPOTIQSFF-UHFFFAOYSA-N 1 1 458.960 3.547 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(C)(=O)=O)c1)c1ccsc1 ZINC001313675097 1070914297 /nfs/dbraw/zinc/91/42/97/1070914297.db2.gz MKTKNTVXQXKWCA-HXUWFJFHSA-N 1 1 499.666 3.970 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314720669 1070915492 /nfs/dbraw/zinc/91/54/92/1070915492.db2.gz DEFTZJVAMZVCOF-UHFFFAOYSA-N 1 1 489.455 3.704 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314720669 1070915509 /nfs/dbraw/zinc/91/55/09/1070915509.db2.gz DEFTZJVAMZVCOF-UHFFFAOYSA-N 1 1 489.455 3.704 20 0 JHADMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314720669 1070915522 /nfs/dbraw/zinc/91/55/22/1070915522.db2.gz DEFTZJVAMZVCOF-UHFFFAOYSA-N 1 1 489.455 3.704 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CC=CCC1 ZINC001314724945 1070927179 /nfs/dbraw/zinc/92/71/79/1070927179.db2.gz AMTRQJXSEBNXKW-UHFFFAOYSA-N 1 1 457.376 3.518 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314725568 1070930715 /nfs/dbraw/zinc/93/07/15/1070930715.db2.gz PQNSJUTZSKPJHM-HNNXBMFYSA-N 1 1 452.397 3.648 20 0 JHADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313683386 1070944099 /nfs/dbraw/zinc/94/40/99/1070944099.db2.gz CAGGVCOOELFZHQ-UHFFFAOYSA-N 1 1 479.467 3.588 20 0 JHADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313683386 1070944105 /nfs/dbraw/zinc/94/41/05/1070944105.db2.gz CAGGVCOOELFZHQ-UHFFFAOYSA-N 1 1 479.467 3.588 20 0 JHADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313683386 1070944110 /nfs/dbraw/zinc/94/41/10/1070944110.db2.gz CAGGVCOOELFZHQ-UHFFFAOYSA-N 1 1 479.467 3.588 20 0 JHADMO CN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314729976 1070945958 /nfs/dbraw/zinc/94/59/58/1070945958.db2.gz NHZYQKLIZOENII-QGZVFWFLSA-N 1 1 461.035 3.928 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2cccc(F)c2OC)cc1 ZINC001309749276 1070952464 /nfs/dbraw/zinc/95/24/64/1070952464.db2.gz KXRVRSXEUQNQPS-JTHBVZDNSA-N 1 1 470.566 3.789 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001313694242 1070956550 /nfs/dbraw/zinc/95/65/50/1070956550.db2.gz SMNSOZBJXGXDAU-OAQYLSRUSA-N 1 1 471.675 3.840 20 0 JHADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314736464 1070962626 /nfs/dbraw/zinc/96/26/26/1070962626.db2.gz KVDQFJDPSXNHIF-UHFFFAOYSA-N 1 1 461.582 3.956 20 0 JHADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCOCC1(C)C ZINC001314736464 1070962636 /nfs/dbraw/zinc/96/26/36/1070962636.db2.gz KVDQFJDPSXNHIF-UHFFFAOYSA-N 1 1 461.582 3.956 20 0 JHADMO CN(Cc1ccccc1Br)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CC=CCC1 ZINC001314746622 1070992417 /nfs/dbraw/zinc/99/24/17/1070992417.db2.gz OEJNNDBUZZSTAK-UHFFFAOYSA-N 1 1 467.415 3.925 20 0 JHADMO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)C)CC2)cc1 ZINC001313705250 1070992423 /nfs/dbraw/zinc/99/24/23/1070992423.db2.gz PGONZHOVXIWRRI-DEOSSOPVSA-N 1 1 454.663 3.593 20 0 JHADMO CN(Cc1ccccn1)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314750319 1071001714 /nfs/dbraw/zinc/00/17/14/1071001714.db2.gz LMAUHRXNYRDXCP-UHFFFAOYSA-N 1 1 485.430 3.850 20 0 JHADMO CN(Cc1ccccn1)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314750319 1071001730 /nfs/dbraw/zinc/00/17/30/1071001730.db2.gz LMAUHRXNYRDXCP-UHFFFAOYSA-N 1 1 485.430 3.850 20 0 JHADMO CN(Cc1ccccn1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314754963 1071008195 /nfs/dbraw/zinc/00/81/95/1071008195.db2.gz OBTQZTKEHZBJPV-UHFFFAOYSA-N 1 1 467.643 3.566 20 0 JHADMO 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 1071017439 /nfs/dbraw/zinc/01/74/39/1071017439.db2.gz VVXNKDSOAZUJIT-QHAWAJNXSA-N 1 1 457.667 3.687 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001313727994 1071038229 /nfs/dbraw/zinc/03/82/29/1071038229.db2.gz BYXPEZDSAFHHIH-LJQANCHMSA-N 1 1 461.614 3.551 20 0 JHADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC001309981397 1071038226 /nfs/dbraw/zinc/03/82/26/1071038226.db2.gz WEYIMKXMUUFCBX-UHFFFAOYSA-N 1 1 451.596 3.788 20 0 JHADMO NC(=O)CSc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001309985615 1071039834 /nfs/dbraw/zinc/03/98/34/1071039834.db2.gz ARCLIABFZFMISD-INIZCTEOSA-N 1 1 452.502 3.679 20 0 JHADMO C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001309991554 1071041756 /nfs/dbraw/zinc/04/17/56/1071041756.db2.gz KMRSCJAAPPTNGP-VGSWGCGISA-N 1 1 456.974 3.878 20 0 JHADMO C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001309991554 1071041764 /nfs/dbraw/zinc/04/17/64/1071041764.db2.gz KMRSCJAAPPTNGP-VGSWGCGISA-N 1 1 456.974 3.878 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001313731301 1071047162 /nfs/dbraw/zinc/04/71/62/1071047162.db2.gz QMVNWRKGBARMDR-AVRDEDQJSA-N 1 1 463.573 3.671 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313733087 1071051062 /nfs/dbraw/zinc/05/10/62/1071051062.db2.gz JMXRHNCJMKMAFW-QGZVFWFLSA-N 1 1 458.969 3.880 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313733653 1071052610 /nfs/dbraw/zinc/05/26/10/1071052610.db2.gz HTHVORWFNIXKLW-GMAHTHKFSA-N 1 1 459.610 3.695 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCCO2)n1CCCn1cc[nH+]c1C ZINC001313733904 1071053085 /nfs/dbraw/zinc/05/30/85/1071053085.db2.gz MORABXSRCYKRAC-HSZRJFAPSA-N 1 1 479.629 3.843 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313734526 1071054636 /nfs/dbraw/zinc/05/46/36/1071054636.db2.gz VRJZUYNFOKSDIQ-SJLPKXTDSA-N 1 1 454.040 3.839 20 0 JHADMO 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 1071055083 /nfs/dbraw/zinc/05/50/83/1071055083.db2.gz CNONVWRKOHBKTP-YZGWKJHDSA-N 1 1 487.649 3.794 20 0 JHADMO CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314783310 1071059001 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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 1071359435 /nfs/dbraw/zinc/35/94/35/1071359435.db2.gz BNCPNFLKEUGBLV-HBFSDRIKSA-N 1 1 471.602 3.583 20 0 JHADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(C)(C)C)CC1 ZINC001314923748 1071366401 /nfs/dbraw/zinc/36/64/01/1071366401.db2.gz GXCFBVKNPIIQND-IBGZPJMESA-N 1 1 474.053 3.563 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@H]1C ZINC001313859621 1071365316 /nfs/dbraw/zinc/36/53/16/1071365316.db2.gz HHPWMCWFEPBFAT-RTBURBONSA-N 1 1 494.478 3.988 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001313860036 1071366897 /nfs/dbraw/zinc/36/68/97/1071366897.db2.gz IONRTSGHYGLDBL-OKZBNKHCSA-N 1 1 475.037 3.517 20 0 JHADMO CN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC001314925544 1071367912 /nfs/dbraw/zinc/36/79/12/1071367912.db2.gz BBOWKNVGZBKGGF-AREMUKBSSA-N 1 1 455.647 3.990 20 0 JHADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001314925351 1071368056 /nfs/dbraw/zinc/36/80/56/1071368056.db2.gz XHLQETATAJJLOE-OAQYLSRUSA-N 1 1 488.627 3.770 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)C[C@H]1C ZINC001313860217 1071369257 /nfs/dbraw/zinc/36/92/57/1071369257.db2.gz JFRGARDWGMAXDL-UFPGJGBJSA-N 1 1 471.646 3.625 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314926218 1071369405 /nfs/dbraw/zinc/36/94/05/1071369405.db2.gz DHKMAILQOOBLDP-NRFANRHFSA-N 1 1 458.695 3.826 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@@H]1C ZINC001313860915 1071372344 /nfs/dbraw/zinc/37/23/44/1071372344.db2.gz NEXQEHPXORRWNA-JKSUJKDBSA-N 1 1 450.425 3.706 20 0 JHADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCCCSC)c2ccccc2c1=O ZINC001313861076 1071372718 /nfs/dbraw/zinc/37/27/18/1071372718.db2.gz BVNDXDKHCFKZHX-OALUTQOASA-N 1 1 483.686 3.737 20 0 JHADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC001314929148 1071373032 /nfs/dbraw/zinc/37/30/32/1071373032.db2.gz VMKMNBUDVACITE-CVDCTZTESA-N 1 1 481.563 3.530 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313862360 1071375980 /nfs/dbraw/zinc/37/59/80/1071375980.db2.gz PYVZNRALSVDYIJ-RZUBCFFCSA-N 1 1 480.661 3.715 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCc2nccnc2C)C[C@H]1C ZINC001313862371 1071376299 /nfs/dbraw/zinc/37/62/99/1071376299.db2.gz QCKCADLSEKPEPJ-IAGOWNOFSA-N 1 1 484.446 3.968 20 0 JHADMO 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 1071376513 /nfs/dbraw/zinc/37/65/13/1071376513.db2.gz OJHBWVOQYRZGHJ-OGNFBWPZSA-N 1 1 467.536 3.900 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313863049 1071379479 /nfs/dbraw/zinc/37/94/79/1071379479.db2.gz UYIDEWXWIUZRGT-HZPDHXFCSA-N 1 1 454.541 3.987 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001313862886 1071379644 /nfs/dbraw/zinc/37/96/44/1071379644.db2.gz COWFVUOANXSPCF-LEWJYISDSA-N 1 1 471.646 3.706 20 0 JHADMO CC[C@H](CNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC001310421290 1071380154 /nfs/dbraw/zinc/38/01/54/1071380154.db2.gz RAFALSDYZXZCBA-XMMPIXPASA-N 1 1 450.583 3.554 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313863323 1071381308 /nfs/dbraw/zinc/38/13/08/1071381308.db2.gz CWLWBMYAEQHTAD-OALUTQOASA-N 1 1 463.630 3.717 20 0 JHADMO 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 1071386491 /nfs/dbraw/zinc/38/64/91/1071386491.db2.gz UZSRLDVGXQNKTD-HHJKRLRDSA-N 1 1 492.064 3.948 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@H]1C ZINC001313864677 1071388306 /nfs/dbraw/zinc/38/83/06/1071388306.db2.gz VPOZQORNMKZTCD-UFPGJGBJSA-N 1 1 455.647 3.870 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313865350 1071391970 /nfs/dbraw/zinc/39/19/70/1071391970.db2.gz AGHPXOMDNFCDCL-FKEBYFGASA-N 1 1 455.647 3.663 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314940699 1071392281 /nfs/dbraw/zinc/39/22/81/1071392281.db2.gz NYEXLUHCTOUMBS-NRFANRHFSA-N 1 1 481.689 3.517 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865518 1071393235 /nfs/dbraw/zinc/39/32/35/1071393235.db2.gz DYZSGCOPWGHNEA-SFTDATJTSA-N 1 1 484.693 3.576 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313866247 1071395196 /nfs/dbraw/zinc/39/51/96/1071395196.db2.gz FQLWBZJHFFNPNS-PMACEKPBSA-N 1 1 456.038 3.922 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313867269 1071399712 /nfs/dbraw/zinc/39/97/12/1071399712.db2.gz IYFCQEKRTXAJOK-LEWJYISDSA-N 1 1 470.662 3.897 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)C[C@@H]1C ZINC001313866343 1071395359 /nfs/dbraw/zinc/39/53/59/1071395359.db2.gz FYLJLMOVDQHXCF-LEWJYISDSA-N 1 1 482.673 3.683 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@@H]1C ZINC001313866398 1071395905 /nfs/dbraw/zinc/39/59/05/1071395905.db2.gz ZGWXKWHBRKPKPC-SLFFLAALSA-N 1 1 452.603 3.518 20 0 JHADMO 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 1071396402 /nfs/dbraw/zinc/39/64/02/1071396402.db2.gz KSCFLVWSSVFONX-FGSXEWAUSA-N 1 1 457.619 3.696 20 0 JHADMO 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 1071398428 /nfs/dbraw/zinc/39/84/28/1071398428.db2.gz LFMPDCWYKIXUIY-IXDOHACOSA-N 1 1 478.041 3.826 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313867690 1071400903 /nfs/dbraw/zinc/40/09/03/1071400903.db2.gz ADLYYPGFDJEALD-ROUUACIJSA-N 1 1 489.546 3.838 20 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CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313874012 1071427218 /nfs/dbraw/zinc/42/72/18/1071427218.db2.gz FTFICUXZJUOMOT-MOPGFXCFSA-N 1 1 469.659 3.795 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874036 1071427233 /nfs/dbraw/zinc/42/72/33/1071427233.db2.gz FYQNTZJQDAMGST-MOPGFXCFSA-N 1 1 473.572 3.708 20 0 JHADMO 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 1071427770 /nfs/dbraw/zinc/42/77/70/1071427770.db2.gz NQZJEVAQUZBYRH-ACRUOGEOSA-N 1 1 485.677 3.686 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875122 1071431994 /nfs/dbraw/zinc/43/19/94/1071431994.db2.gz LEGDSODXQUHBHD-ROUUACIJSA-N 1 1 471.005 3.881 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001313875110 1071432151 /nfs/dbraw/zinc/43/21/51/1071432151.db2.gz LBBUJCZVIYUALH-RBUKOAKNSA-N 1 1 472.037 3.769 20 0 JHADMO 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JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001313875538 1071435442 /nfs/dbraw/zinc/43/54/42/1071435442.db2.gz MOQXLLBFRFRQFE-VQTJNVASSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@H]1C ZINC001313876965 1071439897 /nfs/dbraw/zinc/43/98/97/1071439897.db2.gz PSSXOEIMWZCARD-MSOLQXFVSA-N 1 1 470.618 3.570 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877319 1071441621 /nfs/dbraw/zinc/44/16/21/1071441621.db2.gz WQBQUKFDRLCDCD-FGZHOGPDSA-N 1 1 452.647 3.965 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001313878492 1071445312 /nfs/dbraw/zinc/44/53/12/1071445312.db2.gz YPAYYGGUFVHKSE-RZUBCFFCSA-N 1 1 494.606 3.826 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313878863 1071447005 /nfs/dbraw/zinc/44/70/05/1071447005.db2.gz ZHQLTBMQZDLTMI-SJORKVTESA-N 1 1 473.021 3.921 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC001313879079 1071447754 /nfs/dbraw/zinc/44/77/54/1071447754.db2.gz YPUBTLRUVWVOBD-IAGOWNOFSA-N 1 1 489.455 3.997 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314966061 1071448397 /nfs/dbraw/zinc/44/83/97/1071448397.db2.gz YRHSATGOXJELPO-NJYVYQBISA-N 1 1 472.703 3.818 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879372 1071449393 /nfs/dbraw/zinc/44/93/93/1071449393.db2.gz ZNPZTPITRRUFFX-WOJBJXKFSA-N 1 1 450.587 3.536 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001313878754 1071445968 /nfs/dbraw/zinc/44/59/68/1071445968.db2.gz VIPWJARQTQNKBT-RBUKOAKNSA-N 1 1 458.010 3.635 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001314967294 1071452743 /nfs/dbraw/zinc/45/27/43/1071452743.db2.gz YIUWYJUBBAUGHP-HFJWLAOPSA-N 1 1 452.647 3.688 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)C[C@@H]1C ZINC001313881256 1071454282 /nfs/dbraw/zinc/45/42/82/1071454282.db2.gz BMCVFIOCDZWUFY-QRICJDHISA-N 1 1 459.610 3.693 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001313883811 1071462784 /nfs/dbraw/zinc/46/27/84/1071462784.db2.gz JSEAFNJCPCKLHN-HXUWFJFHSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@H]1C ZINC001313885375 1071465793 /nfs/dbraw/zinc/46/57/93/1071465793.db2.gz OTYFHEVEUFRFFU-HTDNTCHWSA-N 1 1 455.647 3.781 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001313885357 1071466602 /nfs/dbraw/zinc/46/66/02/1071466602.db2.gz BZMXONVKARZILM-IBGZPJMESA-N 1 1 457.619 3.698 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001313886064 1071468949 /nfs/dbraw/zinc/46/89/49/1071468949.db2.gz LTBFSHRBNPQGQW-JTHBVZDNSA-N 1 1 482.673 3.769 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313886342 1071470861 /nfs/dbraw/zinc/47/08/61/1071470861.db2.gz SBKJBKLZCAURPO-OALUTQOASA-N 1 1 498.701 3.893 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313886743 1071470910 /nfs/dbraw/zinc/47/09/10/1071470910.db2.gz PVOUYOATWSNTIM-IBGZPJMESA-N 1 1 489.064 3.644 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314978143 1071474857 /nfs/dbraw/zinc/47/48/57/1071474857.db2.gz QCBMHVMQSDWTGO-AJTFRIOCSA-N 1 1 482.673 3.783 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313887992 1071475156 /nfs/dbraw/zinc/47/51/56/1071475156.db2.gz FMDXNAOWMGUGHS-KRWDZBQOSA-N 1 1 479.456 3.946 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001313889586 1071480639 /nfs/dbraw/zinc/48/06/39/1071480639.db2.gz IKRSVHRNZGQCSB-CLOONOSVSA-N 1 1 492.064 3.959 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC(C)(C)OC[C@@H]2C)C1 ZINC001313888274 1071476100 /nfs/dbraw/zinc/47/61/00/1071476100.db2.gz BBQYTOHDEBUEPY-RBUKOAKNSA-N 1 1 459.660 3.925 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC001313888444 1071476704 /nfs/dbraw/zinc/47/67/04/1071476704.db2.gz OLUCKTKNTOOIGM-NRFANRHFSA-N 1 1 475.081 3.673 20 0 JHADMO 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 1071478351 /nfs/dbraw/zinc/47/83/51/1071478351.db2.gz XDRLFDONJFIZDI-UFYCRDLUSA-N 1 1 476.666 3.574 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001314979490 1071479361 /nfs/dbraw/zinc/47/93/61/1071479361.db2.gz VZTOJLFWXZSDJT-HHHXNRCGSA-N 1 1 482.673 3.558 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cnccn2)C1 ZINC001313890211 1071482446 /nfs/dbraw/zinc/48/24/46/1071482446.db2.gz MTWXMWNGHBYBQU-QGZVFWFLSA-N 1 1 470.419 3.784 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001313891107 1071483827 /nfs/dbraw/zinc/48/38/27/1071483827.db2.gz RJUAEACMCYWJFL-WMZOPIPTSA-N 1 1 468.429 3.835 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001313891534 1071485433 /nfs/dbraw/zinc/48/54/33/1071485433.db2.gz XCNDOWTWTAWIDA-PKOBYXMFSA-N 1 1 477.078 3.623 20 0 JHADMO 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 1071486884 /nfs/dbraw/zinc/48/68/84/1071486884.db2.gz CZIMUSCPRPNSKP-SVFBPWRDSA-N 1 1 491.080 3.991 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313892836 1071488628 /nfs/dbraw/zinc/48/86/28/1071488628.db2.gz JCVFTURSRZJFSR-PWRODBHTSA-N 1 1 475.609 3.672 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001313893430 1071490124 /nfs/dbraw/zinc/49/01/24/1071490124.db2.gz OBLZTWNKIKUFFN-AWEZNQCLSA-N 1 1 462.421 3.537 20 0 JHADMO CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001313894851 1071495014 /nfs/dbraw/zinc/49/50/14/1071495014.db2.gz XIYCNNRPWYPNSK-RLLQIKCJSA-N 1 1 496.077 3.569 20 0 JHADMO 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 1071496560 /nfs/dbraw/zinc/49/65/60/1071496560.db2.gz ZMUGBGVCEHTOQS-KSEOMHKRSA-N 1 1 488.702 3.695 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](COC)C1 ZINC001313895395 1071497081 /nfs/dbraw/zinc/49/70/81/1071497081.db2.gz HVEPCDUDTCYYNM-VQTJNVASSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313895404 1071497150 /nfs/dbraw/zinc/49/71/50/1071497150.db2.gz HXVYFGWJPUKXJK-NHCUHLMSSA-N 1 1 492.462 3.824 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313895864 1071498645 /nfs/dbraw/zinc/49/86/45/1071498645.db2.gz LGDNFWWOLLQYAA-NQIIRXRSSA-N 1 1 497.562 3.993 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313897178 1071501848 /nfs/dbraw/zinc/50/18/48/1071501848.db2.gz UYWPLPWIYRFLJC-SFTDATJTSA-N 1 1 485.629 3.615 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001313900126 1071508497 /nfs/dbraw/zinc/50/84/97/1071508497.db2.gz MZYMAGQDWHOWPP-SFTDATJTSA-N 1 1 453.635 3.519 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313898097 1071504397 /nfs/dbraw/zinc/50/43/97/1071504397.db2.gz NZUVICHGBSRQOL-LEWJYISDSA-N 1 1 491.105 3.924 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 ZINC001313898341 1071504979 /nfs/dbraw/zinc/50/49/79/1071504979.db2.gz RATOGFIJBKZVPB-NRFANRHFSA-N 1 1 489.064 3.599 20 0 JHADMO 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 1071505293 /nfs/dbraw/zinc/50/52/93/1071505293.db2.gz QJGMCKJKRIXTBI-PLACYPQZSA-N 1 1 476.666 3.601 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898784 1071505638 /nfs/dbraw/zinc/50/56/38/1071505638.db2.gz DUDAJBJAPPEKSV-SESVDKBCSA-N 1 1 460.667 3.845 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898923 1071506380 /nfs/dbraw/zinc/50/63/80/1071506380.db2.gz DOGKZLQLOVAZGL-FNAHDJPLSA-N 1 1 490.693 3.786 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001313899214 1071507931 /nfs/dbraw/zinc/50/79/31/1071507931.db2.gz HBAQPQRSQKISFO-QHCPKHFHSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCCCO ZINC001313900911 1071510250 /nfs/dbraw/zinc/51/02/50/1071510250.db2.gz CYPIIWYCZVFMHT-KRWDZBQOSA-N 1 1 450.425 3.791 20 0 JHADMO CCn1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@H+]2CC)cn1 ZINC001313901724 1071512666 /nfs/dbraw/zinc/51/26/66/1071512666.db2.gz BZOWETLVBQVWIO-QFIPXVFZSA-N 1 1 451.619 3.811 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001313902580 1071513526 /nfs/dbraw/zinc/51/35/26/1071513526.db2.gz GQRTUOBXIVEQSD-IRLDBZIGSA-N 1 1 451.619 3.830 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1 ZINC001313902946 1071514276 /nfs/dbraw/zinc/51/42/76/1071514276.db2.gz AOPQZUUPVFMXHV-KSZLIROESA-N 1 1 468.593 3.769 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904725 1071520027 /nfs/dbraw/zinc/52/00/27/1071520027.db2.gz LGTXXLQDSLVDHV-LEWJYISDSA-N 1 1 457.598 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313903859 1071516777 /nfs/dbraw/zinc/51/67/77/1071516777.db2.gz FAYALEIPXHXSJI-FDFHNCONSA-N 1 1 468.646 3.576 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br ZINC001313904453 1071518120 /nfs/dbraw/zinc/51/81/20/1071518120.db2.gz HZLPTDZOANPMGE-AWEZNQCLSA-N 1 1 460.380 3.678 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313904704 1071519936 /nfs/dbraw/zinc/51/99/36/1071519936.db2.gz SECLNDSMQQHNRD-LJQANCHMSA-N 1 1 498.569 3.672 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313906636 1071524757 /nfs/dbraw/zinc/52/47/57/1071524757.db2.gz YDLCODMRUFCQEP-KNQAVFIVSA-N 1 1 459.038 3.778 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313906627 1071525050 /nfs/dbraw/zinc/52/50/50/1071525050.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313906627 1071525062 /nfs/dbraw/zinc/52/50/62/1071525062.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001313905953 1071522739 /nfs/dbraw/zinc/52/27/39/1071522739.db2.gz WMUCMNBLYPDASE-FPOVZHCZSA-N 1 1 466.655 3.994 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001313905797 1071522836 /nfs/dbraw/zinc/52/28/36/1071522836.db2.gz RZCYVHYKTVXBSO-NRFANRHFSA-N 1 1 488.702 3.696 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001313906146 1071523628 /nfs/dbraw/zinc/52/36/28/1071523628.db2.gz TYXVIPFYFCRENT-OAQYLSRUSA-N 1 1 487.645 3.672 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313907205 1071526409 /nfs/dbraw/zinc/52/64/09/1071526409.db2.gz ACGWHTXNLDYHGH-FQEVSTJZSA-N 1 1 489.064 3.786 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313907243 1071526821 /nfs/dbraw/zinc/52/68/21/1071526821.db2.gz ZYEJFXLBGNALFA-BWAGFHJFSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313907242 1071527302 /nfs/dbraw/zinc/52/73/02/1071527302.db2.gz ARLCDNJVNZDIKZ-UZUQRXQVSA-N 1 1 463.001 3.574 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001313908812 1071531064 /nfs/dbraw/zinc/53/10/64/1071531064.db2.gz OZVZZJLYFIIYKU-KRWDZBQOSA-N 1 1 470.971 3.999 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313907721 1071528835 /nfs/dbraw/zinc/52/88/35/1071528835.db2.gz ANEZPZDDFUXGLF-QHCPKHFHSA-N 1 1 492.672 3.706 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001313908325 1071529454 /nfs/dbraw/zinc/52/94/54/1071529454.db2.gz ILZUXCCBYUXRSA-QFIPXVFZSA-N 1 1 481.670 3.504 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001313908212 1071529684 /nfs/dbraw/zinc/52/96/84/1071529684.db2.gz BNHVAFKSWUYGAE-QFIPXVFZSA-N 1 1 488.702 3.533 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313908403 1071530288 /nfs/dbraw/zinc/53/02/88/1071530288.db2.gz NOXMOXVUWRDRHR-KRWDZBQOSA-N 1 1 484.041 3.625 20 0 JHADMO CNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001315003926 1071530472 /nfs/dbraw/zinc/53/04/72/1071530472.db2.gz ZUOQYVJDEVSUNX-UHFFFAOYSA-N 1 1 489.064 3.595 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313909214 1071530767 /nfs/dbraw/zinc/53/07/67/1071530767.db2.gz PUUKKLXTUFLOTN-CPJSRVTESA-N 1 1 457.619 3.842 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCOc1ccccc1C ZINC001313910406 1071535200 /nfs/dbraw/zinc/53/52/00/1071535200.db2.gz XIRFQVSGULESLF-QHCPKHFHSA-N 1 1 465.646 3.838 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313910452 1071535328 /nfs/dbraw/zinc/53/53/28/1071535328.db2.gz KFZYQBYKGSKZPM-SFHVURJKSA-N 1 1 483.558 3.545 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313910615 1071535833 /nfs/dbraw/zinc/53/58/33/1071535833.db2.gz XLYOQAGSZUAQTJ-FUHWJXTLSA-N 1 1 479.000 3.889 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313910587 1071535977 /nfs/dbraw/zinc/53/59/77/1071535977.db2.gz XCUCBWOOZDRONH-RTWAWAEBSA-N 1 1 456.635 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911930 1071538529 /nfs/dbraw/zinc/53/85/29/1071538529.db2.gz STFWQTIFVINMJV-HMXCVIKNSA-N 1 1 469.634 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912180 1071539431 /nfs/dbraw/zinc/53/94/31/1071539431.db2.gz MUIRNYBLPMQMCE-NJYVYQBISA-N 1 1 476.666 3.840 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001315020459 1071540141 /nfs/dbraw/zinc/54/01/41/1071540141.db2.gz OENVGJDOOQZLIH-UHFFFAOYSA-N 1 1 452.647 3.728 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313914340 1071546718 /nfs/dbraw/zinc/54/67/18/1071546718.db2.gz MMPMWHBXUJYOMP-RDGPPVDQSA-N 1 1 459.557 3.655 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914758 1071548798 /nfs/dbraw/zinc/54/87/98/1071548798.db2.gz NPJCIUDDYJAJFN-DPLHUUCSSA-N 1 1 465.708 3.771 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001315027071 1071553347 /nfs/dbraw/zinc/55/33/47/1071553347.db2.gz PBXKLRFLIFKTCV-GOSISDBHSA-N 1 1 477.053 3.690 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315025154 1071549253 /nfs/dbraw/zinc/54/92/53/1071549253.db2.gz CMTDEULZODXYCL-RUZDIDTESA-N 1 1 480.701 3.926 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313915122 1071550010 /nfs/dbraw/zinc/55/00/10/1071550010.db2.gz PWCXTGJOZNYYOJ-IRLDBZIGSA-N 1 1 484.689 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313915489 1071550457 /nfs/dbraw/zinc/55/04/57/1071550457.db2.gz SQLKOSIHXKPWRN-KRWDZBQOSA-N 1 1 485.526 3.764 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313915796 1071551576 /nfs/dbraw/zinc/55/15/76/1071551576.db2.gz SRWFVWIYFOOQGU-WOJBJXKFSA-N 1 1 487.670 3.843 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313916496 1071552974 /nfs/dbraw/zinc/55/29/74/1071552974.db2.gz YFNORJJHPBNZKD-MJGOQNOKSA-N 1 1 477.078 3.765 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CC=CCC1 ZINC001315031882 1071562243 /nfs/dbraw/zinc/56/22/43/1071562243.db2.gz BHBQVPJFMUFVIX-IBGZPJMESA-N 1 1 475.037 3.523 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315033422 1071564240 /nfs/dbraw/zinc/56/42/40/1071564240.db2.gz RMKANLXFPPPDSD-MRXNPFEDSA-N 1 1 465.017 3.820 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315033421 1071564393 /nfs/dbraw/zinc/56/43/93/1071564393.db2.gz RMKANLXFPPPDSD-INIZCTEOSA-N 1 1 465.017 3.820 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@@H+](C)C1CCCC1 ZINC001315037094 1071570314 /nfs/dbraw/zinc/57/03/14/1071570314.db2.gz RPCWQPVNTWELBE-KRWDZBQOSA-N 1 1 458.676 3.578 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CCc3sccc3C)CC2)CC1 ZINC001313923548 1071567458 /nfs/dbraw/zinc/56/74/58/1071567458.db2.gz OVNVHCLOCZRKPK-UHFFFAOYSA-N 1 1 472.703 3.785 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924394 1071570388 /nfs/dbraw/zinc/57/03/88/1071570388.db2.gz DSSWZXGBFSSKLN-RBUKOAKNSA-N 1 1 498.569 3.658 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924241 1071569606 /nfs/dbraw/zinc/56/96/06/1071569606.db2.gz CYJSVWXWCWBGIK-NRFANRHFSA-N 1 1 467.637 3.864 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925033 1071572289 /nfs/dbraw/zinc/57/22/89/1071572289.db2.gz LGFHCPBYFVAGDV-QFIPXVFZSA-N 1 1 477.657 3.790 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313925464 1071574069 /nfs/dbraw/zinc/57/40/69/1071574069.db2.gz RBHMLORSCRVZNO-QGZVFWFLSA-N 1 1 481.458 3.965 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927728 1071581120 /nfs/dbraw/zinc/58/11/20/1071581120.db2.gz JVOJJWFVJXQRRF-OAQYLSRUSA-N 1 1 498.716 3.515 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927720 1071581143 /nfs/dbraw/zinc/58/11/43/1071581143.db2.gz JUAOKIBDSLSTOO-GGAORHGYSA-N 1 1 461.658 3.914 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927863 1071582131 /nfs/dbraw/zinc/58/21/31/1071582131.db2.gz PKRCZOXRBBYQGN-WBADGQHESA-N 1 1 492.778 3.945 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929003 1071585039 /nfs/dbraw/zinc/58/50/39/1071585039.db2.gz WZSSOVUIWGVIBK-BXXSPATCSA-N 1 1 492.778 3.801 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929007 1071585143 /nfs/dbraw/zinc/58/51/43/1071585143.db2.gz RCLRJQOEDRQXCR-SFHVURJKSA-N 1 1 478.657 3.505 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315074662 1071587081 /nfs/dbraw/zinc/58/70/81/1071587081.db2.gz RKFGVOZSHIJWJF-SVFBPWRDSA-N 1 1 457.619 3.994 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@@H]1C ZINC001313929738 1071587286 /nfs/dbraw/zinc/58/72/86/1071587286.db2.gz IRCMTVRUYOJQGR-OALUTQOASA-N 1 1 470.643 3.704 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sccc2C)C[C@@H]1C ZINC001313929628 1071587477 /nfs/dbraw/zinc/58/74/77/1071587477.db2.gz HWJCMUAOYSFFMC-KRWDZBQOSA-N 1 1 473.046 3.810 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@@H]1C ZINC001313929739 1071587526 /nfs/dbraw/zinc/58/75/26/1071587526.db2.gz IRCMTVRUYOJQGR-RBUKOAKNSA-N 1 1 470.643 3.704 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313930296 1071589584 /nfs/dbraw/zinc/58/95/84/1071589584.db2.gz BJGBRRTZOFPHJY-MRXNPFEDSA-N 1 1 490.580 3.568 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930751 1071590307 /nfs/dbraw/zinc/59/03/07/1071590307.db2.gz RKLYZGMLAYLFFK-GOSISDBHSA-N 1 1 461.054 3.870 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313931706 1071593497 /nfs/dbraw/zinc/59/34/97/1071593497.db2.gz SKZIWDOBHMKDRL-IRLDBZIGSA-N 1 1 482.673 3.824 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313931911 1071594039 /nfs/dbraw/zinc/59/40/39/1071594039.db2.gz SWFZXSOZXGLORX-RBUKOAKNSA-N 1 1 477.650 4.000 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313932376 1071595069 /nfs/dbraw/zinc/59/50/69/1071595069.db2.gz VHFOCDZAGNDMCH-NHCUHLMSSA-N 1 1 486.636 3.880 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2=CCCOC2)C[C@H]1C ZINC001313933389 1071598010 /nfs/dbraw/zinc/59/80/10/1071598010.db2.gz LIWCXBQBNLJIKA-OAHLLOKOSA-N 1 1 464.383 3.724 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313932769 1071596332 /nfs/dbraw/zinc/59/63/32/1071596332.db2.gz XGQMLGMGLKURNQ-SFHLNBCPSA-N 1 1 478.037 3.634 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)C[C@@H]1C ZINC001313933687 1071599305 /nfs/dbraw/zinc/59/93/05/1071599305.db2.gz MMFCCAMAQRBOHO-KRWDZBQOSA-N 1 1 457.619 3.938 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C[C@@H]1C ZINC001313934320 1071602400 /nfs/dbraw/zinc/60/24/00/1071602400.db2.gz UCCGHAUZBOJYKM-FUHWJXTLSA-N 1 1 476.419 3.592 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)COC)C[C@H]1C ZINC001313935412 1071605524 /nfs/dbraw/zinc/60/55/24/1071605524.db2.gz ZDVBOIQCOWKLHJ-JKSUJKDBSA-N 1 1 466.424 3.529 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313935574 1071606061 /nfs/dbraw/zinc/60/60/61/1071606061.db2.gz IGBXYYCGUQZRPO-HXUWFJFHSA-N 1 1 470.662 3.615 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001313935578 1071606649 /nfs/dbraw/zinc/60/66/49/1071606649.db2.gz ILUGVIYCCAJBNY-MRXNPFEDSA-N 1 1 456.978 3.589 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313935866 1071607175 /nfs/dbraw/zinc/60/71/75/1071607175.db2.gz JYDVBFTZMZSYLS-INIZCTEOSA-N 1 1 480.451 3.798 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313936558 1071608479 /nfs/dbraw/zinc/60/84/79/1071608479.db2.gz GDIPHDQHHVPCSO-JXFKEZNVSA-N 1 1 478.435 3.870 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313936729 1071609025 /nfs/dbraw/zinc/60/90/25/1071609025.db2.gz IBDOJQZHTFSGDA-SFHVURJKSA-N 1 1 459.635 3.666 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](SC)C(C)(C)C)C[C@H]1C ZINC001313937295 1071610280 /nfs/dbraw/zinc/61/02/80/1071610280.db2.gz LBJTVVIDKUMKEE-CTNGQTDRSA-N 1 1 486.734 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313937492 1071611344 /nfs/dbraw/zinc/61/13/44/1071611344.db2.gz VIBOHNZSWJHKCO-RBUKOAKNSA-N 1 1 472.634 3.645 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001313937926 1071611401 /nfs/dbraw/zinc/61/14/01/1071611401.db2.gz XNTDHLWMOWUGTG-IBGZPJMESA-N 1 1 484.048 3.513 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCCOC)cc2)C[C@H]1C ZINC001313938265 1071612163 /nfs/dbraw/zinc/61/21/63/1071612163.db2.gz YIYOCEJMSNOKAU-LJQANCHMSA-N 1 1 485.032 3.988 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C[C@@H]1C ZINC001313938921 1071612790 /nfs/dbraw/zinc/61/27/90/1071612790.db2.gz YJQFCDIWGIMWQA-SFHVURJKSA-N 1 1 478.707 3.819 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313939481 1071613516 /nfs/dbraw/zinc/61/35/16/1071613516.db2.gz BEOABMNIJWZWDD-IRLDBZIGSA-N 1 1 478.607 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313940348 1071615048 /nfs/dbraw/zinc/61/50/48/1071615048.db2.gz WDLMGMYURSCRHG-MOPGFXCFSA-N 1 1 450.553 3.668 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940466 1071615064 /nfs/dbraw/zinc/61/50/64/1071615064.db2.gz MCAYEBYWJSHVIZ-QFBILLFUSA-N 1 1 459.689 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313941288 1071616788 /nfs/dbraw/zinc/61/67/88/1071616788.db2.gz TWVQILVNASIHNG-HXUWFJFHSA-N 1 1 486.064 3.758 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313941885 1071618238 /nfs/dbraw/zinc/61/82/38/1071618238.db2.gz YMTNYEJSWOXSJN-HXUWFJFHSA-N 1 1 469.655 3.843 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942575 1071620748 /nfs/dbraw/zinc/62/07/48/1071620748.db2.gz KDPGHUBCFULOOW-ICSRJNTNSA-N 1 1 469.552 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCOc2ncccc2F)C[C@H]1C ZINC001313943237 1071621945 /nfs/dbraw/zinc/62/19/45/1071621945.db2.gz QMIBEMIPRWCOJC-HXUWFJFHSA-N 1 1 468.577 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942815 1071621387 /nfs/dbraw/zinc/62/13/87/1071621387.db2.gz OHPUYTWJKAXMAV-UXHICEINSA-N 1 1 472.634 3.609 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001313942774 1071621423 /nfs/dbraw/zinc/62/14/23/1071621423.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 1 1 498.716 3.532 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001313942774 1071621425 /nfs/dbraw/zinc/62/14/25/1071621425.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 1 1 498.716 3.532 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944276 1071624600 /nfs/dbraw/zinc/62/46/00/1071624600.db2.gz ZHIAUWLCDZHEJG-GGAORHGYSA-N 1 1 454.663 3.505 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC001313946397 1071628422 /nfs/dbraw/zinc/62/84/22/1071628422.db2.gz RKGYRVBLFKSWGF-RCZVLFRGSA-N 1 1 461.658 3.877 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2)[NH+](CC)CC)C[C@H]1C ZINC001313946397 1071628425 /nfs/dbraw/zinc/62/84/25/1071628425.db2.gz RKGYRVBLFKSWGF-RCZVLFRGSA-N 1 1 461.658 3.877 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CC(F)(F)Br)C[C@H]1C ZINC001313946818 1071630455 /nfs/dbraw/zinc/63/04/55/1071630455.db2.gz CNIBCHHOYMNPJC-CYBMUJFWSA-N 1 1 462.314 3.514 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313947171 1071631106 /nfs/dbraw/zinc/63/11/06/1071631106.db2.gz FZQUPBOZMVEJAA-NJDAHSKKSA-N 1 1 478.751 3.555 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313947100 1071631123 /nfs/dbraw/zinc/63/11/23/1071631123.db2.gz VTYJORMJJNJOJH-INIZCTEOSA-N 1 1 473.394 3.744 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947194 1071631158 /nfs/dbraw/zinc/63/11/58/1071631158.db2.gz GJJQTWFSWNRZGM-PMACEKPBSA-N 1 1 484.670 3.761 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313947596 1071632312 /nfs/dbraw/zinc/63/23/12/1071632312.db2.gz IRVSTAHUKPKFGK-INIZCTEOSA-N 1 1 483.444 3.609 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313948588 1071633941 /nfs/dbraw/zinc/63/39/41/1071633941.db2.gz LQDMAZREPGCHPI-NJDAHSKKSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313948589 1071634127 /nfs/dbraw/zinc/63/41/27/1071634127.db2.gz LQDMAZREPGCHPI-PWRODBHTSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313950838 1071640007 /nfs/dbraw/zinc/64/00/07/1071640007.db2.gz XQIAQOXXJQSSJV-SFHVURJKSA-N 1 1 489.546 3.747 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951031 1071640457 /nfs/dbraw/zinc/64/04/57/1071640457.db2.gz CTROGPHNQMOZGT-JOCHJYFZSA-N 1 1 486.730 3.768 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)c2ccccc2)C[C@H]1C ZINC001313951114 1071640705 /nfs/dbraw/zinc/64/07/05/1071640705.db2.gz ZHLBQBNASWIVMI-YRTUYQHASA-N 1 1 498.672 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313951654 1071642992 /nfs/dbraw/zinc/64/29/92/1071642992.db2.gz APPULZLDTPQSAQ-SFTDATJTSA-N 1 1 465.621 3.950 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001313951746 1071643097 /nfs/dbraw/zinc/64/30/97/1071643097.db2.gz VTYQTBYQXAXFKF-SFHVURJKSA-N 1 1 474.078 3.965 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC([C@@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952146 1071644412 /nfs/dbraw/zinc/64/44/12/1071644412.db2.gz NQNOVJOLTPLPMU-ICSRJNTNSA-N 1 1 452.638 3.721 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313952441 1071645796 /nfs/dbraw/zinc/64/57/96/1071645796.db2.gz QEDBXBJZVCWPCD-RJGXRXQPSA-N 1 1 484.689 3.764 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313952678 1071646631 /nfs/dbraw/zinc/64/66/31/1071646631.db2.gz TWHTVYCRHVWQQC-SJBKTWHCSA-N 1 1 476.616 3.769 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313952900 1071647114 /nfs/dbraw/zinc/64/71/14/1071647114.db2.gz UVVNRCJCNSHZDK-LEWJYISDSA-N 1 1 491.080 3.714 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001313953341 1071648441 /nfs/dbraw/zinc/64/84/41/1071648441.db2.gz XQIRKLBRZQQOBO-DEOSSOPVSA-N 1 1 454.663 3.867 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313953682 1071649525 /nfs/dbraw/zinc/64/95/25/1071649525.db2.gz HTWYEAKJRCZNND-UHFFFAOYSA-N 1 1 460.617 3.831 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954252 1071651208 /nfs/dbraw/zinc/65/12/08/1071651208.db2.gz MNBIMWHTIGEXQH-ONTIZHBOSA-N 1 1 490.643 3.921 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313953899 1071650068 /nfs/dbraw/zinc/65/00/68/1071650068.db2.gz KSULKIFSWVJWFS-GOTSBHOMSA-N 1 1 468.690 3.920 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954701 1071652528 /nfs/dbraw/zinc/65/25/28/1071652528.db2.gz CAORXEDJVSZDSA-CUNXSJBXSA-N 1 1 468.690 3.778 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001313956003 1071657363 /nfs/dbraw/zinc/65/73/63/1071657363.db2.gz XAGUZFKSJMOCRK-LEWJYISDSA-N 1 1 475.081 3.735 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313955061 1071654100 /nfs/dbraw/zinc/65/41/00/1071654100.db2.gz RVKLTCUROZDRJD-HXUWFJFHSA-N 1 1 465.568 3.537 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313955029 1071654227 /nfs/dbraw/zinc/65/42/27/1071654227.db2.gz RQITWHGPCPJVTA-OAQYLSRUSA-N 1 1 453.679 3.939 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955170 1071654819 /nfs/dbraw/zinc/65/48/19/1071654819.db2.gz FVZVQVHKUGHKKN-ZEQRLZLVSA-N 1 1 498.716 3.751 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955406 1071655512 /nfs/dbraw/zinc/65/55/12/1071655512.db2.gz GYEDEJGTXFPCHJ-HXUWFJFHSA-N 1 1 473.735 3.924 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCCCC2)CC1 ZINC001313955653 1071656086 /nfs/dbraw/zinc/65/60/86/1071656086.db2.gz YHNHKFUZOHISDK-UHFFFAOYSA-N 1 1 470.662 3.760 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313955650 1071656275 /nfs/dbraw/zinc/65/62/75/1071656275.db2.gz YBUORHQLZXBPAT-RTWAWAEBSA-N 1 1 472.703 3.702 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955928 1071656611 /nfs/dbraw/zinc/65/66/11/1071656611.db2.gz WEKCRGUPQIFGNV-TZIWHRDSSA-N 1 1 494.606 3.711 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N(C)C2CCCCC2)CC1 ZINC001313957143 1071659491 /nfs/dbraw/zinc/65/94/91/1071659491.db2.gz DOIGQFIICLIRDG-UHFFFAOYSA-N 1 1 470.662 3.759 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313957263 1071660010 /nfs/dbraw/zinc/66/00/10/1071660010.db2.gz QCJIZCJSYSMEKL-UGKGYDQZSA-N 1 1 484.718 3.672 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957282 1071660127 /nfs/dbraw/zinc/66/01/27/1071660127.db2.gz QMCGXUGWEGCSST-HSZRJFAPSA-N 1 1 481.733 3.775 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC001313957530 1071660635 /nfs/dbraw/zinc/66/06/35/1071660635.db2.gz VYELVMCVMIQWFZ-VWLOTQADSA-N 1 1 482.717 3.732 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)CC1 ZINC001313957589 1071660649 /nfs/dbraw/zinc/66/06/49/1071660649.db2.gz QPMRSQOGTZYOHK-QFIPXVFZSA-N 1 1 460.711 3.537 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313960656 1071670474 /nfs/dbraw/zinc/67/04/74/1071670474.db2.gz MZLNGBGBADWYIN-LEWJYISDSA-N 1 1 488.652 3.589 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313961294 1071672192 /nfs/dbraw/zinc/67/21/92/1071672192.db2.gz QOWGVLZLJHUEQG-UHFFFAOYSA-N 1 1 491.453 3.525 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313961217 1071672345 /nfs/dbraw/zinc/67/23/45/1071672345.db2.gz RMQGQPDZTWVQQL-HSZRJFAPSA-N 1 1 472.703 3.559 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313961557 1071673314 /nfs/dbraw/zinc/67/33/14/1071673314.db2.gz VEIFNUNQHHEMFE-QFIPXVFZSA-N 1 1 452.647 3.774 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001313969406 1071693719 /nfs/dbraw/zinc/69/37/19/1071693719.db2.gz BQQHPGSBFXZRJZ-HXUWFJFHSA-N 1 1 484.689 3.921 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CCC1 ZINC001313975339 1071705470 /nfs/dbraw/zinc/70/54/70/1071705470.db2.gz PIMVGFXIMPFKGC-QZTJIDSGSA-N 1 1 459.038 3.824 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313976673 1071709091 /nfs/dbraw/zinc/70/90/91/1071709091.db2.gz HPJJVTBTCOFHEO-MDNUFGMLSA-N 1 1 482.673 3.781 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001313988014 1071725288 /nfs/dbraw/zinc/72/52/88/1071725288.db2.gz WKIGXNXQDKJUMA-UHFFFAOYSA-N 1 1 475.641 3.757 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001313994566 1071730090 /nfs/dbraw/zinc/73/00/90/1071730090.db2.gz QBOLQBUKCQSHIW-QFIPXVFZSA-N 1 1 467.662 3.578 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001314014112 1071752530 /nfs/dbraw/zinc/75/25/30/1071752530.db2.gz LDYOUGAGHVLCRJ-UHFFFAOYSA-N 1 1 495.628 3.996 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314012893 1071749102 /nfs/dbraw/zinc/74/91/02/1071749102.db2.gz AODKBIKIWCSQNL-OYRHEFFESA-N 1 1 484.645 3.502 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001314012927 1071749196 /nfs/dbraw/zinc/74/91/96/1071749196.db2.gz CRDFOPKFTATQBX-LJQANCHMSA-N 1 1 457.623 3.595 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001314022004 1071775402 /nfs/dbraw/zinc/77/54/02/1071775402.db2.gz LLESNVOTQFVYLR-UHFFFAOYSA-N 1 1 486.514 3.637 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001314023262 1071778496 /nfs/dbraw/zinc/77/84/96/1071778496.db2.gz JQCNACDVGAWUNC-UHFFFAOYSA-N 1 1 495.628 3.738 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314024667 1071783282 /nfs/dbraw/zinc/78/32/82/1071783282.db2.gz HRRVNOHHLOBDNU-OYRHEFFESA-N 1 1 486.636 3.655 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001314028474 1071795873 /nfs/dbraw/zinc/79/58/73/1071795873.db2.gz RBFMTFDFNVXULG-YADHBBJMSA-N 1 1 484.645 3.789 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314034289 1071817341 /nfs/dbraw/zinc/81/73/41/1071817341.db2.gz GZNUWUCHMVLJET-JRFVFWCSSA-N 1 1 498.672 3.503 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](CC)C2CC2)C1 ZINC001314035902 1071824654 /nfs/dbraw/zinc/82/46/54/1071824654.db2.gz YJUHHYUHQOFANM-IBGZPJMESA-N 1 1 461.010 3.798 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001314044147 1071855281 /nfs/dbraw/zinc/85/52/81/1071855281.db2.gz RAWZQGIZTIHEBO-NZQKXSOJSA-N 1 1 498.672 3.921 20 0 JHADMO CCOC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001314042930 1071850771 /nfs/dbraw/zinc/85/07/71/1071850771.db2.gz XXLOJXQYFBMXGR-UHFFFAOYSA-N 1 1 486.661 3.509 20 0 JHADMO CCOC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001314042930 1071850775 /nfs/dbraw/zinc/85/07/75/1071850775.db2.gz XXLOJXQYFBMXGR-UHFFFAOYSA-N 1 1 486.661 3.509 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001314052082 1071874684 /nfs/dbraw/zinc/87/46/84/1071874684.db2.gz IUQZGLSCEQKVSE-OAQYLSRUSA-N 1 1 471.646 3.626 20 0 JHADMO CCOC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001314054874 1071879748 /nfs/dbraw/zinc/87/97/48/1071879748.db2.gz NHYMNEAEJXDREI-JOCHJYFZSA-N 1 1 469.674 3.958 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314080815 1071942537 /nfs/dbraw/zinc/94/25/37/1071942537.db2.gz GHJQVUWVJXSGLG-NVQXNPDNSA-N 1 1 455.647 3.995 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001314086743 1071957701 /nfs/dbraw/zinc/95/77/01/1071957701.db2.gz OKIVYIBXGSEMBH-JLTOFOAXSA-N 1 1 488.580 3.525 20 0 JHADMO CCO[C@]1(c2nnc(N(C)C/C(C)=C\c3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CCOC1 ZINC001314085910 1071955709 /nfs/dbraw/zinc/95/57/09/1071955709.db2.gz QYTFFMIAXVRRSJ-DQXBBEGISA-N 1 1 453.631 3.954 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CCC(F)F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314091975 1071969224 /nfs/dbraw/zinc/96/92/24/1071969224.db2.gz WBKHRSFYIAQGBM-IEGUWTFLSA-N 1 1 457.610 3.778 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)CCC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CCOC1 ZINC001314093514 1071971473 /nfs/dbraw/zinc/97/14/73/1071971473.db2.gz ZWSMDDIQDRMDQW-RLWLMLJZSA-N 1 1 455.647 3.859 20 0 JHADMO CCO[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314098527 1071979406 /nfs/dbraw/zinc/97/94/06/1071979406.db2.gz KRLWYYVXUDVIGO-HHHXNRCGSA-N 1 1 485.673 3.824 20 0 JHADMO CCO[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099913 1071983405 /nfs/dbraw/zinc/98/34/05/1071983405.db2.gz WARGUYDXNZXLMK-BCQCSXDESA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CC(CC)(CC)SC)CCOC1 ZINC001314106267 1071997363 /nfs/dbraw/zinc/99/73/63/1071997363.db2.gz PBJQSEORTGLYPZ-DNVFCKCGSA-N 1 1 451.681 3.525 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108085 1072000437 /nfs/dbraw/zinc/00/04/37/1072000437.db2.gz UERBANDRPYXQNL-WXVAWEFUSA-N 1 1 485.673 3.846 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(F)c(F)c2)CCOC1 ZINC001314112508 1072007492 /nfs/dbraw/zinc/00/74/92/1072007492.db2.gz NWNJOQDIXSKARU-RUZDIDTESA-N 1 1 477.600 3.813 20 0 JHADMO CCc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305926168 1068222190 /nfs/dbraw/zinc/22/21/90/1068222190.db2.gz XGKVJLWZJIMXRR-DHLKQENFSA-N 1 1 468.690 3.786 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927174 1068224756 /nfs/dbraw/zinc/22/47/56/1068224756.db2.gz BUEBZCIVUXCAMS-IPJJNNNSSA-N 1 1 494.606 3.690 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001305929246 1068228495 /nfs/dbraw/zinc/22/84/95/1068228495.db2.gz OEAHDERVASKZJW-SZPZYZBQSA-N 1 1 454.663 3.539 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(C)(COC)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001305933648 1068234402 /nfs/dbraw/zinc/23/44/02/1068234402.db2.gz OXVOSGNIVFKEPA-QHCPKHFHSA-N 1 1 455.647 3.607 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001305936328 1068239003 /nfs/dbraw/zinc/23/90/03/1068239003.db2.gz KTSRYYSJWHKYEP-IRLDBZIGSA-N 1 1 498.672 3.579 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001305939459 1068246708 /nfs/dbraw/zinc/24/67/08/1068246708.db2.gz AATQVJYHLAZULE-QHCPKHFHSA-N 1 1 473.687 3.785 20 0 JHADMO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001305946481 1068261741 /nfs/dbraw/zinc/26/17/41/1068261741.db2.gz VMYJLFHBDIDVCL-UHFFFAOYSA-N 1 1 480.579 3.840 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001305947589 1068265684 /nfs/dbraw/zinc/26/56/84/1068265684.db2.gz ICAIJLSDCBJOEE-LJQANCHMSA-N 1 1 464.580 3.924 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001305947714 1068265758 /nfs/dbraw/zinc/26/57/58/1068265758.db2.gz JLHUPEREYVGFST-FQEVSTJZSA-N 1 1 494.606 3.693 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001305948101 1068267672 /nfs/dbraw/zinc/26/76/72/1068267672.db2.gz QHONORCRDGYEME-OAQYLSRUSA-N 1 1 452.647 3.544 20 0 JHADMO 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CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nccn1C(F)F ZINC001305985600 1068336261 /nfs/dbraw/zinc/33/62/61/1068336261.db2.gz WNCQCEOTLPLCJF-ZWKOTPCHSA-N 1 1 473.572 3.978 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001305986344 1068336992 /nfs/dbraw/zinc/33/69/92/1068336992.db2.gz SVPWWWZBRVRSNG-QFIPXVFZSA-N 1 1 482.673 3.599 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001305987088 1068339822 /nfs/dbraw/zinc/33/98/22/1068339822.db2.gz IJZMSDLBMNGPHE-UHFFFAOYSA-N 1 1 495.628 3.682 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305988439 1068345573 /nfs/dbraw/zinc/34/55/73/1068345573.db2.gz AHXBNQLWZWPARO-WOJBJXKFSA-N 1 1 473.687 3.861 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCOC[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305990659 1068350721 /nfs/dbraw/zinc/35/07/21/1068350721.db2.gz ZNFHBZOYWIAMEB-PCCBWWKXSA-N 1 1 471.646 3.532 20 0 JHADMO 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AMEVOHYXIMBRJB-DNVCBOLYSA-N 1 1 453.370 3.749 20 0 JHADMO COc1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755939 720890451 /nfs/dbraw/zinc/89/04/51/720890451.db2.gz NOGNJKXQZQJLCS-AJTFRIOCSA-N 1 1 459.594 3.789 20 0 JHADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752499 720890582 /nfs/dbraw/zinc/89/05/82/720890582.db2.gz DUCXCLUKWPLVQW-IRLDBZIGSA-N 1 1 463.960 3.825 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc(OC)cc4)nnc3Cl)CC[C@@H]2C1 ZINC001164855885 720892528 /nfs/dbraw/zinc/89/25/28/720892528.db2.gz CZVKTJOWKGRDLR-UTKZUKDTSA-N 1 1 482.959 3.524 20 0 JHADMO COc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758078 720895677 /nfs/dbraw/zinc/89/56/77/720895677.db2.gz WLKDXBKZHDZROB-CUBQBAPOSA-N 1 1 486.620 3.697 20 0 JHADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751313 720914858 /nfs/dbraw/zinc/91/48/58/720914858.db2.gz LHYHRPJVVRNYIX-NFBKMPQASA-N 1 1 493.986 3.747 20 0 JHADMO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749044 720935995 /nfs/dbraw/zinc/93/59/95/720935995.db2.gz HMJYEGWSSNYWAG-CVDCTZTESA-N 1 1 493.986 3.834 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)[C@H]2C ZINC001164859247 720951694 /nfs/dbraw/zinc/95/16/94/720951694.db2.gz LQKVKZZTJSYUOZ-AWEZNQCLSA-N 1 1 482.963 3.860 20 0 JHADMO CC(C)CN1[C@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758932 720972019 /nfs/dbraw/zinc/97/20/19/720972019.db2.gz XFEPVWTULGRBOE-GOTSBHOMSA-N 1 1 484.666 3.753 20 0 JHADMO c1cncc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]3COC[C@@H]23)c1 ZINC001164759340 721008351 /nfs/dbraw/zinc/00/83/51/721008351.db2.gz LJIABAWKPVPGBW-YPAWHYETSA-N 1 1 491.661 3.981 20 0 JHADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164758323 721013183 /nfs/dbraw/zinc/01/31/83/721013183.db2.gz IDZWSQSLWWSSRB-KGPYPHOUSA-N 1 1 497.643 3.677 20 0 JHADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861062 721032893 /nfs/dbraw/zinc/03/28/93/721032893.db2.gz AAEMBAPMXUIHLJ-UHFFFAOYSA-N 1 1 455.900 3.846 20 0 JHADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164867362 721083492 /nfs/dbraw/zinc/08/34/92/721083492.db2.gz YERKSYKSUPIQOV-SJORKVTESA-N 1 1 463.891 3.842 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766423 721094342 /nfs/dbraw/zinc/09/43/42/721094342.db2.gz KFRDYNAKVUJXQF-GJZGRUSLSA-N 1 1 450.896 3.659 20 0 JHADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164880407 721145394 /nfs/dbraw/zinc/14/53/94/721145394.db2.gz WFXVWDUHZYJPDL-JWQCQUIFSA-N 1 1 468.605 3.971 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164880706 721157700 /nfs/dbraw/zinc/15/77/00/721157700.db2.gz XFEDEBCKLRRHHK-AEFFLSMTSA-N 1 1 475.927 3.711 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164872578 721177075 /nfs/dbraw/zinc/17/70/75/721177075.db2.gz HVIDZXUHXQFHDL-ILBGXUMGSA-N 1 1 459.594 3.568 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)cn1 ZINC001164764178 721179462 /nfs/dbraw/zinc/17/94/62/721179462.db2.gz GLBABAOPZKVVAF-JWQCQUIFSA-N 1 1 459.594 3.876 20 0 JHADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164868388 721198186 /nfs/dbraw/zinc/19/81/86/721198186.db2.gz MOLPQAOUJCPJEI-ZWKOTPCHSA-N 1 1 463.413 3.648 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3C2)cn1 ZINC001164774486 721218025 /nfs/dbraw/zinc/21/80/25/721218025.db2.gz ZTVBURXFZSVZCW-DNVFCKCGSA-N 1 1 456.953 3.616 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC2)C1 ZINC001164872748 721277390 /nfs/dbraw/zinc/27/73/90/721277390.db2.gz FNVALQQWECACSN-UHFFFAOYSA-N 1 1 494.039 3.957 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)n1 ZINC001164877385 721309229 /nfs/dbraw/zinc/30/92/29/721309229.db2.gz IOVZMOMVRWQFBU-PMACEKPBSA-N 1 1 499.706 3.907 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164777387 721335364 /nfs/dbraw/zinc/33/53/64/721335364.db2.gz MUJAPUUNTGUFCI-HHHXNRCGSA-N 1 1 481.641 3.868 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164777387 721335368 /nfs/dbraw/zinc/33/53/68/721335368.db2.gz MUJAPUUNTGUFCI-HHHXNRCGSA-N 1 1 481.641 3.868 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164778677 721341530 /nfs/dbraw/zinc/34/15/30/721341530.db2.gz NRCAMICKACTYNX-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164778677 721341535 /nfs/dbraw/zinc/34/15/35/721341535.db2.gz NRCAMICKACTYNX-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)n1 ZINC001164882284 721344188 /nfs/dbraw/zinc/34/41/88/721344188.db2.gz CRUOLQWKGRISOI-DFBJGRDBSA-N 1 1 471.671 3.662 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778705 721346019 /nfs/dbraw/zinc/34/60/19/721346019.db2.gz NWGSOMJQVJKYKN-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778705 721346023 /nfs/dbraw/zinc/34/60/23/721346023.db2.gz NWGSOMJQVJKYKN-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778648 721348582 /nfs/dbraw/zinc/34/85/82/721348582.db2.gz NNQNIFZSOWOKCU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778648 721348584 /nfs/dbraw/zinc/34/85/84/721348584.db2.gz NNQNIFZSOWOKCU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c2c1C ZINC001164888464 721351185 /nfs/dbraw/zinc/35/11/85/721351185.db2.gz XBIDWCVNBSFMDZ-FGZHOGPDSA-N 1 1 491.661 3.881 20 0 JHADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164778687 721352522 /nfs/dbraw/zinc/35/25/22/721352522.db2.gz NTGCQDWZQBXYRV-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164778687 721352525 /nfs/dbraw/zinc/35/25/25/721352525.db2.gz NTGCQDWZQBXYRV-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778547 721354043 /nfs/dbraw/zinc/35/40/43/721354043.db2.gz NAOQUWUFZLRVMU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778547 721354050 /nfs/dbraw/zinc/35/40/50/721354050.db2.gz NAOQUWUFZLRVMU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO CCOC(=O)c1c(C)cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164782234 721354526 /nfs/dbraw/zinc/35/45/26/721354526.db2.gz LKMMPVHOEXROEB-RUZDIDTESA-N 1 1 456.587 3.599 20 0 JHADMO CCOC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164782230 721362142 /nfs/dbraw/zinc/36/21/42/721362142.db2.gz LKLDDNIUYWWFDD-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164782230 721362145 /nfs/dbraw/zinc/36/21/45/721362145.db2.gz LKLDDNIUYWWFDD-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780302 721363288 /nfs/dbraw/zinc/36/32/88/721363288.db2.gz FVOJWRNQRUMCSU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780302 721363291 /nfs/dbraw/zinc/36/32/91/721363291.db2.gz FVOJWRNQRUMCSU-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc21 ZINC001164780701 721370601 /nfs/dbraw/zinc/37/06/01/721370601.db2.gz GOMWBHRUZGRYBU-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO Cn1cc(N2C[C@@]3(CCN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C3)CC2=O)cn1 ZINC001164886612 721373385 /nfs/dbraw/zinc/37/33/85/721373385.db2.gz MOWQVFJWNCPGKG-SANMLTNESA-N 1 1 487.633 3.787 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164781473 721374561 /nfs/dbraw/zinc/37/45/61/721374561.db2.gz JVHVPUYRRXEWQB-QHCPKHFHSA-N 1 1 462.978 3.554 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164781473 721374564 /nfs/dbraw/zinc/37/45/64/721374564.db2.gz JVHVPUYRRXEWQB-QHCPKHFHSA-N 1 1 462.978 3.554 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894129 721391363 /nfs/dbraw/zinc/39/13/63/721391363.db2.gz XUVAUOGZOIPQOP-XMSQKQJNSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892399 721402468 /nfs/dbraw/zinc/40/24/68/721402468.db2.gz YACRICZWUGRBSD-HTAPYJJXSA-N 1 1 450.414 3.702 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894238 721430260 /nfs/dbraw/zinc/43/02/60/721430260.db2.gz KZZSBXARPLUCPB-OXQOHEQNSA-N 1 1 461.022 3.767 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891327 721434264 /nfs/dbraw/zinc/43/42/64/721434264.db2.gz GIMBDAKFWWYCPL-AWVRMFGXSA-N 1 1 478.685 3.774 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891333 721434335 /nfs/dbraw/zinc/43/43/35/721434335.db2.gz GIMBDAKFWWYCPL-IWHLBADBSA-N 1 1 478.685 3.774 20 0 JHADMO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164781922 721441425 /nfs/dbraw/zinc/44/14/25/721441425.db2.gz HKCAGMOLBKRLIB-OAQYLSRUSA-N 1 1 452.990 3.780 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893814 721446739 /nfs/dbraw/zinc/44/67/39/721446739.db2.gz KRJOZUBSBIUWFF-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887986 721447684 /nfs/dbraw/zinc/44/76/84/721447684.db2.gz LLJWRBGVSIIJTE-BEFAXECRSA-N 1 1 465.372 3.579 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892038 721451866 /nfs/dbraw/zinc/45/18/66/721451866.db2.gz VXSHAGGGTUIREG-PZJWPPBQSA-N 1 1 454.993 3.620 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164790175 721455746 /nfs/dbraw/zinc/45/57/46/721455746.db2.gz XCUHRNBELHXEBS-HXUWFJFHSA-N 1 1 475.634 3.558 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164785574 721461997 /nfs/dbraw/zinc/46/19/97/721461997.db2.gz MCAMYNDZWUPELL-SFHVURJKSA-N 1 1 458.981 3.596 20 0 JHADMO CCCN(CCC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ncn1 ZINC001164782786 721463447 /nfs/dbraw/zinc/46/34/47/721463447.db2.gz BUYHRIUCMYUJNA-QHCPKHFHSA-N 1 1 459.679 3.837 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164783530 721463466 /nfs/dbraw/zinc/46/34/66/721463466.db2.gz DIKPURHKPMXHPN-HSZRJFAPSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164788216 721469888 /nfs/dbraw/zinc/46/98/88/721469888.db2.gz IPYHMHKFAFIXAC-DEOSSOPVSA-N 1 1 493.652 3.771 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164791230 721471649 /nfs/dbraw/zinc/47/16/49/721471649.db2.gz VMFQGZBZHMJEDD-QHCPKHFHSA-N 1 1 458.647 3.780 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898835 721495531 /nfs/dbraw/zinc/49/55/31/721495531.db2.gz IIKVKILHDNDDFH-WBADGQHESA-N 1 1 478.670 3.851 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900010 721515169 /nfs/dbraw/zinc/51/51/69/721515169.db2.gz NAPGALVHAQPGNN-SJLPKXTDSA-N 1 1 456.905 3.551 20 0 JHADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909317 721528821 /nfs/dbraw/zinc/52/88/21/721528821.db2.gz RITXNXBZVPSTNQ-AEFFLSMTSA-N 1 1 496.917 3.723 20 0 JHADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905209 721534003 /nfs/dbraw/zinc/53/40/03/721534003.db2.gz GQGWJOKSKOERPN-IEBWSBKVSA-N 1 1 464.969 3.553 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807799 721547960 /nfs/dbraw/zinc/54/79/60/721547960.db2.gz RISNBCTZUPGEGT-RZUBCFFCSA-N 1 1 479.606 3.645 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807799 721547965 /nfs/dbraw/zinc/54/79/65/721547965.db2.gz RISNBCTZUPGEGT-RZUBCFFCSA-N 1 1 479.606 3.645 20 0 JHADMO CCOc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OCC ZINC001164809394 721555015 /nfs/dbraw/zinc/55/50/15/721555015.db2.gz WWEMMAWDRVGHSG-OTNCWRBYSA-N 1 1 463.582 3.690 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909288 721558931 /nfs/dbraw/zinc/55/89/31/721558931.db2.gz UDLZNICQSVRDSB-WIYYLYMNSA-N 1 1 450.514 3.642 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164800442 721559542 /nfs/dbraw/zinc/55/95/42/721559542.db2.gz FNDHLOVNGCQRKH-GVAUOCQISA-N 1 1 472.568 3.882 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164809432 721559798 /nfs/dbraw/zinc/55/97/98/721559798.db2.gz XHSVAOBRRYXCJU-GVAUOCQISA-N 1 1 454.578 3.743 20 0 JHADMO COC(=O)c1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c2ccccc2c1OC ZINC001164904084 721560111 /nfs/dbraw/zinc/56/01/11/721560111.db2.gz CZKJYTWQZRNIHC-HKUYNNGSSA-N 1 1 451.498 3.511 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164810573 721560237 /nfs/dbraw/zinc/56/02/37/721560237.db2.gz YYSGOBOWOVFOQK-ISJGIBHGSA-N 1 1 472.568 3.882 20 0 JHADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910362 721563396 /nfs/dbraw/zinc/56/33/96/721563396.db2.gz WJSFYRQSSOULDC-XUZZJYLKSA-N 1 1 463.557 3.603 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164800368 721576974 /nfs/dbraw/zinc/57/69/74/721576974.db2.gz FFSGJSRANKNVBH-NXCFDTQHSA-N 1 1 469.589 3.548 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164800368 721576979 /nfs/dbraw/zinc/57/69/79/721576979.db2.gz FFSGJSRANKNVBH-NXCFDTQHSA-N 1 1 469.589 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806839 721583789 /nfs/dbraw/zinc/58/37/89/721583789.db2.gz NCNAXXYWTBIRRG-QHWMMSMNSA-N 1 1 473.577 3.568 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806839 721583790 /nfs/dbraw/zinc/58/37/90/721583790.db2.gz NCNAXXYWTBIRRG-QHWMMSMNSA-N 1 1 473.577 3.568 20 0 JHADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801092 721587916 /nfs/dbraw/zinc/58/79/16/721587916.db2.gz DRTUGKLXLXPDLX-JTAQYXEDSA-N 1 1 450.974 3.764 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164811341 721588864 /nfs/dbraw/zinc/58/88/64/721588864.db2.gz XKUOXUGYRFYFSX-RQTOMXEWSA-N 1 1 465.985 3.972 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164811341 721588865 /nfs/dbraw/zinc/58/88/65/721588865.db2.gz XKUOXUGYRFYFSX-RQTOMXEWSA-N 1 1 465.985 3.972 20 0 JHADMO COc1cccc(CN2C[C@@H]3CC[N@H+](C(C)(C)c4ccnc(Cl)c4)CC[C@@H]3S2(=O)=O)c1 ZINC001164802584 721592927 /nfs/dbraw/zinc/59/29/27/721592927.db2.gz GVZJWAALXPWQEP-RXVVDRJESA-N 1 1 464.031 3.905 20 0 JHADMO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3C2=O)n1 ZINC001164798765 721602459 /nfs/dbraw/zinc/60/24/59/721602459.db2.gz IEWLUPPXQPUNJA-IXCJQBJRSA-N 1 1 497.643 3.597 20 0 JHADMO COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907735 721720298 /nfs/dbraw/zinc/72/02/98/721720298.db2.gz SZLBDEBJALZOFT-GOSISDBHSA-N 1 1 459.875 3.816 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909744 721725765 /nfs/dbraw/zinc/72/57/65/721725765.db2.gz DIJAFINYEQUKMF-WMZHIEFXSA-N 1 1 493.624 3.681 20 0 JHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911845 721738046 /nfs/dbraw/zinc/73/80/46/721738046.db2.gz LBDGYUFTMBWTSG-DEOSSOPVSA-N 1 1 488.535 3.568 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909792 721742321 /nfs/dbraw/zinc/74/23/21/721742321.db2.gz DQKANUPTVDBVBQ-UHSQPCAPSA-N 1 1 483.616 3.977 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164909618 721760531 /nfs/dbraw/zinc/76/05/31/721760531.db2.gz CWYXVOYBDIYSHV-UHFFFAOYSA-N 1 1 495.631 3.986 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164909618 721760533 /nfs/dbraw/zinc/76/05/33/721760533.db2.gz CWYXVOYBDIYSHV-UHFFFAOYSA-N 1 1 495.631 3.986 20 0 JHADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CN1c1cccnc1 ZINC001165018308 721791987 /nfs/dbraw/zinc/79/19/87/721791987.db2.gz HPKVBNMGYZYSFM-XLIONFOSSA-N 1 1 474.634 3.660 20 0 JHADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026272 721801324 /nfs/dbraw/zinc/80/13/24/721801324.db2.gz QGNZCBGZGRTGEC-IPELMVKDSA-N 1 1 479.959 3.984 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@H]21 ZINC001165026808 721815961 /nfs/dbraw/zinc/81/59/61/721815961.db2.gz RKIWPNOYJHJBNR-BHIYHBOVSA-N 1 1 477.440 3.752 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024676 721818365 /nfs/dbraw/zinc/81/83/65/721818365.db2.gz KIPVFCUXZCYVCN-ILZDJORESA-N 1 1 451.596 4.000 20 0 JHADMO 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 721819618 /nfs/dbraw/zinc/81/96/18/721819618.db2.gz VIUXUMXRIDQEEG-GREBRCKQSA-N 1 1 479.625 3.985 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@@H]21 ZINC001165025689 721824308 /nfs/dbraw/zinc/82/43/08/721824308.db2.gz NJSZNWLCLZYJGX-MSLLRLGPSA-N 1 1 483.664 3.935 20 0 JHADMO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165019107 721830996 /nfs/dbraw/zinc/83/09/96/721830996.db2.gz AXMFDAPGKFGJQX-IMJJTQAJSA-N 1 1 450.370 3.702 20 0 JHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C(=O)OCC ZINC001165024020 721831802 /nfs/dbraw/zinc/83/18/02/721831802.db2.gz JIBZAVATTRPNLW-CDNPAEQRSA-N 1 1 466.582 3.567 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@H]21 ZINC001165025136 721832475 /nfs/dbraw/zinc/83/24/75/721832475.db2.gz LXCKQNIGXSHPEL-BHIYHBOVSA-N 1 1 477.440 3.752 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924204 721846555 /nfs/dbraw/zinc/84/65/55/721846555.db2.gz XFEGUPJAZZWGLP-WIOPSUGQSA-N 1 1 454.594 3.681 20 0 JHADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1OCC ZINC001164939351 721925751 /nfs/dbraw/zinc/92/57/51/721925751.db2.gz JQMQAUBDGAAKHE-UHFFFAOYSA-N 1 1 453.583 3.837 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)CC3)C2)cc1 ZINC001164938946 721925862 /nfs/dbraw/zinc/92/58/62/721925862.db2.gz CONPGVXEVDYRPU-UHFFFAOYSA-N 1 1 471.605 3.542 20 0 JHADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164941025 721926408 /nfs/dbraw/zinc/92/64/08/721926408.db2.gz YZHCCTZAMNSNSH-UHFFFAOYSA-N 1 1 458.990 3.548 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164945596 721981032 /nfs/dbraw/zinc/98/10/32/721981032.db2.gz AYWKFENIEVHJAE-UHFFFAOYSA-N 1 1 470.602 3.724 20 0 JHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164945596 721981034 /nfs/dbraw/zinc/98/10/34/721981034.db2.gz AYWKFENIEVHJAE-UHFFFAOYSA-N 1 1 470.602 3.724 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955805 722010047 /nfs/dbraw/zinc/01/00/47/722010047.db2.gz ZNKZZQBMKUKMME-CLOONOSVSA-N 1 1 486.686 3.693 20 0 JHADMO Cc1ccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960564 722025373 /nfs/dbraw/zinc/02/53/73/722025373.db2.gz KOBDRCGBPTZFNZ-UFHPHHKVSA-N 1 1 470.621 3.788 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3O2)n1 ZINC001164957243 722042825 /nfs/dbraw/zinc/04/28/25/722042825.db2.gz ALENEDIGJZIJEH-WSTZPKSXSA-N 1 1 476.606 3.948 20 0 JHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958122 722052523 /nfs/dbraw/zinc/05/25/23/722052523.db2.gz CSGFNEKACKQIRL-UHFFFAOYSA-N 1 1 458.990 3.734 20 0 JHADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962909 722055667 /nfs/dbraw/zinc/05/56/67/722055667.db2.gz FSEGUDUGKUBXSB-HXUWFJFHSA-N 1 1 498.031 3.693 20 0 JHADMO Clc1nc2c(Cl)nccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963266 722059222 /nfs/dbraw/zinc/05/92/22/722059222.db2.gz UXSPJJAFQPPZBH-UHFFFAOYSA-N 1 1 459.381 3.846 20 0 JHADMO O=C1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969120 722082084 /nfs/dbraw/zinc/08/20/84/722082084.db2.gz IBJZAVWRWQLOLE-YADHBBJMSA-N 1 1 472.992 3.724 20 0 JHADMO CCOc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OCC ZINC001164971395 722118219 /nfs/dbraw/zinc/11/82/19/722118219.db2.gz BXEQICGCQAWMRO-CPJSRVTESA-N 1 1 463.582 3.550 20 0 JHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983073 722128377 /nfs/dbraw/zinc/12/83/77/722128377.db2.gz XYPDXPWYAKDTHV-FXAWDEMLSA-N 1 1 459.928 3.950 20 0 JHADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972762 722135798 /nfs/dbraw/zinc/13/57/98/722135798.db2.gz AKTUEHUDXFEOBE-HZPDHXFCSA-N 1 1 458.340 3.537 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164983836 722137039 /nfs/dbraw/zinc/13/70/39/722137039.db2.gz VNWZQXIDDQGTCV-AOYPEHQESA-N 1 1 472.589 3.966 20 0 JHADMO c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975220 722138001 /nfs/dbraw/zinc/13/80/01/722138001.db2.gz FTKBJTUUZCKLCB-RDGATRHJSA-N 1 1 458.610 3.742 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978888 722138431 /nfs/dbraw/zinc/13/84/31/722138431.db2.gz KJRYGQZOSDDLKV-VQTJNVASSA-N 1 1 486.954 3.859 20 0 JHADMO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)nc1 ZINC001164984181 722140946 /nfs/dbraw/zinc/14/09/46/722140946.db2.gz WEHAUYUOZLJNAY-PXDATVDWSA-N 1 1 452.562 3.814 20 0 JHADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975166 722144739 /nfs/dbraw/zinc/14/47/39/722144739.db2.gz FAAJJLSSJVNVLL-FXAWDEMLSA-N 1 1 459.928 3.950 20 0 JHADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996651 722208617 /nfs/dbraw/zinc/20/86/17/722208617.db2.gz UTUJVYXTCXAMJP-LVXARBLLSA-N 1 1 467.589 3.640 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C(=O)OCC ZINC001164996158 722213418 /nfs/dbraw/zinc/21/34/18/722213418.db2.gz MIYDMKNETGKQDY-VWLOTQADSA-N 1 1 455.530 3.819 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H](OCCOC)[C@@H]2Cc2cnn(C)c2)n1 ZINC001164999681 722224790 /nfs/dbraw/zinc/22/47/90/722224790.db2.gz OADAMBFQFGMMGA-SFTDATJTSA-N 1 1 486.686 3.736 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC)CC[N@H+]1CCOC ZINC001306621508 1069310080 /nfs/dbraw/zinc/31/00/80/1069310080.db2.gz XYKBLVGTRJLIEH-QUCCMNQESA-N 1 1 461.676 3.715 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CC[N@H+]1CCOC ZINC001306622929 1069313415 /nfs/dbraw/zinc/31/34/15/1069313415.db2.gz GAFVPKPZUUGUNR-QGZVFWFLSA-N 1 1 476.050 3.630 20 0 JHADMO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ccc1S(=O)(=O)N(C)C ZINC001311278723 1069314516 /nfs/dbraw/zinc/31/45/16/1069314516.db2.gz GYLHVBRKVPEGJS-UHFFFAOYSA-N 1 1 458.628 3.718 20 0 JHADMO Cn1cc(Br)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281845 1069315018 /nfs/dbraw/zinc/31/50/18/1069315018.db2.gz IEXVIPBPFIHCNY-XLIONFOSSA-N 1 1 459.388 3.666 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001306624193 1069317072 /nfs/dbraw/zinc/31/70/72/1069317072.db2.gz MLJVJBJGMUGAJO-WXVAWEFUSA-N 1 1 496.656 3.703 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001306624586 1069318150 /nfs/dbraw/zinc/31/81/50/1069318150.db2.gz PBYUJGDXHNGXED-NRFANRHFSA-N 1 1 495.672 3.972 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC[N@H+]1CCOC ZINC001306628549 1069327289 /nfs/dbraw/zinc/32/72/89/1069327289.db2.gz GNGQKNQUFGTSKD-OAQYLSRUSA-N 1 1 471.646 3.969 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC001306630074 1069328678 /nfs/dbraw/zinc/32/86/78/1069328678.db2.gz TVTLKBJZUNIARE-JOCHJYFZSA-N 1 1 472.634 3.758 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC[N@H+]1CCOC ZINC001306632460 1069334530 /nfs/dbraw/zinc/33/45/30/1069334530.db2.gz YMJJNORVJQEVDR-PMACEKPBSA-N 1 1 455.594 3.545 20 0 JHADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001311360655 1069344763 /nfs/dbraw/zinc/34/47/63/1069344763.db2.gz USBDVJONHPIYDS-XQBPLPMBSA-N 1 1 455.624 3.535 20 0 JHADMO CCCCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306636845 1069345753 /nfs/dbraw/zinc/34/57/53/1069345753.db2.gz BXKYMYAZOOCLLO-JTHBVZDNSA-N 1 1 496.704 3.768 20 0 JHADMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)CC[C@@H]21 ZINC001311364021 1069346754 /nfs/dbraw/zinc/34/67/54/1069346754.db2.gz XEGSDZZHZTVBSI-URXFXBBRSA-N 1 1 450.583 3.720 20 0 JHADMO CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311366318 1069346854 /nfs/dbraw/zinc/34/68/54/1069346854.db2.gz BDVCMBVRTZJAAM-DQEYMECFSA-N 1 1 454.590 3.505 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCc2ccccn2)CC[N@H+]1CCOC ZINC001306638608 1069348297 /nfs/dbraw/zinc/34/82/97/1069348297.db2.gz AZFUDFDVYXLMPK-OAQYLSRUSA-N 1 1 452.578 3.659 20 0 JHADMO CCOCCN(C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCc2ccccc21 ZINC001311378104 1069351407 /nfs/dbraw/zinc/35/14/07/1069351407.db2.gz HBYGXCRVOPQHCR-VWLOTQADSA-N 1 1 454.590 3.683 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311375770 1069350425 /nfs/dbraw/zinc/35/04/25/1069350425.db2.gz ATBOVORLODZPDF-DCEDVJGZSA-N 1 1 454.590 3.634 20 0 JHADMO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001311378243 1069351438 /nfs/dbraw/zinc/35/14/38/1069351438.db2.gz ZBKLZOMFRYIFTR-ZEQRLZLVSA-N 1 1 457.663 3.904 20 0 JHADMO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001306642030 1069352782 /nfs/dbraw/zinc/35/27/82/1069352782.db2.gz SDKLBDQVTBFYND-UHFFFAOYSA-N 1 1 467.618 3.598 20 0 JHADMO CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CO1 ZINC001311379517 1069352893 /nfs/dbraw/zinc/35/28/93/1069352893.db2.gz XNVFAHDPGFNRCF-DEOSSOPVSA-N 1 1 454.590 3.727 20 0 JHADMO CC[C@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2ccccc2C1 ZINC001311396886 1069360839 /nfs/dbraw/zinc/36/08/39/1069360839.db2.gz PWKITXBJAITDBK-JOCHJYFZSA-N 1 1 456.631 3.866 20 0 JHADMO 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CCCC[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001306681843 1069412041 /nfs/dbraw/zinc/41/20/41/1069412041.db2.gz VPEDMJFLJKCVQY-UHFFFAOYSA-N 1 1 457.619 3.701 20 0 JHADMO CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499126 1069408550 /nfs/dbraw/zinc/40/85/50/1069408550.db2.gz XEMPHPJSEOJBFD-GLDPYIMESA-N 1 1 450.583 3.593 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001306682649 1069413795 /nfs/dbraw/zinc/41/37/95/1069413795.db2.gz KPUFZZYZQXPQCB-QZTJIDSGSA-N 1 1 451.930 3.584 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001306682784 1069414536 /nfs/dbraw/zinc/41/45/36/1069414536.db2.gz NPCPDPOXFDXKKH-RUZDIDTESA-N 1 1 491.702 3.722 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306682974 1069415169 /nfs/dbraw/zinc/41/51/69/1069415169.db2.gz RUQXCZPZCXWXMG-HNNXBMFYSA-N 1 1 497.869 3.760 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001306683944 1069418775 /nfs/dbraw/zinc/41/87/75/1069418775.db2.gz GOGRVAVSNHNXJR-UHFFFAOYSA-N 1 1 484.693 3.616 20 0 JHADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518037 1069419264 /nfs/dbraw/zinc/41/92/64/1069419264.db2.gz GFYRGFSXEWTPQZ-MSOLQXFVSA-N 1 1 454.537 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001306684235 1069419422 /nfs/dbraw/zinc/41/94/22/1069419422.db2.gz IWXQGUDJFYRDJI-FQEVSTJZSA-N 1 1 455.632 3.723 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001306684381 1069419515 /nfs/dbraw/zinc/41/95/15/1069419515.db2.gz LUQVUJQHDRPRLO-UHFFFAOYSA-N 1 1 458.408 3.693 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001306684827 1069420092 /nfs/dbraw/zinc/42/00/92/1069420092.db2.gz URHVBSXNMGPYQR-NRFANRHFSA-N 1 1 455.994 3.698 20 0 JHADMO 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CN1CC[NH+](C(C)(C)CNC(=O)NCc2c(Cl)cc(Br)cc2Cl)CC1 ZINC001311536117 1069428455 /nfs/dbraw/zinc/42/84/55/1069428455.db2.gz LAPMXYOMHTUZET-UHFFFAOYSA-N 1 1 452.224 3.581 20 0 JHADMO CCCCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001306694890 1069431999 /nfs/dbraw/zinc/43/19/99/1069431999.db2.gz FCDVVUXLGRIVEI-OAQYLSRUSA-N 1 1 456.418 3.857 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1 ZINC001311556376 1069437535 /nfs/dbraw/zinc/43/75/35/1069437535.db2.gz PRZZAZUGMLGCRZ-KCWPFWIISA-N 1 1 450.627 3.978 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1 ZINC001311556376 1069437538 /nfs/dbraw/zinc/43/75/38/1069437538.db2.gz PRZZAZUGMLGCRZ-KCWPFWIISA-N 1 1 450.627 3.978 20 0 JHADMO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001306703187 1069439096 /nfs/dbraw/zinc/43/90/96/1069439096.db2.gz POLWUCQIAVTJFH-INIZCTEOSA-N 1 1 466.424 3.673 20 0 JHADMO CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306703829 1069439687 /nfs/dbraw/zinc/43/96/87/1069439687.db2.gz OXQYVPKPMSNITG-NVXWUHKLSA-N 1 1 495.491 3.558 20 0 JHADMO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306715474 1069447376 /nfs/dbraw/zinc/44/73/76/1069447376.db2.gz JLKHFUCVGXCMKK-IBGZPJMESA-N 1 1 464.655 3.697 20 0 JHADMO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306715474 1069447377 /nfs/dbraw/zinc/44/73/77/1069447377.db2.gz JLKHFUCVGXCMKK-IBGZPJMESA-N 1 1 464.655 3.697 20 0 JHADMO COc1ccc(C[C@H]2CCCCN2C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC001311572240 1069444069 /nfs/dbraw/zinc/44/40/69/1069444069.db2.gz QNPDDUYYHUHCLT-FYYLOGMGSA-N 1 1 456.656 3.852 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574367 1069445092 /nfs/dbraw/zinc/44/50/92/1069445092.db2.gz RVGPBBNUDYUJMP-ILBGXUMGSA-N 1 1 450.627 3.996 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574367 1069445100 /nfs/dbraw/zinc/44/51/00/1069445100.db2.gz RVGPBBNUDYUJMP-ILBGXUMGSA-N 1 1 450.627 3.996 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306721827 1069458941 /nfs/dbraw/zinc/45/89/41/1069458941.db2.gz FMKSLOJXAKFGAH-PMACEKPBSA-N 1 1 495.093 3.662 20 0 JHADMO C[N@@H+](CCCOc1ccccc1CNC(=O)NCc1nnc2n1CCCCC2)C1CCCC1 ZINC001311605408 1069459156 /nfs/dbraw/zinc/45/91/56/1069459156.db2.gz PXQYCDRDRNTXAV-UHFFFAOYSA-N 1 1 454.619 3.647 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721899 1069459088 /nfs/dbraw/zinc/45/90/88/1069459088.db2.gz CMBJZBPVZOQXRX-RTWAWAEBSA-N 1 1 455.603 3.608 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 ZINC001306723149 1069462415 /nfs/dbraw/zinc/46/24/15/1069462415.db2.gz QHTUBOYROAZLTE-NBGIEHNGSA-N 1 1 469.634 3.585 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306723660 1069464191 /nfs/dbraw/zinc/46/41/91/1069464191.db2.gz UHBPNTCNDGKZEE-NHCUHLMSSA-N 1 1 482.677 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC)c1 ZINC001306724108 1069464848 /nfs/dbraw/zinc/46/48/48/1069464848.db2.gz XXPHHQNXBDNLDR-JOCHJYFZSA-N 1 1 451.619 3.978 20 0 JHADMO Cc1ccc(C2(NC(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)CCC2)cc1 ZINC001311615309 1069467229 /nfs/dbraw/zinc/46/72/29/1069467229.db2.gz RUCGVMKLIYMFEV-UHFFFAOYSA-N 1 1 450.583 3.534 20 0 JHADMO C/C(=C\c1ccccc1)CN(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001311615664 1069467698 /nfs/dbraw/zinc/46/76/98/1069467698.db2.gz WADZSIYRKUBCQX-HEHNFIMWSA-N 1 1 450.583 3.592 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001306727053 1069471120 /nfs/dbraw/zinc/47/11/20/1069471120.db2.gz CBVVZLWIDGODQC-FYYLOGMGSA-N 1 1 489.686 3.824 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726486 1069470082 /nfs/dbraw/zinc/47/00/82/1069470082.db2.gz NELVPXUARWADAJ-FPOVZHCZSA-N 1 1 495.640 3.749 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727338 1069472240 /nfs/dbraw/zinc/47/22/40/1069472240.db2.gz PUDBENZMJAZEIW-FGZHOGPDSA-N 1 1 490.693 3.884 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306730883 1069483535 /nfs/dbraw/zinc/48/35/35/1069483535.db2.gz ICPLRESPFYNLQW-LEWJYISDSA-N 1 1 482.677 3.521 20 0 JHADMO Cc1ccccc1C[NH+]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC001311653606 1069490218 /nfs/dbraw/zinc/49/02/18/1069490218.db2.gz NIQZHIZPQFRUKV-UHFFFAOYSA-N 1 1 459.388 3.614 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306732338 1069489181 /nfs/dbraw/zinc/48/91/81/1069489181.db2.gz HJTOBTHFFGWGTC-STAYPELNSA-N 1 1 495.716 3.906 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306733400 1069492157 /nfs/dbraw/zinc/49/21/57/1069492157.db2.gz XRYMNBOYDLSBHQ-HSZRJFAPSA-N 1 1 481.693 3.781 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001306734117 1069495434 /nfs/dbraw/zinc/49/54/34/1069495434.db2.gz ANDOVELCWMDTMR-PZJWPPBQSA-N 1 1 488.080 3.858 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306733931 1069495003 /nfs/dbraw/zinc/49/50/03/1069495003.db2.gz OILXDDBKOBEVQB-FYYLOGMGSA-N 1 1 481.689 3.983 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306734752 1069497546 /nfs/dbraw/zinc/49/75/46/1069497546.db2.gz PVQXPEUSJDDULS-NJYVYQBISA-N 1 1 455.651 3.669 20 0 JHADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)[C@H](C)C1 ZINC001311679439 1069500928 /nfs/dbraw/zinc/50/09/28/1069500928.db2.gz NHSKHQFWZMKACP-QGZVFWFLSA-N 1 1 455.521 3.796 20 0 JHADMO COC(=O)CC[N@H+]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)[C@H](C)C1 ZINC001311679439 1069500933 /nfs/dbraw/zinc/50/09/33/1069500933.db2.gz NHSKHQFWZMKACP-QGZVFWFLSA-N 1 1 455.521 3.796 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306737978 1069508222 /nfs/dbraw/zinc/50/82/22/1069508222.db2.gz XUEZIPSAKVXWFY-NHCUHLMSSA-N 1 1 469.678 3.916 20 0 JHADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCC3(c4ccc(F)cc4)CCOCC3)CC2)oc1C ZINC001311696211 1069508438 /nfs/dbraw/zinc/50/84/38/1069508438.db2.gz RRUDEBMBPLXRRE-UHFFFAOYSA-N 1 1 458.578 3.690 20 0 JHADMO CCN(CC1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1)C(=O)OC(C)(C)C ZINC001311701507 1069510656 /nfs/dbraw/zinc/51/06/56/1069510656.db2.gz WNVUJLQERBTBMT-UHFFFAOYSA-N 1 1 450.649 3.785 20 0 JHADMO CCN(CC1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1)C(=O)OC(C)(C)C ZINC001311701507 1069510663 /nfs/dbraw/zinc/51/06/63/1069510663.db2.gz WNVUJLQERBTBMT-UHFFFAOYSA-N 1 1 450.649 3.785 20 0 JHADMO 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 1069511358 /nfs/dbraw/zinc/51/13/58/1069511358.db2.gz PLIKMQLXHYRUJY-ZIFCJYIRSA-N 1 1 459.553 3.843 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)C1 ZINC001306742318 1069519797 /nfs/dbraw/zinc/51/97/97/1069519797.db2.gz FELFFGDYVVNKEG-FQEVSTJZSA-N 1 1 486.611 3.542 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306743545 1069522764 /nfs/dbraw/zinc/52/27/64/1069522764.db2.gz JSOXZCGIESRELL-XZOQPEGZSA-N 1 1 495.716 3.907 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001306745554 1069528551 /nfs/dbraw/zinc/52/85/51/1069528551.db2.gz RCVSQDJCTPHKKB-HXUWFJFHSA-N 1 1 456.610 3.701 20 0 JHADMO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@H+]1CCc2ccccc2C1 ZINC001311791447 1069547160 /nfs/dbraw/zinc/54/71/60/1069547160.db2.gz JYWVVHIFVNSLLI-XLIONFOSSA-N 1 1 457.416 3.774 20 0 JHADMO C[C@H](CNC(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001311793984 1069547506 /nfs/dbraw/zinc/54/75/06/1069547506.db2.gz ZPNLJQBAHJEHSX-IEBWSBKVSA-N 1 1 450.649 3.974 20 0 JHADMO C[C@H](CNC(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001311793984 1069547515 /nfs/dbraw/zinc/54/75/15/1069547515.db2.gz ZPNLJQBAHJEHSX-IEBWSBKVSA-N 1 1 450.649 3.974 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCn2cc[nH+]c2C)cc1OC ZINC001306755153 1069551794 /nfs/dbraw/zinc/55/17/94/1069551794.db2.gz NVHCSJVYNGPRQV-SFHVURJKSA-N 1 1 454.575 3.563 20 0 JHADMO CCCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001306757266 1069555634 /nfs/dbraw/zinc/55/56/34/1069555634.db2.gz WUWSFAQBTRNMOP-GSPCLOLRSA-N 1 1 477.694 3.560 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001311827770 1069564971 /nfs/dbraw/zinc/56/49/71/1069564971.db2.gz RGAKJCUDEZDHEP-SFHVURJKSA-N 1 1 451.409 3.792 20 0 JHADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c(=O)c1Br ZINC001306772192 1069570444 /nfs/dbraw/zinc/57/04/44/1069570444.db2.gz QQBLZCDUFVOLED-INIZCTEOSA-N 1 1 456.344 3.754 20 0 JHADMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)C1 ZINC001306779692 1069576144 /nfs/dbraw/zinc/57/61/44/1069576144.db2.gz IMAKEMZMMPIDIF-VWLOTQADSA-N 1 1 481.733 3.562 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)C1 ZINC001306779692 1069576153 /nfs/dbraw/zinc/57/61/53/1069576153.db2.gz IMAKEMZMMPIDIF-VWLOTQADSA-N 1 1 481.733 3.562 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 ZINC001306780360 1069577154 /nfs/dbraw/zinc/57/71/54/1069577154.db2.gz MZKHOPKQLSXVGW-LEWJYISDSA-N 1 1 460.692 3.705 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001306780366 1069577243 /nfs/dbraw/zinc/57/72/43/1069577243.db2.gz MZKHOPKQLSXVGW-SFTDATJTSA-N 1 1 460.692 3.705 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001306782920 1069581858 /nfs/dbraw/zinc/58/18/58/1069581858.db2.gz HAHFAKRZFMRYJG-FQEVSTJZSA-N 1 1 479.677 3.567 20 0 JHADMO CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856801 1069582861 /nfs/dbraw/zinc/58/28/61/1069582861.db2.gz DGHUTXFRPTXKCX-YADHBBJMSA-N 1 1 454.640 3.684 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2C(F)(F)F)C1 ZINC001306781305 1069579522 /nfs/dbraw/zinc/57/95/22/1069579522.db2.gz FLIBISRKCAHCRX-IBGZPJMESA-N 1 1 492.590 3.944 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001306781826 1069580050 /nfs/dbraw/zinc/58/00/50/1069580050.db2.gz BVQUGPQGUGAUMD-QGZVFWFLSA-N 1 1 456.664 3.649 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001306782345 1069580594 /nfs/dbraw/zinc/58/05/94/1069580594.db2.gz CYQGIASOSPXOSG-OAHLLOKOSA-N 1 1 467.565 3.975 20 0 JHADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869979 1069588380 /nfs/dbraw/zinc/58/83/80/1069588380.db2.gz BXEHTSCNLIMXSX-FGZHOGPDSA-N 1 1 458.965 3.938 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001306784916 1069585235 /nfs/dbraw/zinc/58/52/35/1069585235.db2.gz MVJMQBLVOVJNJS-OAQYLSRUSA-N 1 1 482.673 3.770 20 0 JHADMO CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccn1 ZINC001311863283 1069586481 /nfs/dbraw/zinc/58/64/81/1069586481.db2.gz YFIQJTMLZIPPMJ-NRFANRHFSA-N 1 1 453.631 3.642 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CC)C1 ZINC001306785780 1069587404 /nfs/dbraw/zinc/58/74/04/1069587404.db2.gz XJSDDNGXGFLQKN-CLOONOSVSA-N 1 1 452.603 3.929 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001306786412 1069588767 /nfs/dbraw/zinc/58/87/67/1069588767.db2.gz VAOYNUPKXLXMER-HNNXBMFYSA-N 1 1 496.969 3.962 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001306785835 1069587931 /nfs/dbraw/zinc/58/79/31/1069587931.db2.gz QVXOVMIDJODWHR-BJKOFHAPSA-N 1 1 466.674 3.934 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001306786423 1069589235 /nfs/dbraw/zinc/58/92/35/1069589235.db2.gz VFTAIDGQCAKDDS-CQSZACIVSA-N 1 1 484.958 3.895 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 ZINC001306787897 1069592144 /nfs/dbraw/zinc/59/21/44/1069592144.db2.gz FFXRYNTZSKLHKK-WATLYSKOSA-N 1 1 473.687 3.587 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001306787691 1069592304 /nfs/dbraw/zinc/59/23/04/1069592304.db2.gz GZEKDMRBJUZWLD-IBGZPJMESA-N 1 1 450.672 3.948 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001311878025 1069592979 /nfs/dbraw/zinc/59/29/79/1069592979.db2.gz BJKQZLGGAWJCCP-WOJBJXKFSA-N 1 1 454.537 3.536 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCSC2)C1 ZINC001306788175 1069593179 /nfs/dbraw/zinc/59/31/79/1069593179.db2.gz HJDSKJXQXMPHTH-BWKNWUBXSA-N 1 1 473.687 3.510 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 ZINC001306789675 1069595406 /nfs/dbraw/zinc/59/54/06/1069595406.db2.gz QZQOYNPCTGAGNG-RTWAWAEBSA-N 1 1 478.682 3.943 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 ZINC001306789677 1069595435 /nfs/dbraw/zinc/59/54/35/1069595435.db2.gz QZQOYNPCTGAGNG-SFTDATJTSA-N 1 1 478.682 3.943 20 0 JHADMO CCCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306790330 1069596084 /nfs/dbraw/zinc/59/60/84/1069596084.db2.gz YRBLZXHRNWPKCO-KDURUIRLSA-N 1 1 491.080 3.986 20 0 JHADMO CCCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306790330 1069596093 /nfs/dbraw/zinc/59/60/93/1069596093.db2.gz YRBLZXHRNWPKCO-KDURUIRLSA-N 1 1 491.080 3.986 20 0 JHADMO CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314146800 1069600629 /nfs/dbraw/zinc/60/06/29/1069600629.db2.gz XSPHTFYZMROGJP-BPYKYCOYSA-N 1 1 473.687 3.783 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001306798099 1069603539 /nfs/dbraw/zinc/60/35/39/1069603539.db2.gz NEMTWZCIIRJDQE-UHFFFAOYSA-N 1 1 482.075 3.780 20 0 JHADMO CCCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306800288 1069605012 /nfs/dbraw/zinc/60/50/12/1069605012.db2.gz XXZFWXDDUWBERX-UHFFFAOYSA-N 1 1 480.451 3.967 20 0 JHADMO CCCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306800288 1069605019 /nfs/dbraw/zinc/60/50/19/1069605019.db2.gz XXZFWXDDUWBERX-UHFFFAOYSA-N 1 1 480.451 3.967 20 0 JHADMO CCCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306800470 1069605720 /nfs/dbraw/zinc/60/57/20/1069605720.db2.gz AYZHJKQZXCHLMW-NJYVYQBISA-N 1 1 478.682 3.786 20 0 JHADMO CCC[N@@H+](CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C ZINC001306802046 1069607389 /nfs/dbraw/zinc/60/73/89/1069607389.db2.gz FOMVEBOBJHEDBM-JOCHJYFZSA-N 1 1 454.575 3.764 20 0 JHADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1ccc(Br)cc1 ZINC001311913120 1069610077 /nfs/dbraw/zinc/61/00/77/1069610077.db2.gz JXJRXILVEAJEQI-UHFFFAOYSA-N 1 1 451.796 3.724 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 ZINC001306803417 1069611631 /nfs/dbraw/zinc/61/16/31/1069611631.db2.gz WSAPWGUAHRXZTB-FQEVSTJZSA-N 1 1 453.429 3.773 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306803290 1069611640 /nfs/dbraw/zinc/61/16/40/1069611640.db2.gz VMQDTEOYHGAFJE-UXHICEINSA-N 1 1 489.462 3.687 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306805751 1069617174 /nfs/dbraw/zinc/61/71/74/1069617174.db2.gz XOKRDETUXQEQDG-HXUWFJFHSA-N 1 1 481.645 3.884 20 0 JHADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCCc4ccc(Cl)cc43)c2)C1 ZINC001311928329 1069617389 /nfs/dbraw/zinc/61/73/89/1069617389.db2.gz QZACPMSXATXJDD-REWPJTCUSA-N 1 1 455.002 3.914 20 0 JHADMO CCOc1c(Cl)cc(Cn2c(N3CC[C@@](C)([NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1OC ZINC001314152602 1069617589 /nfs/dbraw/zinc/61/75/89/1069617589.db2.gz JBHLOOPRIXWQGE-RUZDIDTESA-N 1 1 492.064 3.986 20 0 JHADMO CCC[N@@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001306806203 1069617988 /nfs/dbraw/zinc/61/79/88/1069617988.db2.gz IIRLWCCTROBMHB-UHFFFAOYSA-N 1 1 469.584 3.601 20 0 JHADMO CCC[N@@H+](CC)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001306806477 1069618727 /nfs/dbraw/zinc/61/87/27/1069618727.db2.gz LPYXWHXTDZFLKZ-MHZLTWQESA-N 1 1 485.673 3.980 20 0 JHADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001306807080 1069620795 /nfs/dbraw/zinc/62/07/95/1069620795.db2.gz NUEYDEJXNLXIGD-QFIPXVFZSA-N 1 1 451.619 3.933 20 0 JHADMO CCC[N@@H+](CC)CCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306808026 1069623626 /nfs/dbraw/zinc/62/36/26/1069623626.db2.gz FQBHHYXSIIDYDW-DFBJGRDBSA-N 1 1 459.610 3.925 20 0 JHADMO CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001306808115 1069624250 /nfs/dbraw/zinc/62/42/50/1069624250.db2.gz FLPSVCFCWRAFBV-QFIPXVFZSA-N 1 1 456.610 3.968 20 0 JHADMO CCOc1cc(C)ccc1Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001314157162 1069630899 /nfs/dbraw/zinc/63/08/99/1069630899.db2.gz AMTGJNJVZZFWNJ-FQEVSTJZSA-N 1 1 469.655 3.843 20 0 JHADMO CCOc1cc(C)ccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001314158293 1069635265 /nfs/dbraw/zinc/63/52/65/1069635265.db2.gz VYZDPZAPEQEKHY-UHFFFAOYSA-N 1 1 470.662 3.872 20 0 JHADMO CCOc1cc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)ccc1OC(F)F ZINC001314158986 1069638543 /nfs/dbraw/zinc/63/85/43/1069638543.db2.gz ATRKUKKIBREEAL-QGZVFWFLSA-N 1 1 472.540 3.919 20 0 JHADMO CCCN(CC1CC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306816758 1069638900 /nfs/dbraw/zinc/63/89/00/1069638900.db2.gz LPJZHAQEQGSYCV-YMPZKCBVSA-N 1 1 460.711 3.849 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC001311976602 1069647055 /nfs/dbraw/zinc/64/70/55/1069647055.db2.gz QKADZRUOFMHELF-MRXNPFEDSA-N 1 1 457.482 3.505 20 0 JHADMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001311994443 1069656968 /nfs/dbraw/zinc/65/69/68/1069656968.db2.gz QCDXRZOJZXZPPL-KRWDZBQOSA-N 1 1 459.472 3.770 20 0 JHADMO CCOc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001314165965 1069663753 /nfs/dbraw/zinc/66/37/53/1069663753.db2.gz HLTKKIYLCHDZKI-NRFANRHFSA-N 1 1 487.645 3.672 20 0 JHADMO CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001314166584 1069666021 /nfs/dbraw/zinc/66/60/21/1069666021.db2.gz NYZIHAXJIFOPMZ-LEWJYISDSA-N 1 1 457.619 3.842 20 0 JHADMO CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)Cc1ccc(Cl)cc1Cl ZINC001312011699 1069668872 /nfs/dbraw/zinc/66/88/72/1069668872.db2.gz ZKONMFHZQJVXAO-ROUUACIJSA-N 1 1 457.446 3.695 20 0 JHADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001312016542 1069672291 /nfs/dbraw/zinc/67/22/91/1069672291.db2.gz CFUMIADNLHOCPT-WOJBJXKFSA-N 1 1 457.416 3.992 20 0 JHADMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C(=O)C3)c2)C1 ZINC001306884047 1069673281 /nfs/dbraw/zinc/67/32/81/1069673281.db2.gz QPUXEHQDTAXVDZ-NRFANRHFSA-N 1 1 459.512 3.999 20 0 JHADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC001306897871 1069677774 /nfs/dbraw/zinc/67/77/74/1069677774.db2.gz FRLFWPBHFCJUPZ-DLBZAZTESA-N 1 1 451.951 3.589 20 0 JHADMO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169136 1069675602 /nfs/dbraw/zinc/67/56/02/1069675602.db2.gz UGQBEVUZYQZPKE-IAGOWNOFSA-N 1 1 485.658 3.674 20 0 JHADMO CC(C)(C)n1nc(Br)c2c1ncnc2NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001306911037 1069682658 /nfs/dbraw/zinc/68/26/58/1069682658.db2.gz OBGCMTYWGSKYDV-MRXNPFEDSA-N 1 1 459.392 3.657 20 0 JHADMO CC(C)(C)n1nc(Br)c2c1ncnc2NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001306911037 1069682660 /nfs/dbraw/zinc/68/26/60/1069682660.db2.gz OBGCMTYWGSKYDV-MRXNPFEDSA-N 1 1 459.392 3.657 20 0 JHADMO CCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170078 1069678611 /nfs/dbraw/zinc/67/86/11/1069678611.db2.gz YCODBQBOBMUKBZ-IAGOWNOFSA-N 1 1 485.658 3.734 20 0 JHADMO CCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[N@H+]2CCCC[C@@H]2CC)cc1OC ZINC001314172231 1069689370 /nfs/dbraw/zinc/68/93/70/1069689370.db2.gz FIOADLJCZHEBOD-QFIPXVFZSA-N 1 1 498.672 3.676 20 0 JHADMO CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001314172422 1069689409 /nfs/dbraw/zinc/68/94/09/1069689409.db2.gz HOYWBPFWTVZFGN-FYYLOGMGSA-N 1 1 484.689 3.861 20 0 JHADMO CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCn2cc[nH+]c2C)cc1OC ZINC001314172902 1069691671 /nfs/dbraw/zinc/69/16/71/1069691671.db2.gz BDFAFNDRBWPFDR-SFHVURJKSA-N 1 1 468.602 3.951 20 0 JHADMO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001312065590 1069701381 /nfs/dbraw/zinc/70/13/81/1069701381.db2.gz SVOHXMNNXZEVEH-LGVFNWMJSA-N 1 1 455.672 3.641 20 0 JHADMO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CC ZINC001307008837 1069705082 /nfs/dbraw/zinc/70/50/82/1069705082.db2.gz NUZNGROVOXRDBJ-VQTJNVASSA-N 1 1 464.655 3.697 20 0 JHADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001312073300 1069706092 /nfs/dbraw/zinc/70/60/92/1069706092.db2.gz DBICQOQSNUAQHC-RBBKRZOGSA-N 1 1 455.002 3.999 20 0 JHADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC001312073669 1069706916 /nfs/dbraw/zinc/70/69/16/1069706916.db2.gz BLPNMTFCVJWSSQ-AVRDEDQJSA-N 1 1 458.603 3.874 20 0 JHADMO 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CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC001307663784 1070110378 /nfs/dbraw/zinc/11/03/78/1070110378.db2.gz LTMBOAMTTGZGAU-GOSISDBHSA-N 1 1 451.546 3.828 20 0 JHADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+](C)CCCNC(=O)C2CCC2)C1=O ZINC001307677943 1070120429 /nfs/dbraw/zinc/12/04/29/1070120429.db2.gz ZFIKSDLEVOINMS-LJQANCHMSA-N 1 1 450.421 3.800 20 0 JHADMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC001307684101 1070123745 /nfs/dbraw/zinc/12/37/45/1070123745.db2.gz KDIIKGZNFNYUSJ-KRWDZBQOSA-N 1 1 455.555 3.520 20 0 JHADMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC001307683643 1070123788 /nfs/dbraw/zinc/12/37/88/1070123788.db2.gz DUQXBIGGOZCWQM-NRFANRHFSA-N 1 1 454.394 3.934 20 0 JHADMO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)C1=O ZINC001307686190 1070125657 /nfs/dbraw/zinc/12/56/57/1070125657.db2.gz KAHWCADOFJUGCU-ABAIWWIYSA-N 1 1 453.358 3.762 20 0 JHADMO 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 1070132600 /nfs/dbraw/zinc/13/26/00/1070132600.db2.gz SPSHQCKGQHNJAO-VSKRKVRLSA-N 1 1 492.709 3.922 20 0 JHADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001312805854 1070133793 /nfs/dbraw/zinc/13/37/93/1070133793.db2.gz HVWYDDCARDEOSK-HNNXBMFYSA-N 1 1 459.372 3.573 20 0 JHADMO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(=Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC001307708586 1070137833 /nfs/dbraw/zinc/13/78/33/1070137833.db2.gz MIMYFOBRGNILAI-UHFFFAOYSA-N 1 1 455.549 3.797 20 0 JHADMO COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)c1 ZINC001312815052 1070138214 /nfs/dbraw/zinc/13/82/14/1070138214.db2.gz KHBHHSHRLMDMBM-CJFMBICVSA-N 1 1 452.599 3.589 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314340688 1070138603 /nfs/dbraw/zinc/13/86/03/1070138603.db2.gz CJSJFSVBXYXRDS-OALUTQOASA-N 1 1 474.616 3.646 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCN1c2ccccc2C[C@@H]1C ZINC001314341044 1070139350 /nfs/dbraw/zinc/13/93/50/1070139350.db2.gz FBAABZDQNNOHRW-NRFANRHFSA-N 1 1 454.663 3.822 20 0 JHADMO CCOCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1Cc1nccn1C(F)F ZINC001314341791 1070141917 /nfs/dbraw/zinc/14/19/17/1070141917.db2.gz KXMDMBNZHAWQSF-SFHVURJKSA-N 1 1 465.593 3.935 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001314341937 1070142599 /nfs/dbraw/zinc/14/25/99/1070142599.db2.gz MISXPPRCCOVRMC-QHCPKHFHSA-N 1 1 455.647 3.978 20 0 JHADMO CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001312837408 1070147088 /nfs/dbraw/zinc/14/70/88/1070147088.db2.gz JLMWRZAQXBPJNV-GOSISDBHSA-N 1 1 457.537 3.549 20 0 JHADMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCN1C(=O)CS/C1=C/C(=O)OC ZINC001307724122 1070148736 /nfs/dbraw/zinc/14/87/36/1070148736.db2.gz FLHNRZZTCLPWST-SKCQWOFPSA-N 1 1 453.402 3.566 20 0 JHADMO COC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC001307727245 1070152087 /nfs/dbraw/zinc/15/20/87/1070152087.db2.gz PYSXRNKETAXAOK-SJLPKXTDSA-N 1 1 455.864 3.923 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731905 1070154992 /nfs/dbraw/zinc/15/49/92/1070154992.db2.gz MVHJKOPSKNVNEI-DLBZAZTESA-N 1 1 457.596 3.799 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731905 1070155001 /nfs/dbraw/zinc/15/50/01/1070155001.db2.gz MVHJKOPSKNVNEI-DLBZAZTESA-N 1 1 457.596 3.799 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731906 1070155128 /nfs/dbraw/zinc/15/51/28/1070155128.db2.gz MVHJKOPSKNVNEI-IAGOWNOFSA-N 1 1 457.596 3.799 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731906 1070155136 /nfs/dbraw/zinc/15/51/36/1070155136.db2.gz MVHJKOPSKNVNEI-IAGOWNOFSA-N 1 1 457.596 3.799 20 0 JHADMO CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(OC)c(Cl)c1 ZINC001314347747 1070155980 /nfs/dbraw/zinc/15/59/80/1070155980.db2.gz QKQOGDFBTOZRFM-UHFFFAOYSA-N 1 1 491.080 3.520 20 0 JHADMO CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCc1ccc(CC)cc1 ZINC001314347730 1070156046 /nfs/dbraw/zinc/15/60/46/1070156046.db2.gz PULPPVDNKWRUEZ-UHFFFAOYSA-N 1 1 468.690 3.615 20 0 JHADMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732958 1070156918 /nfs/dbraw/zinc/15/69/18/1070156918.db2.gz SSQXZZKDWIULHX-FDPIWHGQSA-N 1 1 456.368 3.881 20 0 JHADMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744332 1070162349 /nfs/dbraw/zinc/16/23/49/1070162349.db2.gz AMCVTRSVKIFKHR-UXHICEINSA-N 1 1 453.624 3.782 20 0 JHADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748717 1070164863 /nfs/dbraw/zinc/16/48/63/1070164863.db2.gz PEMCDGODSGZZJA-PMACEKPBSA-N 1 1 453.624 3.735 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314351289 1070170838 /nfs/dbraw/zinc/17/08/38/1070170838.db2.gz BMOAAFTZVDUPFE-RTBURBONSA-N 1 1 460.598 3.517 20 0 JHADMO CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)CC1 ZINC001307760384 1070171698 /nfs/dbraw/zinc/17/16/98/1070171698.db2.gz USVZVBNKHQMRBM-CPXZFZLSSA-N 1 1 458.643 3.853 20 0 JHADMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001307764390 1070173768 /nfs/dbraw/zinc/17/37/68/1070173768.db2.gz XZZNODYUIXXTMF-PXNSSMCTSA-N 1 1 453.539 3.978 20 0 JHADMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001307764390 1070173776 /nfs/dbraw/zinc/17/37/76/1070173776.db2.gz XZZNODYUIXXTMF-PXNSSMCTSA-N 1 1 453.539 3.978 20 0 JHADMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC001307788697 1070182870 /nfs/dbraw/zinc/18/28/70/1070182870.db2.gz AOKFWZXIZHFIFL-QPPBQGQZSA-N 1 1 451.611 3.615 20 0 JHADMO Cn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001307786814 1070181852 /nfs/dbraw/zinc/18/18/52/1070181852.db2.gz JVCXRUQBPIBHDU-MRXNPFEDSA-N 1 1 459.331 3.603 20 0 JHADMO 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 1070182038 /nfs/dbraw/zinc/18/20/38/1070182038.db2.gz VIDPLVPABIDLMO-BAGYTPMASA-N 1 1 490.693 3.817 20 0 JHADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCC3)nc2c1 ZINC001307792857 1070184476 /nfs/dbraw/zinc/18/44/76/1070184476.db2.gz GXGLVNVYBGZQAG-HSZRJFAPSA-N 1 1 456.612 3.587 20 0 JHADMO CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001314362387 1070186606 /nfs/dbraw/zinc/18/66/06/1070186606.db2.gz QQOMYBBRMBBRQV-SFYKDHMMSA-N 1 1 465.639 3.884 20 0 JHADMO CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001314362387 1070186612 /nfs/dbraw/zinc/18/66/12/1070186612.db2.gz QQOMYBBRMBBRQV-SFYKDHMMSA-N 1 1 465.639 3.884 20 0 JHADMO C[C@@H](NC(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810273 1070193426 /nfs/dbraw/zinc/19/34/26/1070193426.db2.gz ASZHSDQWHABYQP-ZHRRBRCNSA-N 1 1 454.464 3.829 20 0 JHADMO COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)c1 ZINC001307817123 1070197769 /nfs/dbraw/zinc/19/77/69/1070197769.db2.gz SKNRKRBCBVDBBO-SQJMNOBHSA-N 1 1 459.587 3.532 20 0 JHADMO COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)c1 ZINC001307817123 1070197773 /nfs/dbraw/zinc/19/77/73/1070197773.db2.gz SKNRKRBCBVDBBO-SQJMNOBHSA-N 1 1 459.587 3.532 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCCn1cc[nH+]c1C ZINC001314366608 1070198677 /nfs/dbraw/zinc/19/86/77/1070198677.db2.gz GMBVIEGCNFESBY-FQEVSTJZSA-N 1 1 475.638 3.636 20 0 JHADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](C)[C@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820522 1070200460 /nfs/dbraw/zinc/20/04/60/1070200460.db2.gz LCTPANHOLJYIMN-LOSJGSFVSA-N 1 1 451.611 3.517 20 0 JHADMO CC[N@@H+](CCCNC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)C1CCCCC1 ZINC001312964718 1070202523 /nfs/dbraw/zinc/20/25/23/1070202523.db2.gz XEKHHZTZAPBKGQ-LJQANCHMSA-N 1 1 454.537 3.851 20 0 JHADMO O=C(CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307828409 1070203284 /nfs/dbraw/zinc/20/32/84/1070203284.db2.gz DEVMDRHNDRNPMA-HXUWFJFHSA-N 1 1 457.512 3.545 20 0 JHADMO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NC[C@H]2CC[N@H+]2CC)cc1 ZINC001312987570 1070208567 /nfs/dbraw/zinc/20/85/67/1070208567.db2.gz FFVXQENDIQYVEM-HJNYFJLDSA-N 1 1 460.619 3.572 20 0 JHADMO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001307857975 1070213171 /nfs/dbraw/zinc/21/31/71/1070213171.db2.gz POUFDABQNOZLHA-UHFFFAOYSA-N 1 1 459.631 3.653 20 0 JHADMO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)cc1F ZINC001307863226 1070215747 /nfs/dbraw/zinc/21/57/47/1070215747.db2.gz JJVKIXCRXYCGLX-UHFFFAOYSA-N 1 1 454.546 3.617 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001314376390 1070216272 /nfs/dbraw/zinc/21/62/72/1070216272.db2.gz ZCJLPNHDXIFCSL-UHFFFAOYSA-N 1 1 469.552 3.862 20 0 JHADMO 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 1070216752 /nfs/dbraw/zinc/21/67/52/1070216752.db2.gz OXQCXVGNLFRBSE-HLAWJBBLSA-N 1 1 477.650 3.750 20 0 JHADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC001307882650 1070222209 /nfs/dbraw/zinc/22/22/09/1070222209.db2.gz MJYNUOUAKMIDGY-VOIUYBSRSA-N 1 1 473.595 3.694 20 0 JHADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC001307882650 1070222220 /nfs/dbraw/zinc/22/22/20/1070222220.db2.gz MJYNUOUAKMIDGY-VOIUYBSRSA-N 1 1 473.595 3.694 20 0 JHADMO O=C(N1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC12CCCCC2)C(F)(F)F ZINC001307886890 1070226190 /nfs/dbraw/zinc/22/61/90/1070226190.db2.gz XQQLFODWWXKSMZ-NRFANRHFSA-N 1 1 453.549 3.687 20 0 JHADMO 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 1070225218 /nfs/dbraw/zinc/22/52/18/1070225218.db2.gz FPKAXGSZZQCJFU-ZDFPQIBNSA-N 1 1 459.587 3.939 20 0 JHADMO CCOCc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001314386934 1070234105 /nfs/dbraw/zinc/23/41/05/1070234105.db2.gz CSDNAVUBRNIGAT-UHFFFAOYSA-N 1 1 468.568 3.890 20 0 JHADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001307909521 1070235496 /nfs/dbraw/zinc/23/54/96/1070235496.db2.gz GQOJRKZQSRETJO-IBGZPJMESA-N 1 1 459.974 3.876 20 0 JHADMO O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916656 1070239146 /nfs/dbraw/zinc/23/91/46/1070239146.db2.gz HFARWNZAYHHGAG-FPOVZHCZSA-N 1 1 451.533 3.833 20 0 JHADMO O=C(N1CCC[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)C1)C(F)(F)F ZINC001307917024 1070240293 /nfs/dbraw/zinc/24/02/93/1070240293.db2.gz MYVGKZVEHJSYOW-VXKWHMMOSA-N 1 1 453.549 3.674 20 0 JHADMO CCC1(CC)CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC001307929545 1070247172 /nfs/dbraw/zinc/24/71/72/1070247172.db2.gz XFDQLPDCICFSFF-UHFFFAOYSA-N 1 1 457.640 3.575 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390345 1070243865 /nfs/dbraw/zinc/24/38/65/1070243865.db2.gz KSTPQGJJHYIWQV-MBSDFSHPSA-N 1 1 481.563 3.575 20 0 JHADMO CCCCCOc1ccc(Br)cc1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001307937261 1070249267 /nfs/dbraw/zinc/24/92/67/1070249267.db2.gz WVOJDNGUPCROGG-UHFFFAOYSA-N 1 1 450.381 3.546 20 0 JHADMO CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)[NH+]3C[C@@H](CO)[C@H](CO)C3)n2)cc1 ZINC001307960286 1070258447 /nfs/dbraw/zinc/25/84/47/1070258447.db2.gz DGQRWDUVSUBSPE-QNWVGRARSA-N 1 1 451.592 3.585 20 0 JHADMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001313118486 1070256430 /nfs/dbraw/zinc/25/64/30/1070256430.db2.gz ZYHJKVOHCGILDO-FUHWJXTLSA-N 1 1 453.427 3.771 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001314397550 1070257213 /nfs/dbraw/zinc/25/72/13/1070257213.db2.gz UHSFAVDXIJJDOC-IBGZPJMESA-N 1 1 478.663 3.502 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](C)Oc1ccccc1C ZINC001314397290 1070257256 /nfs/dbraw/zinc/25/72/56/1070257256.db2.gz RSENFEJHOCMHQZ-FQEVSTJZSA-N 1 1 455.628 3.974 20 0 JHADMO C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC001313125097 1070259601 /nfs/dbraw/zinc/25/96/01/1070259601.db2.gz XAJOPHZVLGQKHL-RLCCDNCMSA-N 1 1 469.335 3.695 20 0 JHADMO 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 1070264292 /nfs/dbraw/zinc/26/42/92/1070264292.db2.gz CMLAKQJKNFAAGZ-QSAXNBNMSA-N 1 1 456.631 3.843 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001313135265 1070264518 /nfs/dbraw/zinc/26/45/18/1070264518.db2.gz BSIZMHDPTMBJDB-KNQAVFIVSA-N 1 1 455.002 3.576 20 0 JHADMO COc1ccc([C@H](O)C2CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001313137859 1070266530 /nfs/dbraw/zinc/26/65/30/1070266530.db2.gz MUSRXYNBSKZGRX-ZOSUSCCZSA-N 1 1 451.611 3.918 20 0 JHADMO COc1cccc([C@@H](O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)c1 ZINC001307978712 1070266972 /nfs/dbraw/zinc/26/69/72/1070266972.db2.gz UXYCRGPZGLDZDD-CJAUYULYSA-N 1 1 451.567 3.595 20 0 JHADMO O=C(CN[C@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307980462 1070267964 /nfs/dbraw/zinc/26/79/64/1070267964.db2.gz VOKKEAMBWZGHPX-JOCHJYFZSA-N 1 1 450.410 3.919 20 0 JHADMO CCOCc1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001314411483 1070277362 /nfs/dbraw/zinc/27/73/62/1070277362.db2.gz AWXGWVMAXNSHGH-UHFFFAOYSA-N 1 1 451.681 3.572 20 0 JHADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001308009574 1070278057 /nfs/dbraw/zinc/27/80/57/1070278057.db2.gz RBXPWZRXBKLTIS-BBRMVZONSA-N 1 1 458.481 3.976 20 0 JHADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001308009574 1070278068 /nfs/dbraw/zinc/27/80/68/1070278068.db2.gz RBXPWZRXBKLTIS-BBRMVZONSA-N 1 1 458.481 3.976 20 0 JHADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001308009580 1070278508 /nfs/dbraw/zinc/27/85/08/1070278508.db2.gz RBXPWZRXBKLTIS-CZUORRHYSA-N 1 1 458.481 3.976 20 0 JHADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001308009580 1070278521 /nfs/dbraw/zinc/27/85/21/1070278521.db2.gz RBXPWZRXBKLTIS-CZUORRHYSA-N 1 1 458.481 3.976 20 0 JHADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC001313176692 1070281743 /nfs/dbraw/zinc/28/17/43/1070281743.db2.gz WOWLEDHVPBUNLO-SFHVURJKSA-N 1 1 452.418 3.861 20 0 JHADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC001313176692 1070281751 /nfs/dbraw/zinc/28/17/51/1070281751.db2.gz WOWLEDHVPBUNLO-SFHVURJKSA-N 1 1 452.418 3.861 20 0 JHADMO COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001308033231 1070287618 /nfs/dbraw/zinc/28/76/18/1070287618.db2.gz NMGSPJUAMXTGBF-OAHLLOKOSA-N 1 1 450.801 3.999 20 0 JHADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC001313180458 1070284529 /nfs/dbraw/zinc/28/45/29/1070284529.db2.gz ZYVCJVVWNVZXDS-FTJBHMTQSA-N 1 1 451.611 3.629 20 0 JHADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC001313180458 1070284542 /nfs/dbraw/zinc/28/45/42/1070284542.db2.gz ZYVCJVVWNVZXDS-FTJBHMTQSA-N 1 1 451.611 3.629 20 0 JHADMO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001308026495 1070284608 /nfs/dbraw/zinc/28/46/08/1070284608.db2.gz KQNYVVQWSFFABO-OAHLLOKOSA-N 1 1 452.345 3.735 20 0 JHADMO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001308026495 1070284618 /nfs/dbraw/zinc/28/46/18/1070284618.db2.gz KQNYVVQWSFFABO-OAHLLOKOSA-N 1 1 452.345 3.735 20 0 JHADMO CCOC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314418859 1070288742 /nfs/dbraw/zinc/28/87/42/1070288742.db2.gz LGHCLVDLNWIXSB-BDTNDASRSA-N 1 1 471.646 3.706 20 0 JHADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC001313198403 1070290006 /nfs/dbraw/zinc/29/00/06/1070290006.db2.gz UMAIUHWWVPTMQE-IBGZPJMESA-N 1 1 458.400 3.979 20 0 JHADMO CC(C)(C)OC(=O)N1CC(O)(C[N@H+](Cc2ccccc2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC001308047429 1070291669 /nfs/dbraw/zinc/29/16/69/1070291669.db2.gz CJYHUIQPAUHBCI-OALUTQOASA-N 1 1 458.521 3.970 20 0 JHADMO 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 1070293949 /nfs/dbraw/zinc/29/39/49/1070293949.db2.gz SZXZWVIJCQESOP-YDIMBITNSA-N 1 1 453.624 3.734 20 0 JHADMO COC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)C1 ZINC001308052053 1070294065 /nfs/dbraw/zinc/29/40/65/1070294065.db2.gz PUSOKYHLHGNAEI-OAQYLSRUSA-N 1 1 451.567 3.529 20 0 JHADMO COC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)C1 ZINC001308052053 1070294075 /nfs/dbraw/zinc/29/40/75/1070294075.db2.gz PUSOKYHLHGNAEI-OAQYLSRUSA-N 1 1 451.567 3.529 20 0 JHADMO 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 1070296318 /nfs/dbraw/zinc/29/63/18/1070296318.db2.gz DOYCXFCRBNHARO-BFYDXBDKSA-N 1 1 457.493 3.543 20 0 JHADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305298 /nfs/dbraw/zinc/30/52/98/1070305298.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 1 1 472.674 3.512 20 0 JHADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001313255417 1070308090 /nfs/dbraw/zinc/30/80/90/1070308090.db2.gz SAUMJILOXVZCFM-YKNMQBHDSA-N 1 1 457.615 3.744 20 0 JHADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289885 1070318355 /nfs/dbraw/zinc/31/83/55/1070318355.db2.gz JLYGTNMXXALAAW-QGZVFWFLSA-N 1 1 458.550 3.635 20 0 JHADMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001308112049 1070317145 /nfs/dbraw/zinc/31/71/45/1070317145.db2.gz ZHEBIPOKAMXGKU-QGZVFWFLSA-N 1 1 454.011 3.865 20 0 JHADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308127768 1070323738 /nfs/dbraw/zinc/32/37/38/1070323738.db2.gz AVAHCTKWPODGCS-HUUCEWRRSA-N 1 1 472.449 3.658 20 0 JHADMO COCC[N@H+](CCC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC001308141694 1070327304 /nfs/dbraw/zinc/32/73/04/1070327304.db2.gz IFIMCGXWCLRKFB-UHFFFAOYSA-N 1 1 453.583 4.000 20 0 JHADMO COCC[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC001308141694 1070327320 /nfs/dbraw/zinc/32/73/20/1070327320.db2.gz IFIMCGXWCLRKFB-UHFFFAOYSA-N 1 1 453.583 4.000 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001308158310 1070332575 /nfs/dbraw/zinc/33/25/75/1070332575.db2.gz VZHXLSUUXXMUDD-QHCPKHFHSA-N 1 1 452.617 3.725 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001308158310 1070332592 /nfs/dbraw/zinc/33/25/92/1070332592.db2.gz VZHXLSUUXXMUDD-QHCPKHFHSA-N 1 1 452.617 3.725 20 0 JHADMO CCCCNC(=O)C1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001313365986 1070338513 /nfs/dbraw/zinc/33/85/13/1070338513.db2.gz JDUMRWLCUCBJKQ-IZZNHLLZSA-N 1 1 462.638 3.993 20 0 JHADMO CCOC[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001314443931 1070336106 /nfs/dbraw/zinc/33/61/06/1070336106.db2.gz VWFIHHLZNREFBK-REWPJTCUSA-N 1 1 486.064 3.959 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001314443930 1070336192 /nfs/dbraw/zinc/33/61/92/1070336192.db2.gz VWFIHHLZNREFBK-OFNKIYASSA-N 1 1 486.064 3.959 20 0 JHADMO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1Br)c1ccccc1OCC(=O)N(C)C ZINC001308207918 1070341100 /nfs/dbraw/zinc/34/11/00/1070341100.db2.gz ISGPFMFHINJXNQ-MRXNPFEDSA-N 1 1 451.361 3.871 20 0 JHADMO CC[C@@H](NC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)NCc1cccs1 ZINC001313403595 1070349008 /nfs/dbraw/zinc/34/90/08/1070349008.db2.gz LGKKIQHJUWHKMP-BESBDSHLSA-N 1 1 454.640 3.743 20 0 JHADMO COc1ccc(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OCC(N)=O ZINC001308290935 1070353205 /nfs/dbraw/zinc/35/32/05/1070353205.db2.gz NAUZNVVUXXIKMW-UHFFFAOYSA-N 1 1 451.470 3.991 20 0 JHADMO CCOCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314457995 1070358625 /nfs/dbraw/zinc/35/86/25/1070358625.db2.gz VGDHLMRGTOOLNP-SFHVURJKSA-N 1 1 479.572 3.663 20 0 JHADMO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC001308315128 1070355121 /nfs/dbraw/zinc/35/51/21/1070355121.db2.gz OIDHONQEZFGCIC-SNVBAGLBSA-N 1 1 456.387 3.972 20 0 JHADMO C[NH+](C)CC(=O)Nc1ccc(NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001308321660 1070356436 /nfs/dbraw/zinc/35/64/36/1070356436.db2.gz GVIUHZHNYANBHJ-SFHVURJKSA-N 1 1 456.587 3.950 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313446576 1070363832 /nfs/dbraw/zinc/36/38/32/1070363832.db2.gz COZIUTDNGGHBEU-UTKZUKDTSA-N 1 1 489.462 3.639 20 0 JHADMO CCn1c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)nc(Br)c1Br ZINC001308348868 1070359968 /nfs/dbraw/zinc/35/99/68/1070359968.db2.gz DHIRYVKRAFQUDL-GFCCVEGCSA-N 1 1 451.203 3.984 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313446794 1070364507 /nfs/dbraw/zinc/36/45/07/1070364507.db2.gz FSHNQFAQHYALKW-UXHICEINSA-N 1 1 469.634 3.660 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C ZINC001313447165 1070366404 /nfs/dbraw/zinc/36/64/04/1070366404.db2.gz JLAWRKWXBGZSFR-KRWDZBQOSA-N 1 1 477.451 3.543 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(F)(F)F ZINC001313447477 1070367486 /nfs/dbraw/zinc/36/74/86/1070367486.db2.gz KCGAYUYKDBOJKP-INIZCTEOSA-N 1 1 471.524 3.844 20 0 JHADMO CCCOc1c(Br)cc(Br)cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC001308392677 1070367503 /nfs/dbraw/zinc/36/75/03/1070367503.db2.gz NOWYBAUDNGROIH-UHFFFAOYSA-N 1 1 455.212 3.667 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313448020 1070369739 /nfs/dbraw/zinc/36/97/39/1070369739.db2.gz OAIRYGFOEDYSNM-URVUXULASA-N 1 1 488.702 3.552 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001313448277 1070370331 /nfs/dbraw/zinc/37/03/31/1070370331.db2.gz MVBWUDIGQYRLMD-FQEVSTJZSA-N 1 1 465.577 3.618 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313449796 1070375225 /nfs/dbraw/zinc/37/52/25/1070375225.db2.gz ZTOLWYKGWRJAOF-HFSMHLIXSA-N 1 1 496.077 3.569 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001313449120 1070374171 /nfs/dbraw/zinc/37/41/71/1070374171.db2.gz VFZRJEOAEUQALJ-OALUTQOASA-N 1 1 458.582 3.674 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 ZINC001313449809 1070375646 /nfs/dbraw/zinc/37/56/46/1070375646.db2.gz JUEFFUVHLCIYTH-BHIFYINESA-N 1 1 490.693 3.882 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001313450111 1070376981 /nfs/dbraw/zinc/37/69/81/1070376981.db2.gz JOVUNRGLKIMUHY-IBGZPJMESA-N 1 1 460.026 3.618 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313450287 1070377055 /nfs/dbraw/zinc/37/70/55/1070377055.db2.gz WAJYOJIRNBZUSN-NSHGMRRFSA-N 1 1 488.658 3.706 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001313451916 1070380921 /nfs/dbraw/zinc/38/09/21/1070380921.db2.gz CBDUCWQTJAWVIO-RXVVDRJESA-N 1 1 457.541 3.503 20 0 JHADMO Cc1cc(Br)cc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c1OC(F)F ZINC001308482517 1070381318 /nfs/dbraw/zinc/38/13/18/1070381318.db2.gz RGWOAGFAHUSJMR-UHFFFAOYSA-N 1 1 457.271 3.858 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 ZINC001313452149 1070381924 /nfs/dbraw/zinc/38/19/24/1070381924.db2.gz GGUQGKYRHHRSAM-OALUTQOASA-N 1 1 464.680 3.778 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313452234 1070382240 /nfs/dbraw/zinc/38/22/40/1070382240.db2.gz JDIOALUVOJBSOB-RTWAWAEBSA-N 1 1 460.667 3.989 20 0 JHADMO 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 1070382111 /nfs/dbraw/zinc/38/21/11/1070382111.db2.gz CJFVDZGWWDGGNR-PLACYPQZSA-N 1 1 465.683 3.557 20 0 JHADMO COC(=O)c1cccc2c(C[N@@H+]3CCN(C(=O)Cc4cccc(Cl)c4)[C@@H](C)C3)ccnc12 ZINC001308563834 1070390491 /nfs/dbraw/zinc/39/04/91/1070390491.db2.gz CWJQQLUJSCNHTB-KRWDZBQOSA-N 1 1 451.954 3.950 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001313453387 1070386215 /nfs/dbraw/zinc/38/62/15/1070386215.db2.gz RFEMVQJUVNXKIP-RTWAWAEBSA-N 1 1 488.608 3.586 20 0 JHADMO COC(=O)c1cccc2c(C[N@H+]3CCN(C(=O)Cc4cccc(Cl)c4)[C@@H](C)C3)ccnc12 ZINC001308563834 1070390510 /nfs/dbraw/zinc/39/05/10/1070390510.db2.gz CWJQQLUJSCNHTB-KRWDZBQOSA-N 1 1 451.954 3.950 20 0 JHADMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308591053 1070396951 /nfs/dbraw/zinc/39/69/51/1070396951.db2.gz FJSPUGRGVXVYIZ-HXUWFJFHSA-N 1 1 455.397 3.752 20 0 JHADMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308591053 1070396965 /nfs/dbraw/zinc/39/69/65/1070396965.db2.gz FJSPUGRGVXVYIZ-HXUWFJFHSA-N 1 1 455.397 3.752 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001313459327 1070405952 /nfs/dbraw/zinc/40/59/52/1070405952.db2.gz HNCWMVNHVZZJMP-IRXDYDNUSA-N 1 1 477.028 3.963 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1CC ZINC001314494539 1070409828 /nfs/dbraw/zinc/40/98/28/1070409828.db2.gz RLRUJSKUSPZQTC-HYBUGGRVSA-N 1 1 497.606 3.963 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1CC ZINC001314494540 1070410158 /nfs/dbraw/zinc/41/01/58/1070410158.db2.gz RLRUJSKUSPZQTC-RDPSFJRHSA-N 1 1 497.606 3.963 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@@H]1CC ZINC001314494115 1070409353 /nfs/dbraw/zinc/40/93/53/1070409353.db2.gz NEBPCUDSUUNGJS-SFHVURJKSA-N 1 1 479.467 3.719 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(Br)cc2)CC1 ZINC001314495439 1070413538 /nfs/dbraw/zinc/41/35/38/1070413538.db2.gz ZBYTYLGYPUTNBL-SFHVURJKSA-N 1 1 464.452 3.955 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccccn2)C[C@H]1CC ZINC001314495516 1070413681 /nfs/dbraw/zinc/41/36/81/1070413681.db2.gz HPRAKIZMPAHFSB-JOCHJYFZSA-N 1 1 463.630 3.650 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001313461116 1070414247 /nfs/dbraw/zinc/41/42/47/1070414247.db2.gz URTBFIQXJHIBIG-NJDAHSKKSA-N 1 1 486.636 3.784 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)C[C@H]1CC ZINC001314495995 1070416191 /nfs/dbraw/zinc/41/61/91/1070416191.db2.gz DPVRNSUIJAHVLL-OAQYLSRUSA-N 1 1 468.602 3.544 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001314497143 1070419677 /nfs/dbraw/zinc/41/96/77/1070419677.db2.gz YBRJECVVSVXTSN-QHCPKHFHSA-N 1 1 463.630 3.642 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)C[C@H]1CC ZINC001314497542 1070420477 /nfs/dbraw/zinc/42/04/77/1070420477.db2.gz ARQOALHFYAZVTF-HSZRJFAPSA-N 1 1 483.636 3.573 20 0 JHADMO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1O ZINC001308701666 1070421192 /nfs/dbraw/zinc/42/11/92/1070421192.db2.gz NBIKSQVUFZGNGT-QGZVFWFLSA-N 1 1 455.299 3.722 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314497567 1070421383 /nfs/dbraw/zinc/42/13/83/1070421383.db2.gz BBQYVGBHDYIRDK-VXKWHMMOSA-N 1 1 489.734 3.609 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001314498061 1070423126 /nfs/dbraw/zinc/42/31/26/1070423126.db2.gz WBKYLIGJCROASS-MOPGFXCFSA-N 1 1 492.462 3.681 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCCO2)CC1 ZINC001314498384 1070423786 /nfs/dbraw/zinc/42/37/86/1070423786.db2.gz LROXKUZYNWEAAE-XMMPIXPASA-N 1 1 485.673 3.882 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1CC ZINC001314498620 1070424776 /nfs/dbraw/zinc/42/47/76/1070424776.db2.gz IZSYNKWNHSUOBO-NRFANRHFSA-N 1 1 486.627 3.757 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001314498765 1070425591 /nfs/dbraw/zinc/42/55/91/1070425591.db2.gz GLYOMWIYQDQTSO-UHFFFAOYSA-N 1 1 480.560 3.551 20 0 JHADMO CCOCCN1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314498963 1070426448 /nfs/dbraw/zinc/42/64/48/1070426448.db2.gz HURJGLOPHXJPQY-HSZRJFAPSA-N 1 1 482.717 3.846 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CSCCS2)C[C@@H]1CC ZINC001314499313 1070427410 /nfs/dbraw/zinc/42/74/10/1070427410.db2.gz XPFRKSPDNAUYPN-SFTDATJTSA-N 1 1 467.749 3.797 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C[C@@H]1CC ZINC001314499656 1070428069 /nfs/dbraw/zinc/42/80/69/1070428069.db2.gz CVYLEBCTCYJMLA-QHCPKHFHSA-N 1 1 494.688 3.946 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCSC2(C)C)C[C@H]1CC ZINC001314499792 1070428786 /nfs/dbraw/zinc/42/87/86/1070428786.db2.gz OIGJXVHWDLVIJB-FGZHOGPDSA-N 1 1 472.703 3.733 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC(F)(F)C2)C[C@H]1CC ZINC001314500077 1070429637 /nfs/dbraw/zinc/42/96/37/1070429637.db2.gz PXABXLCMTVUVIV-LEWJYISDSA-N 1 1 462.589 3.636 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001313465185 1070431923 /nfs/dbraw/zinc/43/19/23/1070431923.db2.gz GHMFMLRDCPKSQN-FCHUYYIVSA-N 1 1 482.673 3.961 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@H]1CC ZINC001314501863 1070434497 /nfs/dbraw/zinc/43/44/97/1070434497.db2.gz SOXSQOGPHIJPQX-VQTJNVASSA-N 1 1 476.691 3.737 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)C[C@@H]1CC ZINC001314501740 1070434585 /nfs/dbraw/zinc/43/45/85/1070434585.db2.gz SOXSQOGPHIJPQX-PMACEKPBSA-N 1 1 476.691 3.737 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001313465929 1070435324 /nfs/dbraw/zinc/43/53/24/1070435324.db2.gz QJCSCPGFUPWDFH-GMAHTHKFSA-N 1 1 474.694 3.917 20 0 JHADMO CCn1c(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nc(Br)c1Br ZINC001308777803 1070436674 /nfs/dbraw/zinc/43/66/74/1070436674.db2.gz ONKQECIQTOZSIL-NXEZZACHSA-N 1 1 454.207 3.819 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC001308779086 1070437229 /nfs/dbraw/zinc/43/72/29/1070437229.db2.gz YFGYPENAJHMTHC-SCLBCKFNSA-N 1 1 455.780 3.781 20 0 JHADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC001308779086 1070437235 /nfs/dbraw/zinc/43/72/35/1070437235.db2.gz YFGYPENAJHMTHC-SCLBCKFNSA-N 1 1 455.780 3.781 20 0 JHADMO 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ZINC001313576624 1070693491 /nfs/dbraw/zinc/69/34/91/1070693491.db2.gz YMQDXKFPQQTBRB-QHCPKHFHSA-N 1 1 452.647 3.773 20 0 JHADMO CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC001313595823 1070721636 /nfs/dbraw/zinc/72/16/36/1070721636.db2.gz SJTSSHYSVFJKBG-UHFFFAOYSA-N 1 1 464.662 3.639 20 0 JHADMO CCN(c1nnc(-c2ccccc2F)n1CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313593285 1070720455 /nfs/dbraw/zinc/72/04/55/1070720455.db2.gz SKOHIAIXPXXKDM-UXHICEINSA-N 1 1 477.650 3.752 20 0 JHADMO COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001309371865 1070730498 /nfs/dbraw/zinc/73/04/98/1070730498.db2.gz LXDUEMXRLTTXHK-UHFFFAOYSA-N 1 1 459.381 3.786 20 0 JHADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309363911 1070725202 /nfs/dbraw/zinc/72/52/02/1070725202.db2.gz ULVZDAAZEVYLQA-WBMJQRKESA-N 1 1 451.873 3.864 20 0 JHADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309363911 1070725208 /nfs/dbraw/zinc/72/52/08/1070725208.db2.gz ULVZDAAZEVYLQA-WBMJQRKESA-N 1 1 451.873 3.864 20 0 JHADMO CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1)C(C)C ZINC001313603816 1070726892 /nfs/dbraw/zinc/72/68/92/1070726892.db2.gz VCAKOJJZKKYZIW-FQEVSTJZSA-N 1 1 478.682 3.738 20 0 JHADMO 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 1070726957 /nfs/dbraw/zinc/72/69/57/1070726957.db2.gz UZZXFUWZAQFQND-YADHBBJMSA-N 1 1 492.709 3.984 20 0 JHADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C ZINC001314629779 1070728649 /nfs/dbraw/zinc/72/86/49/1070728649.db2.gz UGZSZAWOAIAYGZ-KRWDZBQOSA-N 1 1 495.466 3.510 20 0 JHADMO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001309389495 1070739976 /nfs/dbraw/zinc/73/99/76/1070739976.db2.gz BWXZFFSKHUANFA-KSZLIROESA-N 1 1 457.036 3.687 20 0 JHADMO CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313609375 1070733934 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/nfs/dbraw/zinc/80/91/53/1070809153.db2.gz FCWSHOQQIQACGZ-UHFFFAOYSA-N 1 1 486.064 3.874 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2=CCCCC2)CC1 ZINC001313646661 1070809167 /nfs/dbraw/zinc/80/91/67/1070809167.db2.gz FCWSHOQQIQACGZ-UHFFFAOYSA-N 1 1 486.064 3.874 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2Cc2cccc(CSC)c2)CC1 ZINC001313645882 1070805467 /nfs/dbraw/zinc/80/54/67/1070805467.db2.gz RTUWXOMUVGJFJE-UHFFFAOYSA-N 1 1 472.703 3.693 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2Cc2cccc(CSC)c2)CC1 ZINC001313645882 1070805498 /nfs/dbraw/zinc/80/54/98/1070805498.db2.gz RTUWXOMUVGJFJE-UHFFFAOYSA-N 1 1 472.703 3.693 20 0 JHADMO CN(CC1CC1)c1nnc(-c2cc(F)ccc2Br)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314669778 1070809582 /nfs/dbraw/zinc/80/95/82/1070809582.db2.gz LGIUDNJRHYDPET-UHFFFAOYSA-N 1 1 493.469 3.967 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670119 1070810324 /nfs/dbraw/zinc/81/03/24/1070810324.db2.gz CGWZHMMRSJDTOX-UHFFFAOYSA-N 1 1 496.700 3.654 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(CSC)c2)CC1 ZINC001313647570 1070812856 /nfs/dbraw/zinc/81/28/56/1070812856.db2.gz LTBFLYSJLYKDNC-UHFFFAOYSA-N 1 1 495.697 3.565 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(CSC)c2)CC1 ZINC001313647570 1070812888 /nfs/dbraw/zinc/81/28/88/1070812888.db2.gz LTBFLYSJLYKDNC-UHFFFAOYSA-N 1 1 495.697 3.565 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001314676507 1070820646 /nfs/dbraw/zinc/82/06/46/1070820646.db2.gz IYKHYDZYWXYRJW-FGZHOGPDSA-N 1 1 473.687 3.501 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314676665 1070822579 /nfs/dbraw/zinc/82/25/79/1070822579.db2.gz KLZMCZQTCRVEQL-DHIUTWEWSA-N 1 1 455.647 3.872 20 0 JHADMO CN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677924 1070825583 /nfs/dbraw/zinc/82/55/83/1070825583.db2.gz NIJNDVWDVNUGIP-HXUWFJFHSA-N 1 1 494.562 3.541 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313655605 1070845654 /nfs/dbraw/zinc/84/56/54/1070845654.db2.gz QRWSHTXHPMQLEL-JOCHJYFZSA-N 1 1 497.688 3.540 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313659493 1070863021 /nfs/dbraw/zinc/86/30/21/1070863021.db2.gz IHOGDRDKCITIKJ-NMVJMZGASA-N 1 1 478.689 3.928 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001313662830 1070871519 /nfs/dbraw/zinc/87/15/19/1070871519.db2.gz XHOUNVIBGYEPOI-QHCPKHFHSA-N 1 1 461.658 3.744 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001309594196 1070873923 /nfs/dbraw/zinc/87/39/23/1070873923.db2.gz WJYWYVJMFRGKKY-DENIHFKCSA-N 1 1 459.999 3.704 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001313665437 1070880319 /nfs/dbraw/zinc/88/03/19/1070880319.db2.gz DVMKBLNEYUYGRE-XZOQPEGZSA-N 1 1 454.663 3.879 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001314708082 1070880380 /nfs/dbraw/zinc/88/03/80/1070880380.db2.gz GIZMKJKJOSOWQJ-QGZVFWFLSA-N 1 1 486.020 3.636 20 0 JHADMO CCN(c1nnc(C(C)C)n1C[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001313667008 1070887100 /nfs/dbraw/zinc/88/71/00/1070887100.db2.gz ZVJDWUPSXOZOHI-MOPGFXCFSA-N 1 1 453.678 3.560 20 0 JHADMO CN(CC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001314710304 1070888826 /nfs/dbraw/zinc/88/88/26/1070888826.db2.gz RNASLUWELWCFJM-JOCHJYFZSA-N 1 1 452.647 3.907 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@H](F)C1 ZINC001314712142 1070895212 /nfs/dbraw/zinc/89/52/12/1070895212.db2.gz GEBBGJOUZLFQRC-UXHICEINSA-N 1 1 477.600 3.929 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1CC1(C)CCC1 ZINC001314712106 1070895297 /nfs/dbraw/zinc/89/52/97/1070895297.db2.gz DUYIFDPQSAJEMX-UHFFFAOYSA-N 1 1 459.610 3.981 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1CC1CCCC1 ZINC001314712440 1070897196 /nfs/dbraw/zinc/89/71/96/1070897196.db2.gz MXRAWGJEENYNGX-UHFFFAOYSA-N 1 1 459.610 3.981 20 0 JHADMO C[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001309643086 1070898180 /nfs/dbraw/zinc/89/81/80/1070898180.db2.gz CTWHSTDENITMQB-KFWWJZLASA-N 1 1 458.447 3.719 20 0 JHADMO C[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001309643086 1070898199 /nfs/dbraw/zinc/89/81/99/1070898199.db2.gz CTWHSTDENITMQB-KFWWJZLASA-N 1 1 458.447 3.719 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCCc1nccs1 ZINC001314714637 1070904007 /nfs/dbraw/zinc/90/40/07/1070904007.db2.gz VVEZHMRHBOPYSG-UHFFFAOYSA-N 1 1 454.644 3.829 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314716658 1070907049 /nfs/dbraw/zinc/90/70/49/1070907049.db2.gz DHHSGRXCAUEXCX-SFHVURJKSA-N 1 1 477.535 3.571 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001313676257 1070920698 /nfs/dbraw/zinc/92/06/98/1070920698.db2.gz YVOJQNYDHSRXDQ-FQEVSTJZSA-N 1 1 494.086 3.978 20 0 JHADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C2CCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314724253 1070925118 /nfs/dbraw/zinc/92/51/18/1070925118.db2.gz DKCYFYZOIYKACY-GOSISDBHSA-N 1 1 451.537 3.836 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314726691 1070935251 /nfs/dbraw/zinc/93/52/51/1070935251.db2.gz SSDQZCKIKGMUNE-QGZVFWFLSA-N 1 1 476.423 3.791 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2nc(C)n[nH]2)CC1 ZINC001313691749 1070952144 /nfs/dbraw/zinc/95/21/44/1070952144.db2.gz WKYDIXYMMGINQH-KRWDZBQOSA-N 1 1 470.597 3.537 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2nnc(C)[nH]2)CC1 ZINC001313691749 1070952156 /nfs/dbraw/zinc/95/21/56/1070952156.db2.gz WKYDIXYMMGINQH-KRWDZBQOSA-N 1 1 470.597 3.537 20 0 JHADMO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001313689086 1070948924 /nfs/dbraw/zinc/94/89/24/1070948924.db2.gz HAEOAEBCRHNXOT-GOSISDBHSA-N 1 1 457.623 3.698 20 0 JHADMO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313690449 1070949505 /nfs/dbraw/zinc/94/95/05/1070949505.db2.gz OWDGMUFEEJAVLV-NRFANRHFSA-N 1 1 478.682 3.596 20 0 JHADMO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314731594 1070950327 /nfs/dbraw/zinc/95/03/27/1070950327.db2.gz OSOCOPRRHNWRTL-SFHVURJKSA-N 1 1 467.083 3.897 20 0 JHADMO CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314732920 1070954192 /nfs/dbraw/zinc/95/41/92/1070954192.db2.gz LUZDBXDSBLAYEM-HXUWFJFHSA-N 1 1 460.573 3.549 20 0 JHADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767319 1070960134 /nfs/dbraw/zinc/96/01/34/1070960134.db2.gz JTKSIPHZHQEBGB-YWZLYKJASA-N 1 1 455.393 3.918 20 0 JHADMO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314736613 1070963880 /nfs/dbraw/zinc/96/38/80/1070963880.db2.gz JDTANJZVVCGXPK-GOSISDBHSA-N 1 1 451.562 3.660 20 0 JHADMO CN(Cc1ccccc1Br)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314746586 1070991709 /nfs/dbraw/zinc/99/17/09/1070991709.db2.gz NDADXTZHAUBDKQ-UHFFFAOYSA-N 1 1 487.446 3.793 20 0 JHADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC001309839484 1070992028 /nfs/dbraw/zinc/99/20/28/1070992028.db2.gz VNUKGHUVWWOHEQ-UHFFFAOYSA-N 1 1 457.621 3.770 20 0 JHADMO CN(Cc1ccccc1N1CCOCC1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001314750965 1071003511 /nfs/dbraw/zinc/00/35/11/1071003511.db2.gz OWHOBTYRWJRIQP-UHFFFAOYSA-N 1 1 452.647 3.602 20 0 JHADMO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001314755097 1071008747 /nfs/dbraw/zinc/00/87/47/1071008747.db2.gz PVXJPUINNVGQME-UHFFFAOYSA-N 1 1 471.005 3.965 20 0 JHADMO CN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314757226 1071011149 /nfs/dbraw/zinc/01/11/49/1071011149.db2.gz IBRLENGNGRFDFZ-UHFFFAOYSA-N 1 1 453.616 3.888 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001313724985 1071031613 /nfs/dbraw/zinc/03/16/13/1071031613.db2.gz CWXHYIPPFYFSQQ-VWNXMTODSA-N 1 1 454.663 3.533 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001313727993 1071038159 /nfs/dbraw/zinc/03/81/59/1071038159.db2.gz BYXPEZDSAFHHIH-IBGZPJMESA-N 1 1 461.614 3.551 20 0 JHADMO CCC[N@@H+](C)[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC001309985484 1071039732 /nfs/dbraw/zinc/03/97/32/1071039732.db2.gz ZHILMFBIZSOOBG-HXUWFJFHSA-N 1 1 453.008 3.795 20 0 JHADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001309991060 1071041375 /nfs/dbraw/zinc/04/13/75/1071041375.db2.gz KJRHJMFHXZGPKV-GBESFXJTSA-N 1 1 456.612 3.643 20 0 JHADMO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC001309993690 1071043367 /nfs/dbraw/zinc/04/33/67/1071043367.db2.gz KJFFACQMGLUKFN-CTNGQTDRSA-N 1 1 456.612 3.649 20 0 JHADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1C ZINC001309994662 1071044342 /nfs/dbraw/zinc/04/43/42/1071044342.db2.gz DUBXQFATMDQKCN-WMZOPIPTSA-N 1 1 457.040 3.851 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313730460 1071045188 /nfs/dbraw/zinc/04/51/88/1071045188.db2.gz YYRKKCPLTFSENB-GOSISDBHSA-N 1 1 495.093 3.612 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313734175 1071053539 /nfs/dbraw/zinc/05/35/39/1071053539.db2.gz MNRGWODJZDXGOV-QFIPXVFZSA-N 1 1 456.610 3.654 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccccn2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001313734078 1071053562 /nfs/dbraw/zinc/05/35/62/1071053562.db2.gz UDVMCPYLAMZSDJ-GOSISDBHSA-N 1 1 475.062 3.974 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001313734158 1071053679 /nfs/dbraw/zinc/05/36/79/1071053679.db2.gz MHMBESPUNYHPCK-CTNGQTDRSA-N 1 1 491.677 3.856 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313733605 1071051725 /nfs/dbraw/zinc/05/17/25/1071051725.db2.gz GMWCCRHYVNMDRM-DEOSSOPVSA-N 1 1 461.651 3.850 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001313734453 1071054289 /nfs/dbraw/zinc/05/42/89/1071054289.db2.gz RHWFVEGXBKJYAN-ISKFKSNPSA-N 1 1 482.673 3.631 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001313734505 1071054710 /nfs/dbraw/zinc/05/47/10/1071054710.db2.gz RQSXVBKJQDETTC-OAQYLSRUSA-N 1 1 454.663 3.937 20 0 JHADMO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC001310020748 1071065301 /nfs/dbraw/zinc/06/53/01/1071065301.db2.gz RWLBGIDFVLYCST-UHFFFAOYSA-N 1 1 453.631 3.789 20 0 JHADMO CCN(Cc1ccccc1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001313744430 1071071664 /nfs/dbraw/zinc/07/16/64/1071071664.db2.gz QRTDSQVDRFRZTD-JOCHJYFZSA-N 1 1 486.661 3.953 20 0 JHADMO CN(CC1CCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001314795308 1071073460 /nfs/dbraw/zinc/07/34/60/1071073460.db2.gz ZGWILFOIKZZMEH-FQEVSTJZSA-N 1 1 476.666 3.697 20 0 JHADMO CN(CC1CCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001314795308 1071073478 /nfs/dbraw/zinc/07/34/78/1071073478.db2.gz ZGWILFOIKZZMEH-FQEVSTJZSA-N 1 1 476.666 3.697 20 0 JHADMO COc1ccccc1CCNC(=O)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001310044431 1071081210 /nfs/dbraw/zinc/08/12/10/1071081210.db2.gz ROVWXTYLSLYSNM-UHFFFAOYSA-N 1 1 452.599 3.940 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001313750559 1071083007 /nfs/dbraw/zinc/08/30/07/1071083007.db2.gz NJJQPZCGXPWGEI-LJQANCHMSA-N 1 1 459.545 3.791 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1CCCCn1cc[nH+]c1C ZINC001313750804 1071084162 /nfs/dbraw/zinc/08/41/62/1071084162.db2.gz CPWPCVHJFIPGME-UHFFFAOYSA-N 1 1 453.982 3.739 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313755869 1071096903 /nfs/dbraw/zinc/09/69/03/1071096903.db2.gz QOUFPBGNGGZGEA-BGYRXZFFSA-N 1 1 486.064 3.782 20 0 JHADMO CN(C[C@@H]1CCOC1)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314812636 1071110638 /nfs/dbraw/zinc/11/06/38/1071110638.db2.gz BCGQKUMLRXMXFQ-UGKGYDQZSA-N 1 1 455.006 3.693 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313771647 1071122652 /nfs/dbraw/zinc/12/26/52/1071122652.db2.gz KPAWLYVAFQHYMH-ZIFCJYIRSA-N 1 1 495.466 3.540 20 0 JHADMO COc1cc(NC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1OC ZINC001310104298 1071119476 /nfs/dbraw/zinc/11/94/76/1071119476.db2.gz SFQZYLOBDBURHA-AVRWGWEMSA-N 1 1 455.555 3.610 20 0 JHADMO COc1cc(NC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1OC ZINC001310104298 1071119486 /nfs/dbraw/zinc/11/94/86/1071119486.db2.gz SFQZYLOBDBURHA-AVRWGWEMSA-N 1 1 455.555 3.610 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313772206 1071124277 /nfs/dbraw/zinc/12/42/77/1071124277.db2.gz PKYQGRWAKWFZHC-NHCUHLMSSA-N 1 1 488.652 3.589 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](CC)C1CC1 ZINC001313773087 1071126328 /nfs/dbraw/zinc/12/63/28/1071126328.db2.gz YDFRDLSOQBKIMR-SFHVURJKSA-N 1 1 465.440 3.536 20 0 JHADMO COc1cc(NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NC(C)=O ZINC001310137053 1071145592 /nfs/dbraw/zinc/14/55/92/1071145592.db2.gz XITBTQTXJXBTPU-HDICACEKSA-N 1 1 454.571 3.927 20 0 JHADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129388 1071140895 /nfs/dbraw/zinc/14/08/95/1071140895.db2.gz HYLBYVCYVNVXDX-YADARESESA-N 1 1 451.615 3.785 20 0 JHADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001310129388 1071140905 /nfs/dbraw/zinc/14/09/05/1071140905.db2.gz 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CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C ZINC001313804589 1071215826 /nfs/dbraw/zinc/21/58/26/1071215826.db2.gz CCQUBCSICQQRMQ-HNNXBMFYSA-N 1 1 499.479 3.776 20 0 JHADMO C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)C1CCCCC1 ZINC001314850777 1071217820 /nfs/dbraw/zinc/21/78/20/1071217820.db2.gz MEPHQHPDRCKXSZ-JOCHJYFZSA-N 1 1 457.667 3.623 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001313805274 1071218964 /nfs/dbraw/zinc/21/89/64/1071218964.db2.gz IXONEIFQKMYWNR-MSOLQXFVSA-N 1 1 458.676 3.563 20 0 JHADMO C[N@@H+](CCCn1c([C@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C1CCCCC1 ZINC001314851061 1071219981 /nfs/dbraw/zinc/21/99/81/1071219981.db2.gz OYNPCHSFJOTUSV-MBSDFSHPSA-N 1 1 487.611 3.966 20 0 JHADMO CN(c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001314851080 1071220663 /nfs/dbraw/zinc/22/06/63/1071220663.db2.gz SFRROTYSGSVSNH-QFIPXVFZSA-N 1 1 494.105 3.800 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001313805921 1071221949 /nfs/dbraw/zinc/22/19/49/1071221949.db2.gz PFVIAQXTUNSPJO-QFIPXVFZSA-N 1 1 467.662 3.529 20 0 JHADMO CN(CCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)CC(F)(F)F ZINC001314851579 1071222826 /nfs/dbraw/zinc/22/28/26/1071222826.db2.gz WYIOXWFSRVJLGF-NRFANRHFSA-N 1 1 498.569 3.865 20 0 JHADMO CCC[C@H]1CN(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001310230675 1071224208 /nfs/dbraw/zinc/22/42/08/1071224208.db2.gz YBUCCVJBKLJMOJ-QFIPXVFZSA-N 1 1 459.612 3.628 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1)C(C)C ZINC001313806357 1071224351 /nfs/dbraw/zinc/22/43/51/1071224351.db2.gz VAOLHXYECUHSPK-HNNXBMFYSA-N 1 1 456.454 3.972 20 0 JHADMO C[N@@H+](CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C1CCCCC1 ZINC001314852343 1071226124 /nfs/dbraw/zinc/22/61/24/1071226124.db2.gz WYMOSIASBJANDR-AREMUKBSSA-N 1 1 474.694 3.697 20 0 JHADMO 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CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313895240 1071495625 /nfs/dbraw/zinc/49/56/25/1071495625.db2.gz LOSFOFSLBGVZDM-IFMALSPDSA-N 1 1 497.688 3.735 20 0 JHADMO 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 1071496375 /nfs/dbraw/zinc/49/63/75/1071496375.db2.gz ZMUGBGVCEHTOQS-ILWGZMRPSA-N 1 1 488.702 3.695 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896043 1071498773 /nfs/dbraw/zinc/49/87/73/1071498773.db2.gz CIFWTOQTPZDRBW-NRFANRHFSA-N 1 1 454.663 3.557 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001314987306 1071498871 /nfs/dbraw/zinc/49/88/71/1071498871.db2.gz XQCPUTGFFVHLRG-GGPKGHCWSA-N 1 1 458.676 3.683 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001314987311 1071498957 /nfs/dbraw/zinc/49/89/57/1071498957.db2.gz XQCPUTGFFVHLRG-NSHGMRRFSA-N 1 1 458.676 3.683 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896862 1071500469 /nfs/dbraw/zinc/50/04/69/1071500469.db2.gz RXDBOZJXJZXLFG-HKUYNNGSSA-N 1 1 458.676 3.578 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313896633 1071500488 /nfs/dbraw/zinc/50/04/88/1071500488.db2.gz PGTHEENDGWAIFO-CTNGQTDRSA-N 1 1 457.619 3.698 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001313897058 1071501237 /nfs/dbraw/zinc/50/12/37/1071501237.db2.gz UFMJVKLTPXPVPZ-TZIWHRDSSA-N 1 1 460.667 3.798 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313897576 1071502767 /nfs/dbraw/zinc/50/27/67/1071502767.db2.gz YXWLDVXIGFUTEB-YJBOKZPZSA-N 1 1 465.429 3.793 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001313900125 1071508460 /nfs/dbraw/zinc/50/84/60/1071508460.db2.gz MZYMAGQDWHOWPP-RTWAWAEBSA-N 1 1 453.635 3.519 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313897979 1071504169 /nfs/dbraw/zinc/50/41/69/1071504169.db2.gz ZOHZNNJHQACLTL-IEBWSBKVSA-N 1 1 451.537 3.998 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313898783 1071505731 /nfs/dbraw/zinc/50/57/31/1071505731.db2.gz DUDAJBJAPPEKSV-HMXCVIKNSA-N 1 1 460.667 3.845 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001313900049 1071508793 /nfs/dbraw/zinc/50/87/93/1071508793.db2.gz YTVWQUNVKMBTIH-HSZRJFAPSA-N 1 1 452.647 3.727 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001313900124 1071508822 /nfs/dbraw/zinc/50/88/22/1071508822.db2.gz MZYMAGQDWHOWPP-NHCUHLMSSA-N 1 1 453.635 3.519 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001313898980 1071506548 /nfs/dbraw/zinc/50/65/48/1071506548.db2.gz FMHYNUWSXJYHTB-PWRODBHTSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313899193 1071507324 /nfs/dbraw/zinc/50/73/24/1071507324.db2.gz GTTGRGXQMZAGLZ-BJKOFHAPSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313899638 1071507834 /nfs/dbraw/zinc/50/78/34/1071507834.db2.gz WUIJELMEIDYZCW-HBMCJLEFSA-N 1 1 476.666 3.555 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313900483 1071509626 /nfs/dbraw/zinc/50/96/26/1071509626.db2.gz OSVKTHMITQFKDF-HXUWFJFHSA-N 1 1 456.635 3.651 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001313900599 1071509687 /nfs/dbraw/zinc/50/96/87/1071509687.db2.gz QKLIEKWXYMGHAY-HBMCJLEFSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313901785 1071512292 /nfs/dbraw/zinc/51/22/92/1071512292.db2.gz GVQAJNOHRRHIHI-IBGZPJMESA-N 1 1 489.462 3.544 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314995863 1071513022 /nfs/dbraw/zinc/51/30/22/1071513022.db2.gz CEUIDOIZIUOCBW-UNMCSNQZSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001313902581 1071513043 /nfs/dbraw/zinc/51/30/43/1071513043.db2.gz GQRTUOBXIVEQSD-RBBKRZOGSA-N 1 1 451.619 3.830 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 ZINC001313904200 1071517387 /nfs/dbraw/zinc/51/73/87/1071517387.db2.gz QFKMTGBABBATGZ-FPOVZHCZSA-N 1 1 462.038 3.961 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313904443 1071517407 /nfs/dbraw/zinc/51/74/07/1071517407.db2.gz HTRRUNWRGQXPET-KRWDZBQOSA-N 1 1 463.001 3.817 20 0 JHADMO 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 ZINC001313904979 1071520325 /nfs/dbraw/zinc/52/03/25/1071520325.db2.gz KKVRBFHBGIIGRC-UJMXGEILSA-N 1 1 478.707 3.863 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313904527 1071518106 /nfs/dbraw/zinc/51/81/06/1071518106.db2.gz IYSOVNBKOFTOTM-NNPDTBDGSA-N 1 1 489.064 3.908 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313904538 1071518589 /nfs/dbraw/zinc/51/85/89/1071518589.db2.gz QQNQBJPQBRZSRS-QZTJIDSGSA-N 1 1 484.542 3.553 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313906547 1071524284 /nfs/dbraw/zinc/52/42/84/1071524284.db2.gz XQAGCGMOWCKXNY-FDFHNCONSA-N 1 1 468.646 3.611 20 0 JHADMO 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 ZINC001313904982 1071520639 /nfs/dbraw/zinc/52/06/39/1071520639.db2.gz KKVRBFHBGIIGRC-WKWVNEEDSA-N 1 1 478.707 3.863 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313905599 1071522039 /nfs/dbraw/zinc/52/20/39/1071522039.db2.gz VZZRTNABYBDDDS-ISKFKSNPSA-N 1 1 471.646 3.588 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906846 1071525752 /nfs/dbraw/zinc/52/57/52/1071525752.db2.gz SAJHYRPMPFYSGY-LJQANCHMSA-N 1 1 469.634 3.584 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313905938 1071522878 /nfs/dbraw/zinc/52/28/78/1071522878.db2.gz WETKABXWTAVOQB-CTNGQTDRSA-N 1 1 469.630 3.638 20 0 JHADMO 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 1071526500 /nfs/dbraw/zinc/52/65/00/1071526500.db2.gz YCXCUILXKFIPHR-HAGHYFMRSA-N 1 1 476.666 3.537 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001313907207 1071526852 /nfs/dbraw/zinc/52/68/52/1071526852.db2.gz ACGWHTXNLDYHGH-HXUWFJFHSA-N 1 1 489.064 3.786 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313908654 1071530969 /nfs/dbraw/zinc/53/09/69/1071530969.db2.gz ALBMTPWRXUEOOQ-LJQANCHMSA-N 1 1 488.627 3.716 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313907313 1071527281 /nfs/dbraw/zinc/52/72/81/1071527281.db2.gz BRRLYADSDLVUGV-DLBZAZTESA-N 1 1 498.981 3.978 20 0 JHADMO CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@H+]2CC)cn1 ZINC001313908082 1071528723 /nfs/dbraw/zinc/52/87/23/1071528723.db2.gz LUDPHXHLGFLDIN-NRFANRHFSA-N 1 1 467.618 3.690 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313908007 1071528962 /nfs/dbraw/zinc/52/89/62/1071528962.db2.gz GAANQYNASLLQDQ-FQEVSTJZSA-N 1 1 456.038 3.961 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 ZINC001313909723 1071531746 /nfs/dbraw/zinc/53/17/46/1071531746.db2.gz CLNNUDMWNBDHKX-JOCHJYFZSA-N 1 1 450.635 3.958 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313909318 1071532531 /nfs/dbraw/zinc/53/25/31/1071532531.db2.gz RPOZNKDMRIENNO-SFHVURJKSA-N 1 1 480.078 3.876 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313910720 1071536529 /nfs/dbraw/zinc/53/65/29/1071536529.db2.gz ZCVBJXNKKDQGTE-NRFANRHFSA-N 1 1 457.667 3.798 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001313910039 1071533901 /nfs/dbraw/zinc/53/39/01/1071533901.db2.gz UNFZZMQZIKRWPC-LEWJYISDSA-N 1 1 491.727 3.945 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313909848 1071533943 /nfs/dbraw/zinc/53/39/43/1071533943.db2.gz SGKFSUDEFPKCDD-SFHVURJKSA-N 1 1 496.607 3.897 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313910525 1071534603 /nfs/dbraw/zinc/53/46/03/1071534603.db2.gz VXBZONAGTAWFJH-KRWDZBQOSA-N 1 1 491.999 3.820 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001315018326 1071538727 /nfs/dbraw/zinc/53/87/27/1071538727.db2.gz ZEJKUOXYFLNCNU-HXUWFJFHSA-N 1 1 461.054 3.884 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001315024242 1071546899 /nfs/dbraw/zinc/54/68/99/1071546899.db2.gz OJPLTTWUNURRDW-UHFFFAOYSA-N 1 1 489.668 3.505 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 ZINC001313914831 1071548737 /nfs/dbraw/zinc/54/87/37/1071548737.db2.gz OEVUKDKKYOFYGI-ICSRJNTNSA-N 1 1 478.435 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 ZINC001313914863 1071548766 /nfs/dbraw/zinc/54/87/66/1071548766.db2.gz OMCOOXXBWUSYQF-YADHBBJMSA-N 1 1 498.676 3.693 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915576 1071550919 /nfs/dbraw/zinc/55/09/19/1071550919.db2.gz YIXWMINEGRHLEN-BHDDXSALSA-N 1 1 490.693 3.740 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001315026283 1071551386 /nfs/dbraw/zinc/55/13/86/1071551386.db2.gz XCFDDTWOAULYKY-UNMCSNQZSA-N 1 1 454.663 3.839 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915812 1071551416 /nfs/dbraw/zinc/55/14/16/1071551416.db2.gz SWSSBFDKWODIFJ-YYDVJCTNSA-N 1 1 455.594 3.675 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313915795 1071551561 /nfs/dbraw/zinc/55/15/61/1071551561.db2.gz SRWFVWIYFOOQGU-VQTJNVASSA-N 1 1 487.670 3.843 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001315027390 1071553913 /nfs/dbraw/zinc/55/39/13/1071553913.db2.gz QMDCRFCIDQWGAB-ZWKOTPCHSA-N 1 1 477.053 3.690 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920551 1071559591 /nfs/dbraw/zinc/55/95/91/1071559591.db2.gz KSEASMYSMDKVMH-GOSISDBHSA-N 1 1 487.446 3.963 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919379 1071557076 /nfs/dbraw/zinc/55/70/76/1071557076.db2.gz AKFCNJMGTPOGQG-MOPGFXCFSA-N 1 1 492.510 3.699 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001313919830 1071558188 /nfs/dbraw/zinc/55/81/88/1071558188.db2.gz GONNRWHCWNAIFS-INIZCTEOSA-N 1 1 469.497 3.888 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922455 1071564440 /nfs/dbraw/zinc/56/44/40/1071564440.db2.gz WPSNGPYZHGRCMY-HXUWFJFHSA-N 1 1 456.704 3.822 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922512 1071564547 /nfs/dbraw/zinc/56/45/47/1071564547.db2.gz WWEINVAHTKVGRZ-IBGZPJMESA-N 1 1 454.594 3.691 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001315034704 1071566912 /nfs/dbraw/zinc/56/69/12/1071566912.db2.gz KAHSFSRTRMBAIM-JPYJTQIMSA-N 1 1 482.654 3.671 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924074 1071568864 /nfs/dbraw/zinc/56/88/64/1071568864.db2.gz YDTLWZSSYHHSLQ-SFTDATJTSA-N 1 1 483.661 3.582 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C2CCC2)CC1 ZINC001313924273 1071569465 /nfs/dbraw/zinc/56/94/65/1071569465.db2.gz DBMWOXIZDQZVAT-HXUWFJFHSA-N 1 1 470.662 3.756 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927622 1071580565 /nfs/dbraw/zinc/58/05/65/1071580565.db2.gz KSHJRSMNZIVUJK-OFNKIYASSA-N 1 1 475.081 3.734 20 0 JHADMO CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929260 1071586587 /nfs/dbraw/zinc/58/65/87/1071586587.db2.gz FVQNHCDLCSFTDA-UXHICEINSA-N 1 1 491.080 3.713 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313929580 1071586642 /nfs/dbraw/zinc/58/66/42/1071586642.db2.gz SMZRASHLULJLRJ-OAQYLSRUSA-N 1 1 481.689 3.628 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313928632 1071584581 /nfs/dbraw/zinc/58/45/81/1071584581.db2.gz CBXBKGTTZOSEIY-PMACEKPBSA-N 1 1 475.609 3.673 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)C1 ZINC001315077429 1071588360 /nfs/dbraw/zinc/58/83/60/1071588360.db2.gz IUOWNQGCXLLRCX-QZTJIDSGSA-N 1 1 459.660 3.861 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930245 1071588908 /nfs/dbraw/zinc/58/89/08/1071588908.db2.gz AOVGJRGCJZBCAU-GHTZIAJQSA-N 1 1 492.510 3.697 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591144 /nfs/dbraw/zinc/59/11/44/1071591144.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591150 /nfs/dbraw/zinc/59/11/50/1071591150.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594254 /nfs/dbraw/zinc/59/42/54/1071594254.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 1 1 478.483 3.687 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594261 /nfs/dbraw/zinc/59/42/61/1071594261.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 1 1 478.483 3.687 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313933829 1071599675 /nfs/dbraw/zinc/59/96/75/1071599675.db2.gz MAPPXUXFHGFFNN-IBGZPJMESA-N 1 1 498.031 3.805 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCC(OC)CC2)C[C@@H]1C ZINC001313934866 1071603602 /nfs/dbraw/zinc/60/36/02/1071603602.db2.gz UUDJGJRHDDVFPO-ZJOBEGKPSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313934754 1071603626 /nfs/dbraw/zinc/60/36/26/1071603626.db2.gz VMFDRMMZMTXCTG-HXUWFJFHSA-N 1 1 475.703 3.988 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600374 /nfs/dbraw/zinc/60/03/74/1071600374.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 1 1 479.467 3.587 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600378 /nfs/dbraw/zinc/60/03/78/1071600378.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 1 1 479.467 3.587 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001313934113 1071600969 /nfs/dbraw/zinc/60/09/69/1071600969.db2.gz OLYDBCFDQLBRBJ-KBMIEXCESA-N 1 1 482.654 3.647 20 0 JHADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001313934198 1071601063 /nfs/dbraw/zinc/60/10/63/1071601063.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 1 1 461.452 3.722 20 0 JHADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001313934198 1071601069 /nfs/dbraw/zinc/60/10/69/1071601069.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 1 1 461.452 3.722 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313934239 1071601699 /nfs/dbraw/zinc/60/16/99/1071601699.db2.gz QSIBLCJBRCSAHD-HOTGVXAUSA-N 1 1 466.399 3.804 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313934640 1071602283 /nfs/dbraw/zinc/60/22/83/1071602283.db2.gz UNCJKSFKKGTKGF-NSHDSACASA-N 1 1 468.450 3.508 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934722 1071602919 /nfs/dbraw/zinc/60/29/19/1071602919.db2.gz VCVCCTUTSYJMJP-XMSQKQJNSA-N 1 1 452.603 3.688 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934988 1071604338 /nfs/dbraw/zinc/60/43/38/1071604338.db2.gz UKJKECHEHKZOTF-YKSBVNFPSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC001313935223 1071605380 /nfs/dbraw/zinc/60/53/80/1071605380.db2.gz GAXOAZFFIPYWHY-AEFFLSMTSA-N 1 1 478.435 3.816 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607117 /nfs/dbraw/zinc/60/71/17/1071607117.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 1 1 454.663 3.996 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607122 /nfs/dbraw/zinc/60/71/22/1071607122.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 1 1 454.663 3.996 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313937227 1071610268 /nfs/dbraw/zinc/61/02/68/1071610268.db2.gz DJNIJQQIQQMFTJ-KRWDZBQOSA-N 1 1 456.566 3.966 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001313937094 1071610299 /nfs/dbraw/zinc/61/02/99/1071610299.db2.gz SFVQKULRXLAFOP-DLBZAZTESA-N 1 1 456.616 3.753 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@@H]1C ZINC001313937390 1071610876 /nfs/dbraw/zinc/61/08/76/1071610876.db2.gz MBBWRLTXJKZHRV-GMAHTHKFSA-N 1 1 498.672 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313938695 1071612170 /nfs/dbraw/zinc/61/21/70/1071612170.db2.gz WQFOKUZUFSMHFP-QGZVFWFLSA-N 1 1 489.690 3.736 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313938987 1071612714 /nfs/dbraw/zinc/61/27/14/1071612714.db2.gz ZFVMEMSKXRUZIS-OXJNMPFZSA-N 1 1 451.974 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313938716 1071612745 /nfs/dbraw/zinc/61/27/45/1071612745.db2.gz WYLYMDXULZCITE-HUUCEWRRSA-N 1 1 454.438 3.575 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001313940013 1071614129 /nfs/dbraw/zinc/61/41/29/1071614129.db2.gz JQAWUGFAJZFDKG-CPJSRVTESA-N 1 1 492.064 3.587 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313941497 1071617460 /nfs/dbraw/zinc/61/74/60/1071617460.db2.gz VMQMPWOZSIHDTA-ZWKOTPCHSA-N 1 1 470.643 3.640 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001313941505 1071617509 /nfs/dbraw/zinc/61/75/09/1071617509.db2.gz VSNDLSNJAHHAOH-SFHVURJKSA-N 1 1 486.567 3.647 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001313942011 1071618876 /nfs/dbraw/zinc/61/88/76/1071618876.db2.gz GPEHOJWKSBBWST-CQSZACIVSA-N 1 1 498.600 3.929 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943141 1071621933 /nfs/dbraw/zinc/62/19/33/1071621933.db2.gz OXMSLMFTMWEETF-LJQANCHMSA-N 1 1 461.054 3.502 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Sc2ccccc2)C[C@@H]1C ZINC001313943066 1071621980 /nfs/dbraw/zinc/62/19/80/1071621980.db2.gz PDHIQQCMKYALEP-LEWJYISDSA-N 1 1 453.660 3.851 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313945689 1071626696 /nfs/dbraw/zinc/62/66/96/1071626696.db2.gz TWHHXBRJSOMZJR-JTHBVZDNSA-N 1 1 454.663 3.531 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)CC1 ZINC001313945636 1071626740 /nfs/dbraw/zinc/62/67/40/1071626740.db2.gz RZFWINMKSMFZNA-QGZVFWFLSA-N 1 1 486.970 3.583 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001313943285 1071622629 /nfs/dbraw/zinc/62/26/29/1071622629.db2.gz RFOAOSWCTIPXME-FPYOTAMTSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001313943285 1071622630 /nfs/dbraw/zinc/62/26/30/1071622630.db2.gz RFOAOSWCTIPXME-FPYOTAMTSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCOC(C)C)C[C@H]1C ZINC001313943462 1071623349 /nfs/dbraw/zinc/62/33/49/1071623349.db2.gz SQZYJBAAHJPWKG-OAQYLSRUSA-N 1 1 451.619 3.866 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001313945951 1071627993 /nfs/dbraw/zinc/62/79/93/1071627993.db2.gz MAYZDCGBMCRDBK-HNNXBMFYSA-N 1 1 460.598 3.994 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313945974 1071628054 /nfs/dbraw/zinc/62/80/54/1071628054.db2.gz MSOOPMGNELCZBL-CQSZACIVSA-N 1 1 499.944 3.992 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)CC1 ZINC001313945471 1071626166 /nfs/dbraw/zinc/62/61/66/1071626166.db2.gz POBCCOKCOOENKS-GOSISDBHSA-N 1 1 479.442 3.719 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313946570 1071629304 /nfs/dbraw/zinc/62/93/04/1071629304.db2.gz BLFUUDQTJPNXOW-UPVQGACJSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC001313946816 1071629760 /nfs/dbraw/zinc/62/97/60/1071629760.db2.gz CMHCYFURLVQFGJ-NMMYMHLASA-N 1 1 459.610 3.978 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313946869 1071630576 /nfs/dbraw/zinc/63/05/76/1071630576.db2.gz DLRQTOXTGBHYIP-HXUWFJFHSA-N 1 1 481.645 3.605 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633841 /nfs/dbraw/zinc/63/38/41/1071633841.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 1 1 470.662 3.661 20 0 JHADMO CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633847 /nfs/dbraw/zinc/63/38/47/1071633847.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 1 1 470.662 3.661 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633858 /nfs/dbraw/zinc/63/38/58/1071633858.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 1 1 470.662 3.661 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633864 /nfs/dbraw/zinc/63/38/64/1071633864.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 1 1 470.662 3.661 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001313947500 1071632219 /nfs/dbraw/zinc/63/22/19/1071632219.db2.gz HVMSQDXDZXONNM-AABGKKOBSA-N 1 1 459.660 3.925 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950663 1071639418 /nfs/dbraw/zinc/63/94/18/1071639418.db2.gz BUFKIKOQXBYWTB-AUSIDOKSSA-N 1 1 490.643 3.705 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313949005 1071635269 /nfs/dbraw/zinc/63/52/69/1071635269.db2.gz OAIPAYZPNLXQES-SFHVURJKSA-N 1 1 470.021 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313950171 1071637506 /nfs/dbraw/zinc/63/75/06/1071637506.db2.gz NSQRGHDYMZQOAI-GOSISDBHSA-N 1 1 462.042 3.578 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313951139 1071641096 /nfs/dbraw/zinc/64/10/96/1071641096.db2.gz ZYVXWFCQIMGLGQ-NRFANRHFSA-N 1 1 470.662 3.661 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313951994 1071643670 /nfs/dbraw/zinc/64/36/70/1071643670.db2.gz CKIKDHXPTGAOHA-IBGZPJMESA-N 1 1 479.595 3.783 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952593 1071646471 /nfs/dbraw/zinc/64/64/71/1071646471.db2.gz RYMQKOYTXYLPEY-SELNLUPBSA-N 1 1 476.616 3.879 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCO[C@H](c4ccccc4C)C3)nnc2C(C)(C)C)CC1 ZINC001313953492 1071648947 /nfs/dbraw/zinc/64/89/47/1071648947.db2.gz GWTBBRCYPIMGBK-DEOSSOPVSA-N 1 1 468.690 3.880 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955089 1071654202 /nfs/dbraw/zinc/65/42/02/1071654202.db2.gz FFGXHXSDHRFONG-HSZRJFAPSA-N 1 1 454.663 3.554 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955453 1071655401 /nfs/dbraw/zinc/65/54/01/1071655401.db2.gz HQIVOTQIJXFYHF-VWRAKTAISA-N 1 1 477.072 3.980 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313955555 1071656248 /nfs/dbraw/zinc/65/62/48/1071656248.db2.gz SPBNBFRFTDJETG-OAQYLSRUSA-N 1 1 482.652 3.506 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313956998 1071658866 /nfs/dbraw/zinc/65/88/66/1071658866.db2.gz AQCWXVKUAFLOPD-UHFFFAOYSA-N 1 1 478.563 3.680 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957260 1071659522 /nfs/dbraw/zinc/65/95/22/1071659522.db2.gz QCJIZCJSYSMEKL-DENIHFKCSA-N 1 1 484.718 3.672 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957911 1071661799 /nfs/dbraw/zinc/66/17/99/1071661799.db2.gz SALCCVMVKCKIPA-RPWUZVMVSA-N 1 1 498.716 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313956236 1071657374 /nfs/dbraw/zinc/65/73/74/1071657374.db2.gz XXWAMKUNPMBXIL-OFNKIYASSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958924 1071665045 /nfs/dbraw/zinc/66/50/45/1071665045.db2.gz YVKWRMLIGBOFMX-RJGXRXQPSA-N 1 1 486.730 3.769 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313958865 1071665088 /nfs/dbraw/zinc/66/50/88/1071665088.db2.gz XGOYQEGWBXAXOI-JOCHJYFZSA-N 1 1 454.663 3.854 20 0 JHADMO 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CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001306310964 1068729502 /nfs/dbraw/zinc/72/95/02/1068729502.db2.gz DPCNGJIOYAVKGN-NRFANRHFSA-N 1 1 460.573 3.693 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)OC ZINC001306315961 1068735189 /nfs/dbraw/zinc/73/51/89/1068735189.db2.gz BUQBFUFADXMEGG-OAHLLOKOSA-N 1 1 452.397 3.978 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001306317262 1068737360 /nfs/dbraw/zinc/73/73/60/1068737360.db2.gz IPTIRLKGXWMNPV-OAQYLSRUSA-N 1 1 498.672 3.737 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306318339 1068741303 /nfs/dbraw/zinc/74/13/03/1068741303.db2.gz FVLFWGXAAYDWNZ-FGZHOGPDSA-N 1 1 459.660 3.613 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306318638 1068742673 /nfs/dbraw/zinc/74/26/73/1068742673.db2.gz HLQXSRTWTCVHEL-OAQYLSRUSA-N 1 1 498.672 3.531 20 0 JHADMO 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CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001306321198 1068751558 /nfs/dbraw/zinc/75/15/58/1068751558.db2.gz ZUAZTDVTYNHJOI-WXFUMESZSA-N 1 1 496.700 3.886 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001306321848 1068752415 /nfs/dbraw/zinc/75/24/15/1068752415.db2.gz DXCZNIIXWIRLKL-NRFANRHFSA-N 1 1 485.702 3.605 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC ZINC001306322304 1068752903 /nfs/dbraw/zinc/75/29/03/1068752903.db2.gz JGPUPJKMGUXFIF-IBGZPJMESA-N 1 1 472.659 3.562 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccc(F)cc1 ZINC001306322704 1068754718 /nfs/dbraw/zinc/75/47/18/1068754718.db2.gz IULKEBCJYBZYRT-QFIPXVFZSA-N 1 1 456.610 3.831 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001306323064 1068755680 /nfs/dbraw/zinc/75/56/80/1068755680.db2.gz JVRRFAQXFGUARZ-QFIPXVFZSA-N 1 1 468.646 3.618 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001306323088 1068756061 /nfs/dbraw/zinc/75/60/61/1068756061.db2.gz KIHALDSVCVRPNL-JOCHJYFZSA-N 1 1 470.637 3.942 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306323186 1068756665 /nfs/dbraw/zinc/75/66/65/1068756665.db2.gz KAJAVDWXIDYHAA-HSZRJFAPSA-N 1 1 483.657 3.726 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001306324014 1068758438 /nfs/dbraw/zinc/75/84/38/1068758438.db2.gz MRMWKIZJXRASKO-QHCPKHFHSA-N 1 1 484.664 3.967 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306325230 1068761736 /nfs/dbraw/zinc/76/17/36/1068761736.db2.gz SZDDGASCYSOBDY-DHIUTWEWSA-N 1 1 497.688 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 ZINC001306326292 1068763743 /nfs/dbraw/zinc/76/37/43/1068763743.db2.gz YFGPHWQFBORPGX-FQEVSTJZSA-N 1 1 455.582 3.631 20 0 JHADMO 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CCOC(=O)c1nc2ccccn2c1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001310905637 1069217513 /nfs/dbraw/zinc/21/75/13/1069217513.db2.gz UPHLRLOZYHQWFZ-UHFFFAOYSA-N 1 1 455.946 3.904 20 0 JHADMO CCOC(=O)c1nc2ccccn2c1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001310905637 1069217524 /nfs/dbraw/zinc/21/75/24/1069217524.db2.gz UPHLRLOZYHQWFZ-UHFFFAOYSA-N 1 1 455.946 3.904 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001306556563 1069224932 /nfs/dbraw/zinc/22/49/32/1069224932.db2.gz TWKXTXIZQRUPDV-LADGPHEKSA-N 1 1 482.673 3.678 20 0 JHADMO 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 1069226609 /nfs/dbraw/zinc/22/66/09/1069226609.db2.gz CRHKHPMSORRRDY-OVQGTLEDSA-N 1 1 457.537 3.937 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935868 1069227018 /nfs/dbraw/zinc/22/70/18/1069227018.db2.gz IJTPVZUAXPQEBA-ROUUACIJSA-N 1 1 458.525 3.652 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306557792 1069227176 /nfs/dbraw/zinc/22/71/76/1069227176.db2.gz WSYAEIYJJAPFTF-RTWAWAEBSA-N 1 1 452.647 3.833 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306557791 1069227230 /nfs/dbraw/zinc/22/72/30/1069227230.db2.gz WSYAEIYJJAPFTF-NHCUHLMSSA-N 1 1 452.647 3.833 20 0 JHADMO 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 1069228604 /nfs/dbraw/zinc/22/86/04/1069228604.db2.gz TVHNZVXGQXRFBJ-KBAYOESNSA-N 1 1 458.525 3.794 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001306558947 1069228981 /nfs/dbraw/zinc/22/89/81/1069228981.db2.gz JSRBARVJGJYRHW-UGKGYDQZSA-N 1 1 451.623 3.668 20 0 JHADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306558892 1069229184 /nfs/dbraw/zinc/22/91/84/1069229184.db2.gz IUUFALXEQBQNOH-IFMALSPDSA-N 1 1 471.646 3.946 20 0 JHADMO 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CCC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001306619791 1069305246 /nfs/dbraw/zinc/30/52/46/1069305246.db2.gz ZRPBLMNZLGJQRS-HXUWFJFHSA-N 1 1 494.478 3.806 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001306620134 1069305962 /nfs/dbraw/zinc/30/59/62/1069305962.db2.gz FBLNBDPKCUOWJP-NRFANRHFSA-N 1 1 469.659 3.593 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CC[N@H+]1CCOC ZINC001306620423 1069306917 /nfs/dbraw/zinc/30/69/17/1069306917.db2.gz GMTYMGSUIDSKMF-RLWLMLJZSA-N 1 1 499.059 3.838 20 0 JHADMO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)Nc3cc[nH+]c(N4CCCCC4)c3)cc2)C[C@@H](C)O1 ZINC001311246559 1069307231 /nfs/dbraw/zinc/30/72/31/1069307231.db2.gz PGAGEBRJABRCOW-RTBURBONSA-N 1 1 451.571 3.643 20 0 JHADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009813561 562956973 /nfs/dbraw/zinc/95/69/73/562956973.db2.gz WAZRPERGPZYANZ-FQEVSTJZSA-N 1 1 466.003 3.675 20 0 JHADMO 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CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)[C@H]2C ZINC001164860628 720940737 /nfs/dbraw/zinc/94/07/37/720940737.db2.gz QOZVJUVJVOVPMC-JTQLQIEISA-N 1 1 455.781 3.998 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856228 720960659 /nfs/dbraw/zinc/96/06/59/720960659.db2.gz CZFOJGKLWNIJOZ-CYBMUJFWSA-N 1 1 453.012 3.647 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4CCn5c(C[N@@H+](C)C(C)C)cnc5[C@@H]4C)ccc-3c2=O)cc1 ZINC001164864115 720996387 /nfs/dbraw/zinc/99/63/87/720996387.db2.gz XNPBEHRIYCMKEH-IBGZPJMESA-N 1 1 474.609 3.864 20 0 JHADMO c1cncc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@H]3COC[C@H]32)c1 ZINC001164759338 721008550 /nfs/dbraw/zinc/00/85/50/721008550.db2.gz LJIABAWKPVPGBW-BHIFYINESA-N 1 1 491.661 3.981 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)[C@H]2C ZINC001164857386 721013451 /nfs/dbraw/zinc/01/34/51/721013451.db2.gz DLUBUQOLVKWVGP-FQEVSTJZSA-N 1 1 461.614 3.598 20 0 JHADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164758328 721013548 /nfs/dbraw/zinc/01/35/48/721013548.db2.gz IDZWSQSLWWSSRB-RTVRTQBESA-N 1 1 497.643 3.677 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164774223 721054381 /nfs/dbraw/zinc/05/43/81/721054381.db2.gz VNXPNTKCXJIORF-LEWJYISDSA-N 1 1 476.650 3.987 20 0 JHADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867068 721065074 /nfs/dbraw/zinc/06/50/74/721065074.db2.gz HJTMYFHNRYCUCR-GJZGRUSLSA-N 1 1 451.930 3.764 20 0 JHADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870863 721068485 /nfs/dbraw/zinc/06/84/85/721068485.db2.gz WXIGCQPWCFECLG-VXKWHMMOSA-N 1 1 477.012 3.521 20 0 JHADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870865 721069049 /nfs/dbraw/zinc/06/90/49/721069049.db2.gz WXIGCQPWCFECLG-YADHBBJMSA-N 1 1 477.012 3.521 20 0 JHADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164880409 721145323 /nfs/dbraw/zinc/14/53/23/721145323.db2.gz WFXVWDUHZYJPDL-RPBOFIJWSA-N 1 1 468.605 3.971 20 0 JHADMO c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3)n2)c1 ZINC001164881201 721167139 /nfs/dbraw/zinc/16/71/39/721167139.db2.gz ZUPQVORAJKDBGA-VQTJNVASSA-N 1 1 460.563 3.735 20 0 JHADMO c1ccc(C[N@H+]2CCc3nc(N4CCC5(CC4)CN(c4ccccn4)CCO5)ccc3C2)cc1 ZINC001164875982 721217968 /nfs/dbraw/zinc/21/79/68/721217968.db2.gz YWRMNILVDHVDBB-UHFFFAOYSA-N 1 1 455.606 3.911 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164763209 721241727 /nfs/dbraw/zinc/24/17/27/721241727.db2.gz MTJVZRMDGHWDHS-ROUUACIJSA-N 1 1 454.962 3.623 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879754 721259811 /nfs/dbraw/zinc/25/98/11/721259811.db2.gz YNLKHLCHDKIAGB-SQHAQQRYSA-N 1 1 464.610 3.503 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)CC2)C1 ZINC001164876630 721289059 /nfs/dbraw/zinc/28/90/59/721289059.db2.gz KJGRNICPQJSSLQ-UHFFFAOYSA-N 1 1 491.661 3.879 20 0 JHADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C)C1=O ZINC001164776104 721321224 /nfs/dbraw/zinc/32/12/24/721321224.db2.gz CDONSERQSXKDPL-CRICUBBOSA-N 1 1 453.656 3.861 20 0 JHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C)C1=O ZINC001164776106 721321379 /nfs/dbraw/zinc/32/13/79/721321379.db2.gz CDONSERQSXKDPL-NSYGIPOTSA-N 1 1 453.656 3.861 20 0 JHADMO O=C(c1cscn1)N1CCC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164876318 721328467 /nfs/dbraw/zinc/32/84/67/721328467.db2.gz OAFQGVGFYKZCGD-UHFFFAOYSA-N 1 1 474.634 3.624 20 0 JHADMO O=C(c1cscn1)N1CCC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164876318 721328472 /nfs/dbraw/zinc/32/84/72/721328472.db2.gz OAFQGVGFYKZCGD-UHFFFAOYSA-N 1 1 474.634 3.624 20 0 JHADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164882521 721348842 /nfs/dbraw/zinc/34/88/42/721348842.db2.gz FSQVXIVGDUHODL-VPUSJEBWSA-N 1 1 468.601 3.617 20 0 JHADMO Cc1nc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777843 721353169 /nfs/dbraw/zinc/35/31/69/721353169.db2.gz IUBYMAYVKOTLTD-OAQYLSRUSA-N 1 1 463.007 3.772 20 0 JHADMO COC(=O)c1cc2ccccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784171 721367894 /nfs/dbraw/zinc/36/78/94/721367894.db2.gz QNXHODLBUGMQIE-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164782275 721369728 /nfs/dbraw/zinc/36/97/28/721369728.db2.gz MDTZYCIXKLYUFV-HHHXNRCGSA-N 1 1 493.608 3.885 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164782275 721369732 /nfs/dbraw/zinc/36/97/32/721369732.db2.gz MDTZYCIXKLYUFV-HHHXNRCGSA-N 1 1 493.608 3.885 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1 ZINC001164786079 721370449 /nfs/dbraw/zinc/37/04/49/721370449.db2.gz WBLBTBABKPQUDB-RUZDIDTESA-N 1 1 454.619 3.581 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(N4CCCCCC4)n3)C2)C1 ZINC001164786079 721370450 /nfs/dbraw/zinc/37/04/50/721370450.db2.gz WBLBTBABKPQUDB-RUZDIDTESA-N 1 1 454.619 3.581 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)C1 ZINC001164786125 721370526 /nfs/dbraw/zinc/37/05/26/721370526.db2.gz WKDDDWZFATYLBJ-HHHXNRCGSA-N 1 1 474.609 3.751 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(CCCCN4S(C)(=O)=O)C3)c2c1C ZINC001164892928 721376748 /nfs/dbraw/zinc/37/67/48/721376748.db2.gz UUDMVRUZVKRAFQ-HSZRJFAPSA-N 1 1 477.700 3.688 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887893 721380863 /nfs/dbraw/zinc/38/08/63/721380863.db2.gz ITLWCMQZGCWSMB-VGOFRKELSA-N 1 1 450.414 3.702 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164780334 721381700 /nfs/dbraw/zinc/38/17/00/721381700.db2.gz GATFLEAJBLVMBQ-POMLREGLSA-N 1 1 463.626 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)O2)CC1 ZINC001164894648 721394407 /nfs/dbraw/zinc/39/44/07/721394407.db2.gz ZQQHZOCSPFXXLW-QRWLVFNGSA-N 1 1 472.005 3.655 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164783319 721401702 /nfs/dbraw/zinc/40/17/02/721401702.db2.gz HIDXJZPMQSIJEM-IAGOWNOFSA-N 1 1 451.987 3.553 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)O2)CC1 ZINC001164889826 721420728 /nfs/dbraw/zinc/42/07/28/721420728.db2.gz RPEUQDQUWCKUDO-KNQAVFIVSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895389 721430254 /nfs/dbraw/zinc/43/02/54/721430254.db2.gz OHCZLRAASCWGBW-KOSHJBKYSA-N 1 1 455.006 3.530 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890784 721431538 /nfs/dbraw/zinc/43/15/38/721431538.db2.gz FSKQJVJHSLXDFO-FUFSCUOVSA-N 1 1 471.649 3.986 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164894905 721431676 /nfs/dbraw/zinc/43/16/76/721431676.db2.gz NBSPGEJNQOBNIY-CVDCTZTESA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164894907 721431706 /nfs/dbraw/zinc/43/17/06/721431706.db2.gz NBSPGEJNQOBNIY-XXBNENTESA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899861 721439549 /nfs/dbraw/zinc/43/95/49/721439549.db2.gz ZKPNEBOAGWFTCO-JPYJTQIMSA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)C3)O2)CC1 ZINC001164894954 721441422 /nfs/dbraw/zinc/44/14/22/721441422.db2.gz NUBTZUGEUBKYBC-NTKDMRAZSA-N 1 1 459.997 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C3)O2)CC1 ZINC001164895838 721442842 /nfs/dbraw/zinc/44/28/42/721442842.db2.gz QGPRKNWNRJDQEA-NBGIEHNGSA-N 1 1 480.638 3.626 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890719 721445681 /nfs/dbraw/zinc/44/56/81/721445681.db2.gz DMRGTZSVOSGAMF-UZUQRXQVSA-N 1 1 465.976 3.986 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884284 721447803 /nfs/dbraw/zinc/44/78/03/721447803.db2.gz ANGJRZMVVWBGHI-IRPSRAIASA-N 1 1 487.648 3.974 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)C3)O2)CC1 ZINC001164884430 721450067 /nfs/dbraw/zinc/45/00/67/721450067.db2.gz BDVRUXUIKLBEHI-RDPSFJRHSA-N 1 1 475.996 3.827 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164889068 721451175 /nfs/dbraw/zinc/45/11/75/721451175.db2.gz NHCZHQABFWAFFO-SQJMNOBHSA-N 1 1 488.032 3.696 20 0 JHADMO 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CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001306686396 1069422692 /nfs/dbraw/zinc/42/26/92/1069422692.db2.gz TZPVHUYYJVGHAL-IBGZPJMESA-N 1 1 478.041 3.743 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001306684416 1069419265 /nfs/dbraw/zinc/41/92/65/1069419265.db2.gz MTJCYJCUDRTURR-UHFFFAOYSA-N 1 1 479.604 3.564 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCSC(CC)(CC)C1 ZINC001306684253 1069419463 /nfs/dbraw/zinc/41/94/63/1069419463.db2.gz JGPHKKQGNGIDSA-UHFFFAOYSA-N 1 1 462.664 3.850 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306685349 1069420632 /nfs/dbraw/zinc/42/06/32/1069420632.db2.gz BGUIUEAFSSWYEQ-QFIPXVFZSA-N 1 1 492.709 3.986 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306685348 1069420873 /nfs/dbraw/zinc/42/08/73/1069420873.db2.gz BGUIUEAFSSWYEQ-JOCHJYFZSA-N 1 1 492.709 3.986 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)C1 ZINC001306685659 1069421252 /nfs/dbraw/zinc/42/12/52/1069421252.db2.gz IIIRFIMXAOTFQW-UHFFFAOYSA-N 1 1 470.609 3.970 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 ZINC001306686860 1069423376 /nfs/dbraw/zinc/42/33/76/1069423376.db2.gz YGQGGEOYEDPHJW-OAQYLSRUSA-N 1 1 478.682 3.945 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001306687366 1069423888 /nfs/dbraw/zinc/42/38/88/1069423888.db2.gz JGWXDWBLGRARPP-UHFFFAOYSA-N 1 1 465.621 3.770 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001311534671 1069426919 /nfs/dbraw/zinc/42/69/19/1069426919.db2.gz QNYLDEMNBNEDTM-GIVPXCGWSA-N 1 1 454.656 3.601 20 0 JHADMO CCCCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001306697584 1069433664 /nfs/dbraw/zinc/43/36/64/1069433664.db2.gz DVTJAVIPLTXPOM-QGZVFWFLSA-N 1 1 490.450 3.758 20 0 JHADMO 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ZINC001307802358 1070189708 /nfs/dbraw/zinc/18/97/08/1070189708.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 1 1 458.444 3.966 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1(SC)CCOCC1 ZINC001314363930 1070191108 /nfs/dbraw/zinc/19/11/08/1070191108.db2.gz FFNQXOSJIMXIEU-RTWAWAEBSA-N 1 1 465.708 3.818 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314364879 1070191923 /nfs/dbraw/zinc/19/19/23/1070191923.db2.gz JUQYGCXAPMVLHW-LJQANCHMSA-N 1 1 476.691 3.889 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001314364879 1070191929 /nfs/dbraw/zinc/19/19/29/1070191929.db2.gz JUQYGCXAPMVLHW-LJQANCHMSA-N 1 1 476.691 3.889 20 0 JHADMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001307810860 1070193924 /nfs/dbraw/zinc/19/39/24/1070193924.db2.gz COXDWIDPOUAAPW-GFCCVEGCSA-N 1 1 456.743 3.956 20 0 JHADMO C[N@@H+](CCn1cc(Br)cn1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC001307817645 1070197725 /nfs/dbraw/zinc/19/77/25/1070197725.db2.gz BPPNOBWULJCZNN-HNNXBMFYSA-N 1 1 451.590 3.901 20 0 JHADMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001307820312 1070200403 /nfs/dbraw/zinc/20/04/03/1070200403.db2.gz ULRJMGHKZRYLSJ-ZDUSSCGKSA-N 1 1 453.345 3.771 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC001307824162 1070201031 /nfs/dbraw/zinc/20/10/31/1070201031.db2.gz UKBMSMMTSCWTBO-OALUTQOASA-N 1 1 454.409 3.989 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314367666 1070201307 /nfs/dbraw/zinc/20/13/07/1070201307.db2.gz KKWDFPZVMJIDQE-SFHVURJKSA-N 1 1 483.583 3.993 20 0 JHADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC001307827394 1070202725 /nfs/dbraw/zinc/20/27/25/1070202725.db2.gz JNIRZSPZEFBPRL-KRWDZBQOSA-N 1 1 455.555 3.796 20 0 JHADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC001307827394 1070202740 /nfs/dbraw/zinc/20/27/40/1070202740.db2.gz JNIRZSPZEFBPRL-KRWDZBQOSA-N 1 1 455.555 3.796 20 0 JHADMO COc1ccc([C@@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)[C@H](C)Cc2ccccc2)cc1 ZINC001307843288 1070208691 /nfs/dbraw/zinc/20/86/91/1070208691.db2.gz LRWOTIVHBDKVDS-IBVKSMDESA-N 1 1 458.558 3.958 20 0 JHADMO COc1ccc([C@@H](O)C[N@@H+](CCn2cnc(Br)n2)[C@@H](C)Cc2ccccc2)cc1 ZINC001307846311 1070209519 /nfs/dbraw/zinc/20/95/19/1070209519.db2.gz VIOIIMNVNIJQSB-UWJYYQICSA-N 1 1 459.388 3.716 20 0 JHADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001307852280 1070211199 /nfs/dbraw/zinc/21/11/99/1070211199.db2.gz GEMCZHRZOHDSAF-GOSISDBHSA-N 1 1 454.434 3.514 20 0 JHADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001307852280 1070211212 /nfs/dbraw/zinc/21/12/12/1070211212.db2.gz GEMCZHRZOHDSAF-GOSISDBHSA-N 1 1 454.434 3.514 20 0 JHADMO 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 1070212579 /nfs/dbraw/zinc/21/25/79/1070212579.db2.gz LKOFBEKZOYRXSE-CIQXWFTPSA-N 1 1 462.610 3.900 20 0 JHADMO CCN(CCC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1)CC(F)(F)F ZINC001307860363 1070214117 /nfs/dbraw/zinc/21/41/17/1070214117.db2.gz LDTBGLQMNNQWTI-DLBZAZTESA-N 1 1 451.327 3.912 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001314376192 1070216533 /nfs/dbraw/zinc/21/65/33/1070216533.db2.gz LRYGWMYSCGAZOY-VWLOTQADSA-N 1 1 496.700 3.607 20 0 JHADMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC001307876132 1070219792 /nfs/dbraw/zinc/21/97/92/1070219792.db2.gz YYBVSTWZQIUOGG-LJQANCHMSA-N 1 1 457.565 3.681 20 0 JHADMO CCOCc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001314379969 1070223349 /nfs/dbraw/zinc/22/33/49/1070223349.db2.gz SOOLKSYTUHZCCR-QHCPKHFHSA-N 1 1 451.619 3.778 20 0 JHADMO CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001313018602 1070223489 /nfs/dbraw/zinc/22/34/89/1070223489.db2.gz UJIJGBVBHCLVIQ-RPWUZVMVSA-N 1 1 457.018 3.851 20 0 JHADMO COC(=O)[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1c1ccc(O)cc1 ZINC001307884648 1070224015 /nfs/dbraw/zinc/22/40/15/1070224015.db2.gz SPBOJKNURJMNHB-RBUKOAKNSA-N 1 1 472.339 3.517 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1c1ccc(O)cc1 ZINC001307884648 1070224035 /nfs/dbraw/zinc/22/40/35/1070224035.db2.gz SPBOJKNURJMNHB-RBUKOAKNSA-N 1 1 472.339 3.517 20 0 JHADMO CCC[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1CCOC ZINC001313024737 1070225220 /nfs/dbraw/zinc/22/52/20/1070225220.db2.gz RNHMNOJLCHPLQL-HXUWFJFHSA-N 1 1 452.437 3.914 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313034449 1070228430 /nfs/dbraw/zinc/22/84/30/1070228430.db2.gz AISCCOXYLJRPDZ-HXUWFJFHSA-N 1 1 454.656 3.556 20 0 JHADMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893422 1070228496 /nfs/dbraw/zinc/22/84/96/1070228496.db2.gz GSOUGZYSWJSOBW-QAPCUYQASA-N 1 1 452.304 3.657 20 0 JHADMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893422 1070228508 /nfs/dbraw/zinc/22/85/08/1070228508.db2.gz GSOUGZYSWJSOBW-QAPCUYQASA-N 1 1 452.304 3.657 20 0 JHADMO COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232052 /nfs/dbraw/zinc/23/20/52/1070232052.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 1 1 450.627 3.823 20 0 JHADMO C[N@H+](C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001307907727 1070233340 /nfs/dbraw/zinc/23/33/40/1070233340.db2.gz IEAMXVKROHHRQE-CZUORRHYSA-N 1 1 459.370 3.511 20 0 JHADMO C[N@@H+](C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001307907727 1070233356 /nfs/dbraw/zinc/23/33/56/1070233356.db2.gz IEAMXVKROHHRQE-CZUORRHYSA-N 1 1 459.370 3.511 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905515 1070233504 /nfs/dbraw/zinc/23/35/04/1070233504.db2.gz RMLUVMTWAMVONI-NSHGMRRFSA-N 1 1 458.559 3.727 20 0 JHADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC001307917898 1070240179 /nfs/dbraw/zinc/24/01/79/1070240179.db2.gz CZCYSYSKUNRELW-HXUWFJFHSA-N 1 1 457.578 3.981 20 0 JHADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC001307917898 1070240189 /nfs/dbraw/zinc/24/01/89/1070240189.db2.gz CZCYSYSKUNRELW-HXUWFJFHSA-N 1 1 457.578 3.981 20 0 JHADMO COc1ccc(CN2CCN(C(=O)C[NH2+][C@H](c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC001307921765 1070243320 /nfs/dbraw/zinc/24/33/20/1070243320.db2.gz YRMKKWQGDPZQQV-MUUNZHRXSA-N 1 1 459.590 3.727 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001314388824 1070240732 /nfs/dbraw/zinc/24/07/32/1070240732.db2.gz MZBGZRUIEIKYRK-SIKLNZKXSA-N 1 1 459.635 3.768 20 0 JHADMO CCOCc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314392432 1070248451 /nfs/dbraw/zinc/24/84/51/1070248451.db2.gz YOVSEWXKDQDDEG-FQEVSTJZSA-N 1 1 476.616 3.787 20 0 JHADMO CCCCCC[C@](O)(C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(=O)OC ZINC001307926545 1070245518 /nfs/dbraw/zinc/24/55/18/1070245518.db2.gz VAYGZSJSFSZNHM-KBMXLJTQSA-N 1 1 455.231 3.689 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1Cc3ccccc3O[C@H]1C(F)(F)F)CCC2 ZINC001307938080 1070249317 /nfs/dbraw/zinc/24/93/17/1070249317.db2.gz DKNJCFMBHMDURS-AUUYWEPGSA-N 1 1 468.497 3.876 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C12CCC2 ZINC001307941285 1070251784 /nfs/dbraw/zinc/25/17/84/1070251784.db2.gz DSFGROZQQUHYPY-MRXNPFEDSA-N 1 1 452.481 3.703 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001314397563 1070257484 /nfs/dbraw/zinc/25/74/84/1070257484.db2.gz UJQPWGZQFGYKMG-UHFFFAOYSA-N 1 1 472.562 3.722 20 0 JHADMO CCOCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001314399572 1070259322 /nfs/dbraw/zinc/25/93/22/1070259322.db2.gz YZUKWUDQNUISTG-FDFHNCONSA-N 1 1 472.653 3.752 20 0 JHADMO CCOCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314400141 1070260938 /nfs/dbraw/zinc/26/09/38/1070260938.db2.gz QCQMZBRNUOAVFQ-QHCPKHFHSA-N 1 1 454.663 3.566 20 0 JHADMO CCOCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314400141 1070260954 /nfs/dbraw/zinc/26/09/54/1070260954.db2.gz QCQMZBRNUOAVFQ-QHCPKHFHSA-N 1 1 454.663 3.566 20 0 JHADMO COC(=O)c1oc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1C ZINC001313131734 1070262190 /nfs/dbraw/zinc/26/21/90/1070262190.db2.gz AUDSUCUURJZSDF-BJKOFHAPSA-N 1 1 477.561 3.851 20 0 JHADMO CCOCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314401225 1070262611 /nfs/dbraw/zinc/26/26/11/1070262611.db2.gz RFPLGSBPLRGKMS-GOSISDBHSA-N 1 1 464.010 3.598 20 0 JHADMO C[NH+](C)C[C@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001307982691 1070268610 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CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1CC ZINC001314494541 1070409921 /nfs/dbraw/zinc/40/99/21/1070409921.db2.gz RLRUJSKUSPZQTC-YKSBVNFPSA-N 1 1 497.606 3.963 20 0 JHADMO 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 1070411029 /nfs/dbraw/zinc/41/10/29/1070411029.db2.gz WHQDYEXEYKHJSH-PMVMPFDFSA-N 1 1 486.636 3.611 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001313459652 1070407435 /nfs/dbraw/zinc/40/74/35/1070407435.db2.gz PFZNDVNNRWQHBZ-LJQANCHMSA-N 1 1 491.478 3.790 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001314494886 1070411940 /nfs/dbraw/zinc/41/19/40/1070411940.db2.gz CQVOSPJVEPCPKM-UHFFFAOYSA-N 1 1 460.504 3.566 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@H]1CC ZINC001314494114 1070409236 /nfs/dbraw/zinc/40/92/36/1070409236.db2.gz NEBPCUDSUUNGJS-GOSISDBHSA-N 1 1 479.467 3.719 20 0 JHADMO CCOC(=O)Cn1cc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670391 1070415040 /nfs/dbraw/zinc/41/50/40/1070415040.db2.gz OLBWAERVBOJCLW-XZOQPEGZSA-N 1 1 452.530 3.999 20 0 JHADMO CCOC(=O)Cn1cc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670388 1070415075 /nfs/dbraw/zinc/41/50/75/1070415075.db2.gz OLBWAERVBOJCLW-DHIUTWEWSA-N 1 1 452.530 3.999 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)cc2)C[C@H]1CC ZINC001314495820 1070415400 /nfs/dbraw/zinc/41/54/00/1070415400.db2.gz LBCUWSPKESHKMT-JOCHJYFZSA-N 1 1 452.578 3.773 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)C[C@@H]1CC ZINC001314496043 1070416362 /nfs/dbraw/zinc/41/63/62/1070416362.db2.gz GBFPSUNPGLCOAW-FQEVSTJZSA-N 1 1 463.573 3.936 20 0 JHADMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681448 1070416513 /nfs/dbraw/zinc/41/65/13/1070416513.db2.gz AELVWKCXEIGRAD-YLJYHZDGSA-N 1 1 454.571 3.858 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)O)C[C@@H]1CC ZINC001314496639 1070417834 /nfs/dbraw/zinc/41/78/34/1070417834.db2.gz LOSQYWYXZITJHW-FQEVSTJZSA-N 1 1 466.630 3.510 20 0 JHADMO CCOC(=O)c1cnn2cc(C[N@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cnc12 ZINC001308690781 1070419114 /nfs/dbraw/zinc/41/91/14/1070419114.db2.gz DDSLESLYNHWSJW-UHFFFAOYSA-N 1 1 457.575 3.519 20 0 JHADMO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)C1(C)C ZINC001308690946 1070419470 /nfs/dbraw/zinc/41/94/70/1070419470.db2.gz ISAXJXSWFTUAHQ-DYESRHJHSA-N 1 1 456.370 3.621 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314497003 1070419592 /nfs/dbraw/zinc/41/95/92/1070419592.db2.gz VRZCQMJCKIBQPN-JOCHJYFZSA-N 1 1 472.653 3.611 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCCCCC2)CC1 ZINC001314497662 1070421369 /nfs/dbraw/zinc/42/13/69/1070421369.db2.gz CSHCDKXBQIPEFK-UHFFFAOYSA-N 1 1 485.673 3.718 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncccc2C)CC1 ZINC001314498245 1070422931 /nfs/dbraw/zinc/42/29/31/1070422931.db2.gz XEXWXFZRRVJKKE-UHFFFAOYSA-N 1 1 491.459 3.679 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001314498485 1070424753 /nfs/dbraw/zinc/42/47/53/1070424753.db2.gz PGOFLPLCQAXQMA-IBGZPJMESA-N 1 1 477.650 3.686 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(O)cc2)C[C@H]1CC ZINC001314498832 1070425499 /nfs/dbraw/zinc/42/54/99/1070425499.db2.gz RXOZLQKMVOFWCZ-OAQYLSRUSA-N 1 1 455.628 3.621 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCO[C@H](C)C2)C[C@@H]1CC ZINC001314499435 1070427338 /nfs/dbraw/zinc/42/73/38/1070427338.db2.gz KHTNBRZVXQLJEP-OYRHQHFDSA-N 1 1 469.674 3.930 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001314499432 1070427357 /nfs/dbraw/zinc/42/73/57/1070427357.db2.gz KHOVECMWOFZECU-QGZVFWFLSA-N 1 1 490.624 3.874 20 0 JHADMO CCOCCN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429697 /nfs/dbraw/zinc/42/96/97/1070429697.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 1 1 460.711 3.993 20 0 JHADMO CCOCCN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429704 /nfs/dbraw/zinc/42/97/04/1070429704.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 1 1 460.711 3.993 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC=CO2)C[C@H]1CC ZINC001314500108 1070429813 /nfs/dbraw/zinc/42/98/13/1070429813.db2.gz QPQYOCBFUTZESQ-PKTZIBPZSA-N 1 1 457.594 3.638 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(C)C)CC1 ZINC001314501303 1070433065 /nfs/dbraw/zinc/43/30/65/1070433065.db2.gz PPLXVHJXZDBZCN-QFIPXVFZSA-N 1 1 457.619 3.631 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500763 1070432477 /nfs/dbraw/zinc/43/24/77/1070432477.db2.gz XXQACFDYKCJZKS-HKQJZWTQSA-N 1 1 490.737 3.967 20 0 JHADMO CCOCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500763 1070432480 /nfs/dbraw/zinc/43/24/80/1070432480.db2.gz XXQACFDYKCJZKS-HKQJZWTQSA-N 1 1 490.737 3.967 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001313467415 1070443208 /nfs/dbraw/zinc/44/32/08/1070443208.db2.gz QTEWKCPIAMSNIE-GOSISDBHSA-N 1 1 491.478 3.790 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](C)[C@@H](C)CC)C1 ZINC001313466830 1070440704 /nfs/dbraw/zinc/44/07/04/1070440704.db2.gz NJIRPZRZUTVVAU-UNMCSNQZSA-N 1 1 477.657 3.966 20 0 JHADMO C[N@@H+]1CC[C@H](Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001308871943 1070452404 /nfs/dbraw/zinc/45/24/04/1070452404.db2.gz ICTWCXKYKUYNFU-UFYCRDLUSA-N 1 1 457.372 3.967 20 0 JHADMO C[N@H+]1CC[C@H](Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001308871943 1070452408 /nfs/dbraw/zinc/45/24/08/1070452408.db2.gz ICTWCXKYKUYNFU-UFYCRDLUSA-N 1 1 457.372 3.967 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314508155 1070457381 /nfs/dbraw/zinc/45/73/81/1070457381.db2.gz NQWVMICKHLQFTO-FQEVSTJZSA-N 1 1 461.676 3.716 20 0 JHADMO CCOC(=O)Cn1cc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)c(-c2cccnc2)n1 ZINC001308926735 1070460634 /nfs/dbraw/zinc/46/06/34/1070460634.db2.gz PPBBFMTWIZVJAF-UHFFFAOYSA-N 1 1 453.449 3.731 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001313471310 1070460804 /nfs/dbraw/zinc/46/08/04/1070460804.db2.gz GOBBSFYXHIYERV-OAQYLSRUSA-N 1 1 498.672 3.579 20 0 JHADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001308932469 1070461346 /nfs/dbraw/zinc/46/13/46/1070461346.db2.gz YPQFSMKYGQCBGM-UQBPGWFLSA-N 1 1 454.571 3.738 20 0 JHADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001308932469 1070461352 /nfs/dbraw/zinc/46/13/52/1070461352.db2.gz YPQFSMKYGQCBGM-UQBPGWFLSA-N 1 1 454.571 3.738 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001314509033 1070461689 /nfs/dbraw/zinc/46/16/89/1070461689.db2.gz LSUVKDHTKZPGHS-UHFFFAOYSA-N 1 1 486.686 3.571 20 0 JHADMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)o1 ZINC001308938337 1070463041 /nfs/dbraw/zinc/46/30/41/1070463041.db2.gz CDCDJGQQNFARJM-RUZDIDTESA-N 1 1 456.539 3.945 20 0 JHADMO CCc1ccc([C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)[NH+](C)C)cc1 ZINC001309002754 1070478158 /nfs/dbraw/zinc/47/81/58/1070478158.db2.gz PWFHZMJBSMOTCN-HXUWFJFHSA-N 1 1 450.004 3.758 20 0 JHADMO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC001309013789 1070484828 /nfs/dbraw/zinc/48/48/28/1070484828.db2.gz YPRAMNQEAOHBHP-KRWDZBQOSA-N 1 1 453.630 3.621 20 0 JHADMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2cccs2)CC1 ZINC001309012119 1070483466 /nfs/dbraw/zinc/48/34/66/1070483466.db2.gz LWNKFSBBXBFAGR-MRXNPFEDSA-N 1 1 457.017 3.924 20 0 JHADMO COc1cc(OC)cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001309025286 1070491277 /nfs/dbraw/zinc/49/12/77/1070491277.db2.gz HXTVWCMCSMUFGQ-UHFFFAOYSA-N 1 1 458.502 3.619 20 0 JHADMO COc1cc(OC)cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001309025286 1070491283 /nfs/dbraw/zinc/49/12/83/1070491283.db2.gz HXTVWCMCSMUFGQ-UHFFFAOYSA-N 1 1 458.502 3.619 20 0 JHADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314519164 1070501031 /nfs/dbraw/zinc/50/10/31/1070501031.db2.gz URNKPGIKFUSXRQ-APWZRJJASA-N 1 1 479.647 3.708 20 0 JHADMO CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313489857 1070509861 /nfs/dbraw/zinc/50/98/61/1070509861.db2.gz ZWQZJKPXXBIFES-ROUUACIJSA-N 1 1 481.670 3.822 20 0 JHADMO CCCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001313490122 1070510409 /nfs/dbraw/zinc/51/04/09/1070510409.db2.gz RBZRCVURUQIDHK-HXUWFJFHSA-N 1 1 454.663 3.937 20 0 JHADMO CC1(c2ccc(S(=O)(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2)OCCO1 ZINC001309055923 1070512066 /nfs/dbraw/zinc/51/20/66/1070512066.db2.gz KMRASZDUMMVWTJ-OAQYLSRUSA-N 1 1 450.988 3.675 20 0 JHADMO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313493244 1070514361 /nfs/dbraw/zinc/51/43/61/1070514361.db2.gz WZIZUKKCIIGANW-LEWJYISDSA-N 1 1 468.646 3.571 20 0 JHADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001309060998 1070515162 /nfs/dbraw/zinc/51/51/62/1070515162.db2.gz DOPWQRRCOPDSIF-WGIQPIAHSA-N 1 1 456.608 3.829 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314524597 1070516745 /nfs/dbraw/zinc/51/67/45/1070516745.db2.gz DCAIVBGRZYKZJR-QHCPKHFHSA-N 1 1 473.687 3.952 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001314527883 1070519461 /nfs/dbraw/zinc/51/94/61/1070519461.db2.gz ASRGCGAGIZFXRW-NRFANRHFSA-N 1 1 479.716 3.598 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001314527884 1070519540 /nfs/dbraw/zinc/51/95/40/1070519540.db2.gz ASRGCGAGIZFXRW-OAQYLSRUSA-N 1 1 479.716 3.598 20 0 JHADMO C[NH+](C)[C@@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)cc1 ZINC001309077811 1070526055 /nfs/dbraw/zinc/52/60/55/1070526055.db2.gz CFYOKIWUSWYYLB-SFHVURJKSA-N 1 1 455.349 3.544 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502550 1070529202 /nfs/dbraw/zinc/52/92/02/1070529202.db2.gz MBYTTXRAHCEYEP-UXHICEINSA-N 1 1 481.645 3.638 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313504303 1070537979 /nfs/dbraw/zinc/53/79/79/1070537979.db2.gz FOSSWBHPDDRDNS-OAQYLSRUSA-N 1 1 498.672 3.533 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCO[C@](C)(CC)C3)n2CCn2cc[nH+]c2C)cc1OC ZINC001313504717 1070539790 /nfs/dbraw/zinc/53/97/90/1070539790.db2.gz OFNZULTZWBJRQC-RUZDIDTESA-N 1 1 468.602 3.953 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCCC[N@H+]2CC)cc1OC ZINC001313506488 1070548800 /nfs/dbraw/zinc/54/88/00/1070548800.db2.gz QVBGNVPVKGIQRT-NRFANRHFSA-N 1 1 457.619 3.844 20 0 JHADMO CC[S@@](=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001314559814 1070561202 /nfs/dbraw/zinc/56/12/02/1070561202.db2.gz OMTBNDYQIYWSJZ-AONNBLCTSA-N 1 1 477.650 3.781 20 0 JHADMO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001309135428 1070559767 /nfs/dbraw/zinc/55/97/67/1070559767.db2.gz SVSRUFBVIIRLMZ-QGZVFWFLSA-N 1 1 454.976 3.785 20 0 JHADMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001309135428 1070559779 /nfs/dbraw/zinc/55/97/79/1070559779.db2.gz SVSRUFBVIIRLMZ-QGZVFWFLSA-N 1 1 454.976 3.785 20 0 JHADMO COc1c(C)c[nH+]c(CN2CCC(N(C)S(=O)(=O)c3cc(C)c(F)cc3F)CC2)c1C ZINC001309157510 1070574901 /nfs/dbraw/zinc/57/49/01/1070574901.db2.gz NPWOFGGXTNRURG-UHFFFAOYSA-N 1 1 453.555 3.579 20 0 JHADMO CC[S@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001314577195 1070586010 /nfs/dbraw/zinc/58/60/10/1070586010.db2.gz GDBTWUGPLXFATK-XMRZCFQKSA-N 1 1 487.714 3.676 20 0 JHADMO CC[S@](=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001314577195 1070586024 /nfs/dbraw/zinc/58/60/24/1070586024.db2.gz GDBTWUGPLXFATK-XMRZCFQKSA-N 1 1 487.714 3.676 20 0 JHADMO CC[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001314578861 1070589229 /nfs/dbraw/zinc/58/92/29/1070589229.db2.gz MZAFDNKBGBQHST-HYHKQLJDSA-N 1 1 480.078 3.590 20 0 JHADMO CCCO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CC1 ZINC001313526536 1070601461 /nfs/dbraw/zinc/60/14/61/1070601461.db2.gz LDCOAZFTMGYEKZ-LJQANCHMSA-N 1 1 495.466 3.544 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC001309203467 1070605404 /nfs/dbraw/zinc/60/54/04/1070605404.db2.gz CKKVECNSFGCUIO-UHFFFAOYSA-N 1 1 450.973 3.753 20 0 JHADMO 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CN(C)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC001310105474 1071120193 /nfs/dbraw/zinc/12/01/93/1071120193.db2.gz LZTGUYBUPRXJLT-DYESRHJHSA-N 1 1 450.505 3.776 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001313773978 1071128797 /nfs/dbraw/zinc/12/87/97/1071128797.db2.gz ZCUVMWBCYCDCAQ-FGZHOGPDSA-N 1 1 454.619 3.637 20 0 JHADMO CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001314819774 1071133833 /nfs/dbraw/zinc/13/38/33/1071133833.db2.gz UMFIFUIWIGHQPO-HSZRJFAPSA-N 1 1 485.673 3.702 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310127834 1071140247 /nfs/dbraw/zinc/14/02/47/1071140247.db2.gz OCJIWTNSBDINMY-ZEQRLZLVSA-N 1 1 450.583 3.610 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310127834 1071140249 /nfs/dbraw/zinc/14/02/49/1071140249.db2.gz OCJIWTNSBDINMY-ZEQRLZLVSA-N 1 1 450.583 3.610 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccccc2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001313780624 1071144850 /nfs/dbraw/zinc/14/48/50/1071144850.db2.gz LAQISRCQEFBCLV-ZEQRLZLVSA-N 1 1 455.647 3.539 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001313778906 1071140384 /nfs/dbraw/zinc/14/03/84/1071140384.db2.gz LJGBDLWLJKMRST-CMOCDZPBSA-N 1 1 463.667 3.518 20 0 JHADMO CCN(C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C1)CC(F)(F)F ZINC001313787158 1071163741 /nfs/dbraw/zinc/16/37/41/1071163741.db2.gz MALUVENPUIAGQV-UXHICEINSA-N 1 1 488.643 3.787 20 0 JHADMO CCN(C[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)C1)CC(F)(F)F ZINC001313788319 1071174532 /nfs/dbraw/zinc/17/45/32/1071174532.db2.gz SIKLAMNFMMARFL-QZTJIDSGSA-N 1 1 453.557 3.571 20 0 JHADMO CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC001310168469 1071175968 /nfs/dbraw/zinc/17/59/68/1071175968.db2.gz RMGDBBRXBJZDST-ZIFCJYIRSA-N 1 1 451.011 3.831 20 0 JHADMO CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC001310168469 1071175976 /nfs/dbraw/zinc/17/59/76/1071175976.db2.gz RMGDBBRXBJZDST-ZIFCJYIRSA-N 1 1 451.011 3.831 20 0 JHADMO CN(CCc1cnccn1)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314835539 1071176660 /nfs/dbraw/zinc/17/66/60/1071176660.db2.gz WHSSNJNNJBTMED-QHCPKHFHSA-N 1 1 477.016 3.689 20 0 JHADMO CCN(CCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313795689 1071194561 /nfs/dbraw/zinc/19/45/61/1071194561.db2.gz GRLBUMOCAGZPKN-ZVDOUQERSA-N 1 1 465.708 3.563 20 0 JHADMO COCCOc1ccc(NC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1F ZINC001310188445 1071194668 /nfs/dbraw/zinc/19/46/68/1071194668.db2.gz NPTIOICGPVRRCI-UQBPGWFLSA-N 1 1 457.546 3.748 20 0 JHADMO COCCOc1ccc(NC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1F ZINC001310188445 1071194673 /nfs/dbraw/zinc/19/46/73/1071194673.db2.gz NPTIOICGPVRRCI-UQBPGWFLSA-N 1 1 457.546 3.748 20 0 JHADMO 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CC[N@@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC001313802064 1071207473 /nfs/dbraw/zinc/20/74/73/1071207473.db2.gz MWYMWIOTOZXIDS-PKTZIBPZSA-N 1 1 482.673 3.966 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1)C(C)C ZINC001313803330 1071210489 /nfs/dbraw/zinc/21/04/89/1071210489.db2.gz OTICLKWGIJEBCU-PZJWPPBQSA-N 1 1 487.645 3.707 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001313803599 1071211766 /nfs/dbraw/zinc/21/17/66/1071211766.db2.gz SSGHWOPXOKLMIB-SFHVURJKSA-N 1 1 498.594 3.765 20 0 JHADMO CN(CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314849882 1071213990 /nfs/dbraw/zinc/21/39/90/1071213990.db2.gz DXNIZKKSSAXLHL-FCHUYYIVSA-N 1 1 494.606 3.767 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCOCC2)C1)C(C)C ZINC001313803782 1071212816 /nfs/dbraw/zinc/21/28/16/1071212816.db2.gz UTTFDRWZUJNZCI-UHFFFAOYSA-N 1 1 479.572 3.663 20 0 JHADMO 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CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(F)F)CC1)C1CC1 ZINC001313806263 1071223752 /nfs/dbraw/zinc/22/37/52/1071223752.db2.gz SXJUOMQRWAYTEE-UHFFFAOYSA-N 1 1 483.405 3.579 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)C(C)C ZINC001313806781 1071225942 /nfs/dbraw/zinc/22/59/42/1071225942.db2.gz YCTFXTRUMKKYBX-AREMUKBSSA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC001313807216 1071227274 /nfs/dbraw/zinc/22/72/74/1071227274.db2.gz GZJMVIXMBAWQKB-GOSISDBHSA-N 1 1 489.462 3.639 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)CCC(F)(F)F ZINC001313807736 1071229361 /nfs/dbraw/zinc/22/93/61/1071229361.db2.gz XDLFXPZGKADLSX-HSZRJFAPSA-N 1 1 480.579 3.520 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001313808176 1071231654 /nfs/dbraw/zinc/23/16/54/1071231654.db2.gz CJXOEOQKBAIIJE-MRXNPFEDSA-N 1 1 450.990 3.525 20 0 JHADMO 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CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313813632 1071255195 /nfs/dbraw/zinc/25/51/95/1071255195.db2.gz VMNWBKCHSMYEKH-SFHVURJKSA-N 1 1 492.550 3.998 20 0 JHADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)CCC(F)(F)F ZINC001313814468 1071257667 /nfs/dbraw/zinc/25/76/67/1071257667.db2.gz GGBYOWTZLLZGIB-UHFFFAOYSA-N 1 1 458.573 3.515 20 0 JHADMO CC[N@@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCCCC1)C(C)C ZINC001313814182 1071256776 /nfs/dbraw/zinc/25/67/76/1071256776.db2.gz IXBIDBVEVKSRRR-UHFFFAOYSA-N 1 1 454.667 3.951 20 0 JHADMO CC[N@@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(CC)C1)C(C)C ZINC001313814180 1071257078 /nfs/dbraw/zinc/25/70/78/1071257078.db2.gz IWCPKOZGUUFWEG-RUZDIDTESA-N 1 1 454.667 3.809 20 0 JHADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C1CCCCC1 ZINC001314861302 1071252637 /nfs/dbraw/zinc/25/26/37/1071252637.db2.gz RRHBBMQFMXOSSK-SFHVURJKSA-N 1 1 467.540 3.547 20 0 JHADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2cccnc2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001314862928 1071258057 /nfs/dbraw/zinc/25/80/57/1071258057.db2.gz JABIBUYBAUIBDA-UHFFFAOYSA-N 1 1 498.557 3.785 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1)C(C)C ZINC001313815170 1071260634 /nfs/dbraw/zinc/26/06/34/1071260634.db2.gz TXXCWUYSTCWTQT-LEWJYISDSA-N 1 1 478.682 3.738 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)CCC(F)(F)F ZINC001313815576 1071261461 /nfs/dbraw/zinc/26/14/61/1071261461.db2.gz QNGGZBDMQABFQO-INIZCTEOSA-N 1 1 489.974 3.748 20 0 JHADMO C[N@@H+](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865770 1071267210 /nfs/dbraw/zinc/26/72/10/1071267210.db2.gz WZGIGDLKYUBUJG-JOCHJYFZSA-N 1 1 468.646 3.856 20 0 JHADMO CN(CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314865931 1071268984 /nfs/dbraw/zinc/26/89/84/1071268984.db2.gz NPYXHAODTXLYPU-FGZHOGPDSA-N 1 1 494.606 3.767 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC001313818631 1071269332 /nfs/dbraw/zinc/26/93/32/1071269332.db2.gz NUQAIRACKTYGSJ-UHFFFAOYSA-N 1 1 473.065 3.701 20 0 JHADMO CC[N@@H+](CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)C(C)C ZINC001313819016 1071271161 /nfs/dbraw/zinc/27/11/61/1071271161.db2.gz FLKMRBUMIKJNDP-AOJNWGRGSA-N 1 1 455.647 3.566 20 0 JHADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C)CC1)CCC(F)(F)F ZINC001313819248 1071272838 /nfs/dbraw/zinc/27/28/38/1071272838.db2.gz KDGAYDIBBMEFPO-UHFFFAOYSA-N 1 1 494.610 3.710 20 0 JHADMO Cn1cc(Nc2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)Cc2ccccc2)cn1 ZINC001314867383 1071273836 /nfs/dbraw/zinc/27/38/36/1071273836.db2.gz MFQGKLDTTBMIDH-UHFFFAOYSA-N 1 1 455.364 3.645 20 0 JHADMO C[N@@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001314867406 1071273915 /nfs/dbraw/zinc/27/39/15/1071273915.db2.gz XVFMULLZRVYYNN-FQEVSTJZSA-N 1 1 482.673 3.731 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC001313820757 1071279768 /nfs/dbraw/zinc/27/97/68/1071279768.db2.gz UZPDCQYXNUOYPO-UHFFFAOYSA-N 1 1 470.662 3.651 20 0 JHADMO CC[N@@H+](CCn1c(CCCc2ccccc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC001313819796 1071275284 /nfs/dbraw/zinc/27/52/84/1071275284.db2.gz RBWIORBUKBLMGI-HHHXNRCGSA-N 1 1 469.674 3.958 20 0 JHADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313820057 1071276062 /nfs/dbraw/zinc/27/60/62/1071276062.db2.gz SLUQTYGDWAFDHE-WOJBJXKFSA-N 1 1 473.584 3.669 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C)C(C)C ZINC001313820947 1071280385 /nfs/dbraw/zinc/28/03/85/1071280385.db2.gz YGSAGCSTXAXXRV-HXUWFJFHSA-N 1 1 473.025 3.711 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C ZINC001313821171 1071281424 /nfs/dbraw/zinc/28/14/24/1071281424.db2.gz UVFGPTYDRXZBLL-UHFFFAOYSA-N 1 1 483.636 3.665 20 0 JHADMO CC[N@@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001313821328 1071282355 /nfs/dbraw/zinc/28/23/55/1071282355.db2.gz BFFGGFVQOJLTGK-UHFFFAOYSA-N 1 1 497.688 3.624 20 0 JHADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C(C)C ZINC001313822331 1071285562 /nfs/dbraw/zinc/28/55/62/1071285562.db2.gz PQCZUPRQTMQMBA-LJQANCHMSA-N 1 1 476.691 3.784 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC001313821854 1071283986 /nfs/dbraw/zinc/28/39/86/1071283986.db2.gz GXKDARDEZRBGGX-FQEVSTJZSA-N 1 1 467.536 3.726 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCCSc1ccccc1 ZINC001314871938 1071284902 /nfs/dbraw/zinc/28/49/02/1071284902.db2.gz GBTIRXWEWIVCGY-NRFANRHFSA-N 1 1 473.687 3.902 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCCSc1ccccc1 ZINC001314871938 1071284906 /nfs/dbraw/zinc/28/49/06/1071284906.db2.gz GBTIRXWEWIVCGY-NRFANRHFSA-N 1 1 473.687 3.902 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCC1(C)C ZINC001314872603 1071287130 /nfs/dbraw/zinc/28/71/30/1071287130.db2.gz LQBMTMZCWFOMPH-IBGZPJMESA-N 1 1 488.702 3.643 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCC1(C)C ZINC001314872603 1071287132 /nfs/dbraw/zinc/28/71/32/1071287132.db2.gz LQBMTMZCWFOMPH-IBGZPJMESA-N 1 1 488.702 3.643 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Br)cc2)n1C1CC1 ZINC001314872790 1071287789 /nfs/dbraw/zinc/28/77/89/1071287789.db2.gz OJKDGRPRNHYVRX-UHFFFAOYSA-N 1 1 464.408 3.502 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Br)cc2)n1C1CC1 ZINC001314872790 1071287795 /nfs/dbraw/zinc/28/77/95/1071287795.db2.gz OJKDGRPRNHYVRX-UHFFFAOYSA-N 1 1 464.408 3.502 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1CCCCO1 ZINC001314872639 1071287875 /nfs/dbraw/zinc/28/78/75/1071287875.db2.gz MEQVHKRTJUZOPK-NRFANRHFSA-N 1 1 475.609 3.502 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1CCCCO1 ZINC001314872639 1071287881 /nfs/dbraw/zinc/28/78/81/1071287881.db2.gz MEQVHKRTJUZOPK-NRFANRHFSA-N 1 1 475.609 3.502 20 0 JHADMO CN(Cc1ccccc1NC(=O)NCCC[NH+]1CCOCC1)C(=O)c1cc2ccccc2o1 ZINC001310306177 1071288647 /nfs/dbraw/zinc/28/86/47/1071288647.db2.gz FJSXHCHIMYHODC-UHFFFAOYSA-N 1 1 450.539 3.549 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCOc2ccccc2)n1CC1(O)CCCCCC1 ZINC001314873075 1071289750 /nfs/dbraw/zinc/28/97/50/1071289750.db2.gz SXHMEXUSSNYNHE-UHFFFAOYSA-N 1 1 485.673 3.532 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCOc2ccccc2)n1CC1(O)CCCCCC1 ZINC001314873075 1071289761 /nfs/dbraw/zinc/28/97/61/1071289761.db2.gz SXHMEXUSSNYNHE-UHFFFAOYSA-N 1 1 485.673 3.532 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCCCO1 ZINC001314873342 1071290845 /nfs/dbraw/zinc/29/08/45/1071290845.db2.gz YAECCHIAPYGKKG-YPAWHYETSA-N 1 1 477.694 3.703 20 0 JHADMO 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CN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1 ZINC001314891426 1071320987 /nfs/dbraw/zinc/32/09/87/1071320987.db2.gz XYQZKVGQAWSKAR-GOSISDBHSA-N 1 1 484.428 3.501 20 0 JHADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1 ZINC001314891664 1071321602 /nfs/dbraw/zinc/32/16/02/1071321602.db2.gz AAXAWWJKJWIEOX-CZTZKLFOSA-N 1 1 491.775 3.968 20 0 JHADMO C[C@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310365091 1071341820 /nfs/dbraw/zinc/34/18/20/1071341820.db2.gz YHNYSMSHWIVUJG-WMZHIEFXSA-N 1 1 453.583 3.982 20 0 JHADMO C[C@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310365091 1071341835 /nfs/dbraw/zinc/34/18/35/1071341835.db2.gz YHNYSMSHWIVUJG-WMZHIEFXSA-N 1 1 453.583 3.982 20 0 JHADMO Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314911383 1071351191 /nfs/dbraw/zinc/35/11/91/1071351191.db2.gz HBVWLCWRJWPRDE-QHCPKHFHSA-N 1 1 482.595 3.935 20 0 JHADMO 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CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313892191 1071486265 /nfs/dbraw/zinc/48/62/65/1071486265.db2.gz BSTUWLREMRXLGH-KRWDZBQOSA-N 1 1 475.439 3.507 20 0 JHADMO CCN(C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[N@@H+](CC)C2)C1)CC(F)(F)F ZINC001313892338 1071487704 /nfs/dbraw/zinc/48/77/04/1071487704.db2.gz XXMWTRYVODQZDJ-RTBURBONSA-N 1 1 468.568 3.899 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313893993 1071491817 /nfs/dbraw/zinc/49/18/17/1071491817.db2.gz RQAZLJHWRGMOCS-LEWJYISDSA-N 1 1 486.636 3.736 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313892907 1071488788 /nfs/dbraw/zinc/48/87/88/1071488788.db2.gz MMEFOFNNDPWZSA-RTWAWAEBSA-N 1 1 485.677 3.709 20 0 JHADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001313893739 1071491111 /nfs/dbraw/zinc/49/11/11/1071491111.db2.gz FQAHWFZTFULCOD-NRFANRHFSA-N 1 1 497.688 3.832 20 0 JHADMO 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CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@@H](COC)C2)C1 ZINC001313895562 1071497916 /nfs/dbraw/zinc/49/79/16/1071497916.db2.gz AAYNZIYDHOBIFK-VSKRKVRLSA-N 1 1 490.693 3.945 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313897574 1071502836 /nfs/dbraw/zinc/50/28/36/1071502836.db2.gz YXWLDVXIGFUTEB-MAUKXSAKSA-N 1 1 465.429 3.793 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313897573 1071502859 /nfs/dbraw/zinc/50/28/59/1071502859.db2.gz YXWLDVXIGFUTEB-CRAIPNDOSA-N 1 1 465.429 3.793 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001313896151 1071498658 /nfs/dbraw/zinc/49/86/58/1071498658.db2.gz MNEMYDASWDWFRA-RTWAWAEBSA-N 1 1 459.660 3.705 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313896149 1071498752 /nfs/dbraw/zinc/49/87/52/1071498752.db2.gz MNEMYDASWDWFRA-LEWJYISDSA-N 1 1 459.660 3.705 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001313895862 1071498797 /nfs/dbraw/zinc/49/87/97/1071498797.db2.gz LFAJOMIJYWEREA-REWPJTCUSA-N 1 1 482.673 3.815 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001313896072 1071498844 /nfs/dbraw/zinc/49/88/44/1071498844.db2.gz CSADNLCQMNKQSL-OALUTQOASA-N 1 1 495.441 3.810 20 0 JHADMO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001313896187 1071499420 /nfs/dbraw/zinc/49/94/20/1071499420.db2.gz NFXLCPXLXSAGAD-JOCHJYFZSA-N 1 1 470.662 3.756 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001313896187 1071499426 /nfs/dbraw/zinc/49/94/26/1071499426.db2.gz NFXLCPXLXSAGAD-JOCHJYFZSA-N 1 1 470.662 3.756 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313896634 1071500366 /nfs/dbraw/zinc/50/03/66/1071500366.db2.gz PGTHEENDGWAIFO-FPOVZHCZSA-N 1 1 457.619 3.698 20 0 JHADMO 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CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001313898755 1071505983 /nfs/dbraw/zinc/50/59/83/1071505983.db2.gz CNJRIDAZEODWBG-QHCPKHFHSA-N 1 1 452.647 3.702 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313899194 1071507362 /nfs/dbraw/zinc/50/73/62/1071507362.db2.gz GTTGRGXQMZAGLZ-DNQXCXABSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001313899631 1071507991 /nfs/dbraw/zinc/50/79/91/1071507991.db2.gz WOFGTPMFJYOJLI-IBGZPJMESA-N 1 1 473.065 3.923 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313902943 1071514337 /nfs/dbraw/zinc/51/43/37/1071514337.db2.gz JXGOLDHDEOZKLB-HSZRJFAPSA-N 1 1 482.673 3.698 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001313900997 1071510952 /nfs/dbraw/zinc/51/09/52/1071510952.db2.gz UEAHRRIUGAINMD-RBBKRZOGSA-N 1 1 458.695 3.826 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313901485 1071511741 /nfs/dbraw/zinc/51/17/41/1071511741.db2.gz RIKDIDUSTHAFBB-LZQZEXGQSA-N 1 1 455.500 3.648 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001313902651 1071514174 /nfs/dbraw/zinc/51/41/74/1071514174.db2.gz HTRSVLGSAZOXRU-NFBKMPQASA-N 1 1 465.646 3.787 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313903804 1071516789 /nfs/dbraw/zinc/51/67/89/1071516789.db2.gz SEGUCRSFEPKCKW-OALUTQOASA-N 1 1 459.038 3.776 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903984 1071517130 /nfs/dbraw/zinc/51/71/30/1071517130.db2.gz GJVYVCFFSQQHHT-HXUWFJFHSA-N 1 1 471.005 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313904529 1071518089 /nfs/dbraw/zinc/51/80/89/1071518089.db2.gz IYSOVNBKOFTOTM-RQBNJVACSA-N 1 1 489.064 3.908 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313904543 1071518546 /nfs/dbraw/zinc/51/85/46/1071518546.db2.gz QQNQBJPQBRZSRS-ZWKOTPCHSA-N 1 1 484.542 3.553 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313904690 1071519037 /nfs/dbraw/zinc/51/90/37/1071519037.db2.gz RYKQVMUSSQLJRG-WOJBJXKFSA-N 1 1 451.537 3.705 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001313906228 1071524002 /nfs/dbraw/zinc/52/40/02/1071524002.db2.gz VIIHABGSXASUGV-QHAWAJNXSA-N 1 1 498.697 3.934 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313906422 1071524205 /nfs/dbraw/zinc/52/42/05/1071524205.db2.gz QUAPQJMRPLRBIC-LJQANCHMSA-N 1 1 456.610 3.552 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313906628 1071524798 /nfs/dbraw/zinc/52/47/98/1071524798.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313906628 1071524807 /nfs/dbraw/zinc/52/48/07/1071524807.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313906629 1071524898 /nfs/dbraw/zinc/52/48/98/1071524898.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313906629 1071524905 /nfs/dbraw/zinc/52/49/05/1071524905.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 1 1 488.652 3.589 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313905560 1071521911 /nfs/dbraw/zinc/52/19/11/1071521911.db2.gz VMMXFGXZNMZUTJ-FBBABVLZSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313905641 1071522200 /nfs/dbraw/zinc/52/22/00/1071522200.db2.gz PXBGPIFCBYFOKS-RZUBCFFCSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313905942 1071522778 /nfs/dbraw/zinc/52/27/78/1071522778.db2.gz WHTUFNYZUHWMEO-CJFMBICVSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907237 1071526595 /nfs/dbraw/zinc/52/65/95/1071526595.db2.gz ZVNOYIJNKSMPMJ-ZJSXRUAMSA-N 1 1 463.573 3.718 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313907572 1071527997 /nfs/dbraw/zinc/52/79/97/1071527997.db2.gz IHTGNJGKXGLKEC-NVXWUHKLSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313907649 1071528191 /nfs/dbraw/zinc/52/81/91/1071528191.db2.gz JKISFLVLAYPQGU-FQEVSTJZSA-N 1 1 489.064 3.963 20 0 JHADMO CCn1cc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCC[N@H+]2CC)cn1 ZINC001313909033 1071531189 /nfs/dbraw/zinc/53/11/89/1071531189.db2.gz LZZHFOUCMOTTND-JOCHJYFZSA-N 1 1 451.619 3.893 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908536 1071530352 /nfs/dbraw/zinc/53/03/52/1071530352.db2.gz CYWDCPFCCNPEKI-VQTJNVASSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313908404 1071530412 /nfs/dbraw/zinc/53/04/12/1071530412.db2.gz NOXMOXVUWRDRHR-QGZVFWFLSA-N 1 1 484.041 3.625 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313909052 1071531711 /nfs/dbraw/zinc/53/17/11/1071531711.db2.gz MGBATELWVQUWKP-YADHBBJMSA-N 1 1 483.661 3.632 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313909049 1071531963 /nfs/dbraw/zinc/53/19/63/1071531963.db2.gz MGBATELWVQUWKP-FCHUYYIVSA-N 1 1 483.661 3.632 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313910723 1071536473 /nfs/dbraw/zinc/53/64/73/1071536473.db2.gz ZCVBJXNKKDQGTE-OAQYLSRUSA-N 1 1 457.667 3.798 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313910818 1071536495 /nfs/dbraw/zinc/53/64/95/1071536495.db2.gz HNBYUAFBMOTZEG-NJDAHSKKSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001313909757 1071533123 /nfs/dbraw/zinc/53/31/23/1071533123.db2.gz CQCMABIAIRJHKC-PWRODBHTSA-N 1 1 459.660 3.560 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001313910056 1071533966 /nfs/dbraw/zinc/53/39/66/1071533966.db2.gz UTBDXZZLSDPOBS-JOCHJYFZSA-N 1 1 452.647 3.871 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910623 1071535032 /nfs/dbraw/zinc/53/50/32/1071535032.db2.gz XQRCGXNDXDXMEO-NFBKMPQASA-N 1 1 496.681 3.739 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313911581 1071537688 /nfs/dbraw/zinc/53/76/88/1071537688.db2.gz DKFOIJGSRBMWDM-FQEVSTJZSA-N 1 1 470.637 3.942 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313912394 1071540081 /nfs/dbraw/zinc/54/00/81/1071540081.db2.gz IOQVAGVAUQGFTL-LPPUWEFUSA-N 1 1 477.694 3.835 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001315020515 1071540632 /nfs/dbraw/zinc/54/06/32/1071540632.db2.gz FPUYQFAGYYZOEA-UHFFFAOYSA-N 1 1 463.630 3.800 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 ZINC001313914260 1071544982 /nfs/dbraw/zinc/54/49/82/1071544982.db2.gz LZAAEESRTIQXHF-WXFUMESZSA-N 1 1 490.737 3.618 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCc1cnccn1 ZINC001313913762 1071545040 /nfs/dbraw/zinc/54/50/40/1071545040.db2.gz LSNRLEGSKHUCTJ-HSZRJFAPSA-N 1 1 463.630 3.817 20 0 JHADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313914004 1071545360 /nfs/dbraw/zinc/54/53/60/1071545360.db2.gz ORNVFUFMEWMTGJ-KNQAVFIVSA-N 1 1 486.636 3.736 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001313914152 1071546413 /nfs/dbraw/zinc/54/64/13/1071546413.db2.gz SCUDSNOPHRRXCK-YADHBBJMSA-N 1 1 474.719 3.922 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315024872 1071548196 /nfs/dbraw/zinc/54/81/96/1071548196.db2.gz IHUQHZJDXSUOCF-INIZCTEOSA-N 1 1 494.482 3.509 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913473 1071543459 /nfs/dbraw/zinc/54/34/59/1071543459.db2.gz POXJUBHCCVHDMW-YADHBBJMSA-N 1 1 454.619 3.777 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315025158 1071549244 /nfs/dbraw/zinc/54/92/44/1071549244.db2.gz CMTDEULZODXYCL-VWLOTQADSA-N 1 1 480.701 3.926 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313915490 1071550475 /nfs/dbraw/zinc/55/04/75/1071550475.db2.gz SQLKOSIHXKPWRN-QGZVFWFLSA-N 1 1 485.526 3.764 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920527 1071559210 /nfs/dbraw/zinc/55/92/10/1071559210.db2.gz KBWONYMJFKLFFX-KRWDZBQOSA-N 1 1 452.981 3.860 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001313921771 1071562489 /nfs/dbraw/zinc/56/24/89/1071562489.db2.gz SHDNMBTYULCULI-IBGZPJMESA-N 1 1 454.594 3.956 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C)s3)CC2)CC1 ZINC001313922367 1071563800 /nfs/dbraw/zinc/56/38/00/1071563800.db2.gz CNGMZNWMBPESIP-UHFFFAOYSA-N 1 1 472.703 3.764 20 0 JHADMO CCN1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313922731 1071565708 /nfs/dbraw/zinc/56/57/08/1071565708.db2.gz XOQBNJMZOVZXNI-QFIPXVFZSA-N 1 1 466.674 3.632 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313923024 1071566279 /nfs/dbraw/zinc/56/62/79/1071566279.db2.gz ZNPBSJVQHQXVFD-SFHVURJKSA-N 1 1 470.593 3.657 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCC4)n3C[C@@](C)(O)CCC(C)C)CC2)CC1 ZINC001313923424 1071566875 /nfs/dbraw/zinc/56/68/75/1071566875.db2.gz LOPWYHODZFNJMJ-MHZLTWQESA-N 1 1 488.721 3.503 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923919 1071568736 /nfs/dbraw/zinc/56/87/36/1071568736.db2.gz AVADEBNFYVMBNJ-UXHICEINSA-N 1 1 452.603 3.770 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925502 1071574213 /nfs/dbraw/zinc/57/42/13/1071574213.db2.gz RXUHUTNFZFVTQM-CPJSRVTESA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925727 1071574259 /nfs/dbraw/zinc/57/42/59/1071574259.db2.gz BMIJPVNWESIISA-ISKFKSNPSA-N 1 1 498.716 3.687 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927052 1071578717 /nfs/dbraw/zinc/57/87/17/1071578717.db2.gz ZCRAWWOCCROSFV-NHCUHLMSSA-N 1 1 494.606 3.827 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313928008 1071582660 /nfs/dbraw/zinc/58/26/60/1071582660.db2.gz MVZAQPSAUHJTGI-UKILVPOCSA-N 1 1 498.716 3.710 20 0 JHADMO CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929257 1071586608 /nfs/dbraw/zinc/58/66/08/1071586608.db2.gz FVQNHCDLCSFTDA-PMACEKPBSA-N 1 1 491.080 3.713 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313928679 1071584524 /nfs/dbraw/zinc/58/45/24/1071584524.db2.gz CGQIAZKQEKUAPV-VQTJNVASSA-N 1 1 467.593 3.985 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@H]2CCCO2)C[C@H]1C ZINC001313929854 1071587802 /nfs/dbraw/zinc/58/78/02/1071587802.db2.gz ATCYNFPJZJHPDJ-IAGOWNOFSA-N 1 1 498.491 3.885 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2scnc2C)C[C@@H]1C ZINC001313930244 1071588913 /nfs/dbraw/zinc/58/89/13/1071588913.db2.gz ANWZPXWPRDTEQI-ZDUSSCGKSA-N 1 1 464.437 3.574 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930623 1071590020 /nfs/dbraw/zinc/59/00/20/1071590020.db2.gz WCRVSNJUQJPQNK-SFHVURJKSA-N 1 1 458.701 3.963 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313930955 1071591114 /nfs/dbraw/zinc/59/11/14/1071591114.db2.gz OWCIMGJNWJHRBF-ROUUACIJSA-N 1 1 486.558 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC001313931495 1071591823 /nfs/dbraw/zinc/59/18/23/1071591823.db2.gz FATPEZOROUPNHH-HFZDXXHNSA-N 1 1 471.646 3.685 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594148 /nfs/dbraw/zinc/59/41/48/1071594148.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 1 1 478.483 3.687 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594152 /nfs/dbraw/zinc/59/41/52/1071594152.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 1 1 478.483 3.687 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001313932368 1071594852 /nfs/dbraw/zinc/59/48/52/1071594852.db2.gz VGXGZWWFNSEAHP-IRFCIJBXSA-N 1 1 489.064 3.860 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@H]1C ZINC001313932017 1071594963 /nfs/dbraw/zinc/59/49/63/1071594963.db2.gz GWSZPWWCDCZLTI-NLFFAJNJSA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313932378 1071595382 /nfs/dbraw/zinc/59/53/82/1071595382.db2.gz VHFOCDZAGNDMCH-SFTDATJTSA-N 1 1 486.636 3.880 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001313932658 1071595527 /nfs/dbraw/zinc/59/55/27/1071595527.db2.gz IOGLMEFRSWBYQS-ZMPRRUGASA-N 1 1 480.426 3.928 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596505 /nfs/dbraw/zinc/59/65/05/1071596505.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596513 /nfs/dbraw/zinc/59/65/13/1071596513.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313933147 1071596951 /nfs/dbraw/zinc/59/69/51/1071596951.db2.gz KDEUUHVUIBRMIR-LJQANCHMSA-N 1 1 484.645 3.884 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001313933051 1071596973 /nfs/dbraw/zinc/59/69/73/1071596973.db2.gz ZCKWVDDNGGBVOW-FYYLOGMGSA-N 1 1 484.689 3.676 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CC)C[C@H]1C ZINC001313933716 1071599075 /nfs/dbraw/zinc/59/90/75/1071599075.db2.gz QCBSPKUUUXRBGK-IIBYNOLFSA-N 1 1 450.425 3.707 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599718 /nfs/dbraw/zinc/59/97/18/1071599718.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 1 1 478.483 3.688 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599727 /nfs/dbraw/zinc/59/97/27/1071599727.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 1 1 478.483 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001313935089 1071604609 /nfs/dbraw/zinc/60/46/09/1071604609.db2.gz WFAJNGVLBVZBKE-OXQOHEQNSA-N 1 1 480.451 3.918 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001313935088 1071604708 /nfs/dbraw/zinc/60/47/08/1071604708.db2.gz WFAJNGVLBVZBKE-OXJNMPFZSA-N 1 1 480.451 3.918 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604881 /nfs/dbraw/zinc/60/48/81/1071604881.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 1 1 493.494 3.977 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604886 /nfs/dbraw/zinc/60/48/86/1071604886.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 1 1 493.494 3.977 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@@H]1C ZINC001313935688 1071606722 /nfs/dbraw/zinc/60/67/22/1071606722.db2.gz YZRRTKPMQRSVHW-YJBOKZPZSA-N 1 1 470.515 3.568 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313936191 1071607967 /nfs/dbraw/zinc/60/79/67/1071607967.db2.gz MUDNUZBQYKNXIS-QGZVFWFLSA-N 1 1 494.587 3.644 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(O)(CC)CC)C[C@H]1C ZINC001313936501 1071608570 /nfs/dbraw/zinc/60/85/70/1071608570.db2.gz PBOSWFUQTUGLLL-LJQANCHMSA-N 1 1 459.635 3.822 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313936472 1071608590 /nfs/dbraw/zinc/60/85/90/1071608590.db2.gz OLNJDCIBZDYXPK-INIZCTEOSA-N 1 1 487.004 3.598 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313936600 1071609115 /nfs/dbraw/zinc/60/91/15/1071609115.db2.gz GKRBIXMMRFBUOF-IFMALSPDSA-N 1 1 483.661 3.675 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](SC)C(C)(C)C)C[C@@H]1C ZINC001313937300 1071610941 /nfs/dbraw/zinc/61/09/41/1071610941.db2.gz LBJTVVIDKUMKEE-FPOVZHCZSA-N 1 1 486.734 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@H]1C ZINC001313938938 1071612731 /nfs/dbraw/zinc/61/27/31/1071612731.db2.gz YPWONNPKPXEZIX-CRAIPNDOSA-N 1 1 471.549 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313939293 1071612762 /nfs/dbraw/zinc/61/27/62/1071612762.db2.gz ABUYUAUIGCVYHQ-QGZVFWFLSA-N 1 1 455.525 3.529 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613491 /nfs/dbraw/zinc/61/34/91/1071613491.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 1 1 459.708 3.819 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613494 /nfs/dbraw/zinc/61/34/94/1071613494.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 1 1 459.708 3.819 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001313940523 1071614801 /nfs/dbraw/zinc/61/48/01/1071614801.db2.gz MYDRFENNPAOZRF-LJQANCHMSA-N 1 1 464.054 3.943 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313940980 1071616259 /nfs/dbraw/zinc/61/62/59/1071616259.db2.gz RETBGJMOTCOPIP-ACRUOGEOSA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCSC2)C[C@@H]1C ZINC001313941190 1071616322 /nfs/dbraw/zinc/61/63/22/1071616322.db2.gz AHVKQQVNRTZVGT-IRXDYDNUSA-N 1 1 480.476 3.903 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313941362 1071616866 /nfs/dbraw/zinc/61/68/66/1071616866.db2.gz BQNFHMVVQHPHRS-FQEVSTJZSA-N 1 1 465.646 3.890 20 0 JHADMO 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 1071620188 /nfs/dbraw/zinc/62/01/88/1071620188.db2.gz IREBHFPKNIRKRG-SESVDKBCSA-N 1 1 484.645 3.636 20 0 JHADMO CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942565 1071620872 /nfs/dbraw/zinc/62/08/72/1071620872.db2.gz KAAGIYXPJBITBY-XZOQPEGZSA-N 1 1 454.663 3.552 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001313942775 1071621345 /nfs/dbraw/zinc/62/13/45/1071621345.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 1 1 498.716 3.532 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001313942775 1071621346 /nfs/dbraw/zinc/62/13/46/1071621346.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 1 1 498.716 3.532 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622662 /nfs/dbraw/zinc/62/26/62/1071622662.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622663 /nfs/dbraw/zinc/62/26/63/1071622663.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 1 1 484.689 3.504 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946008 1071627816 /nfs/dbraw/zinc/62/78/16/1071627816.db2.gz XKHWJRKDNZVZLU-XZOQPEGZSA-N 1 1 454.663 3.907 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCc2ccccc2)C[C@H]1C ZINC001313943553 1071623088 /nfs/dbraw/zinc/62/30/88/1071623088.db2.gz STSMXDLIHSHXDK-OAQYLSRUSA-N 1 1 453.660 3.604 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCc2ccccc2)C[C@@H]1C ZINC001313943550 1071623325 /nfs/dbraw/zinc/62/33/25/1071623325.db2.gz STSMXDLIHSHXDK-NRFANRHFSA-N 1 1 453.660 3.604 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313943794 1071623928 /nfs/dbraw/zinc/62/39/28/1071623928.db2.gz WHCDSAQUYUAGSZ-JOCHJYFZSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944957 1071625687 /nfs/dbraw/zinc/62/56/87/1071625687.db2.gz KORBTBNCZFMSLP-IBGZPJMESA-N 1 1 479.044 3.769 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313946698 1071629935 /nfs/dbraw/zinc/62/99/35/1071629935.db2.gz TZOZGOIPQPOCOB-ZLNRFVROSA-N 1 1 468.690 3.776 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313947076 1071630822 /nfs/dbraw/zinc/63/08/22/1071630822.db2.gz VMXXWYPYAZUAIF-IBGZPJMESA-N 1 1 473.065 3.844 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947449 1071631633 /nfs/dbraw/zinc/63/16/33/1071631633.db2.gz HHLJVECSHAMBPP-PXDATVDWSA-N 1 1 484.689 3.907 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313947417 1071631715 /nfs/dbraw/zinc/63/17/15/1071631715.db2.gz HARVFOLXZNAHPN-KOSHJBKYSA-N 1 1 459.660 3.925 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001313947981 1071632156 /nfs/dbraw/zinc/63/21/56/1071632156.db2.gz IXJAEMTYTJWXBS-KRWDZBQOSA-N 1 1 498.118 3.579 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949494 1071636409 /nfs/dbraw/zinc/63/64/09/1071636409.db2.gz JANXFUBAPMLFBH-LJQANCHMSA-N 1 1 460.070 3.594 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313949757 1071636903 /nfs/dbraw/zinc/63/69/03/1071636903.db2.gz RHVJKIMNIJFBSL-KRWDZBQOSA-N 1 1 467.445 3.790 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001313950079 1071637538 /nfs/dbraw/zinc/63/75/38/1071637538.db2.gz SZSVEDOQAYVWFS-WWPVKYPJSA-N 1 1 455.647 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001313950771 1071639945 /nfs/dbraw/zinc/63/99/45/1071639945.db2.gz WXIQNMOHCJDOLV-GOSISDBHSA-N 1 1 470.021 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951222 1071641182 /nfs/dbraw/zinc/64/11/82/1071641182.db2.gz RMRWJTSLOVLBOR-PWRODBHTSA-N 1 1 490.693 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952189 1071645158 /nfs/dbraw/zinc/64/51/58/1071645158.db2.gz OPHXNNRUXKJVEI-NHCUHLMSSA-N 1 1 486.709 3.740 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951366 1071641727 /nfs/dbraw/zinc/64/17/27/1071641727.db2.gz HBKBOMLXRAGMQZ-NRFANRHFSA-N 1 1 470.687 3.619 20 0 JHADMO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952201 1071644326 /nfs/dbraw/zinc/64/43/26/1071644326.db2.gz YFBMCLUMKVJQBQ-FYYLOGMGSA-N 1 1 484.664 3.914 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313952048 1071644451 /nfs/dbraw/zinc/64/44/51/1071644451.db2.gz XHMOHPOCJFXDIP-WOJBJXKFSA-N 1 1 475.081 3.876 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001313952207 1071644932 /nfs/dbraw/zinc/64/49/32/1071644932.db2.gz YGPAIRYSHDBDAX-GOSISDBHSA-N 1 1 474.078 3.965 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952619 1071646523 /nfs/dbraw/zinc/64/65/23/1071646523.db2.gz GWTNOCGYXQAGSQ-FQEVSTJZSA-N 1 1 498.075 3.912 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954196 1071650559 /nfs/dbraw/zinc/65/05/59/1071650559.db2.gz AZBHPWJQUFMUJI-IBGZPJMESA-N 1 1 452.638 3.766 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954574 1071651733 /nfs/dbraw/zinc/65/17/33/1071651733.db2.gz BXOGHWDAHNKYQA-VQTJNVASSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954433 1071651758 /nfs/dbraw/zinc/65/17/58/1071651758.db2.gz QSVXKUHVKNNUCN-JOCHJYFZSA-N 1 1 460.692 3.944 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313955697 1071656281 /nfs/dbraw/zinc/65/62/81/1071656281.db2.gz YRCAIUKTPNHUCS-UHFFFAOYSA-N 1 1 497.432 3.971 20 0 JHADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313956809 1071658115 /nfs/dbraw/zinc/65/81/15/1071658115.db2.gz NGLHBPVWODLVIC-OAQYLSRUSA-N 1 1 484.689 3.896 20 0 JHADMO CCN1CC[NH+](CCCn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313956702 1071658128 /nfs/dbraw/zinc/65/81/28/1071658128.db2.gz JHMRZSKFNWLASW-UHFFFAOYSA-N 1 1 481.689 3.655 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956863 1071658697 /nfs/dbraw/zinc/65/86/97/1071658697.db2.gz NZVGRRMIWWBOCP-QHCPKHFHSA-N 1 1 481.733 3.694 20 0 JHADMO CCn1nc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313960873 1071671691 /nfs/dbraw/zinc/67/16/91/1071671691.db2.gz PGOABXASQLSRFB-UHFFFAOYSA-N 1 1 494.669 3.807 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001313961507 1071672706 /nfs/dbraw/zinc/67/27/06/1071672706.db2.gz UPOFIOPBFFVETF-HFZDXXHNSA-N 1 1 488.652 3.590 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313961525 1071672905 /nfs/dbraw/zinc/67/29/05/1071672905.db2.gz UFOQIVXXJLYBPQ-DEOSSOPVSA-N 1 1 486.730 3.768 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313961663 1071673330 /nfs/dbraw/zinc/67/33/30/1071673330.db2.gz WIKWUQDDZIXHQD-UHFFFAOYSA-N 1 1 468.049 3.581 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001313964475 1071680557 /nfs/dbraw/zinc/68/05/57/1071680557.db2.gz ZFHNNZAOGJPXQH-OAQYLSRUSA-N 1 1 496.700 3.563 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313977382 1071710780 /nfs/dbraw/zinc/71/07/80/1071710780.db2.gz MPYGVLYDARVAEQ-MOPGFXCFSA-N 1 1 488.702 3.660 20 0 JHADMO CCNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001313987042 1071724747 /nfs/dbraw/zinc/72/47/47/1071724747.db2.gz NRWUTKVMLATKQH-XMMPIXPASA-N 1 1 482.673 3.874 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001313993785 1071728276 /nfs/dbraw/zinc/72/82/76/1071728276.db2.gz NWGYKTFURBXTJA-PKTZIBPZSA-N 1 1 467.662 3.546 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314013691 1071751591 /nfs/dbraw/zinc/75/15/91/1071751591.db2.gz VZBQIYZJWNWGSG-QFIPXVFZSA-N 1 1 483.661 3.826 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314012568 1071748322 /nfs/dbraw/zinc/74/83/22/1071748322.db2.gz KPQJCNAKFDTJJL-FCHUYYIVSA-N 1 1 490.693 3.884 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001314015060 1071756745 /nfs/dbraw/zinc/75/67/45/1071756745.db2.gz BCZXAIYTMHODEJ-GOSISDBHSA-N 1 1 492.615 3.935 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314022449 1071776369 /nfs/dbraw/zinc/77/63/69/1071776369.db2.gz LXFRMSLJMTVFOG-XZOQPEGZSA-N 1 1 482.673 3.852 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023759 1071779749 /nfs/dbraw/zinc/77/97/49/1071779749.db2.gz IHPXCWJRUWHYPP-FGZHOGPDSA-N 1 1 498.672 3.818 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314025256 1071785636 /nfs/dbraw/zinc/78/56/36/1071785636.db2.gz LKDNTRDWUCEAEV-MOPGFXCFSA-N 1 1 490.599 3.546 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001314027282 1071792274 /nfs/dbraw/zinc/79/22/74/1071792274.db2.gz DNWRCBRNHSQYDD-WOJBJXKFSA-N 1 1 458.607 3.682 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314028776 1071796323 /nfs/dbraw/zinc/79/63/23/1071796323.db2.gz GRKORXRZDSGQGQ-NHCUHLMSSA-N 1 1 478.682 3.991 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](CC)C2CC2)C1 ZINC001314035906 1071824758 /nfs/dbraw/zinc/82/47/58/1071824758.db2.gz YJUHHYUHQOFANM-LJQANCHMSA-N 1 1 461.010 3.798 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001314038326 1071833957 /nfs/dbraw/zinc/83/39/57/1071833957.db2.gz XDPMPTYTYWNYJJ-GBESFXJTSA-N 1 1 488.608 3.755 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001314045104 1071859357 /nfs/dbraw/zinc/85/93/57/1071859357.db2.gz YMYJYNHPLLFFPD-YADHBBJMSA-N 1 1 484.645 3.673 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073633 1071927299 /nfs/dbraw/zinc/92/72/99/1071927299.db2.gz FRYIUHHUPDQSES-FNZWTVRRSA-N 1 1 471.646 3.955 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)C3CCCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001314090419 1071967140 /nfs/dbraw/zinc/96/71/40/1071967140.db2.gz BPOQBTDYSCUPIR-IPVFLDMMSA-N 1 1 477.694 3.977 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CCC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CCOC1 ZINC001314093505 1071971410 /nfs/dbraw/zinc/97/14/10/1071971410.db2.gz ZWSMDDIQDRMDQW-HFZDXXHNSA-N 1 1 455.647 3.859 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)O[C@@H](CC)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001314104254 1071992282 /nfs/dbraw/zinc/99/22/82/1071992282.db2.gz SEQUVOAAAFZUCI-RCSBWOJUSA-N 1 1 485.673 3.822 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CC(F)(F)F)CCOC1 ZINC001314121932 1072025327 /nfs/dbraw/zinc/02/53/27/1072025327.db2.gz JRFQGDYAZUVIRW-BBTUJRGHSA-N 1 1 459.557 3.583 20 0 JHADMO CCO[C@]1(c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314139101 1072052060 /nfs/dbraw/zinc/05/20/60/1072052060.db2.gz GLQDWHANBVMEKD-LIKDZFNVSA-N 1 1 477.694 3.692 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314143730 1072059225 /nfs/dbraw/zinc/05/92/25/1072059225.db2.gz WOBILGBXDPGFHW-KCWPFWIISA-N 1 1 485.673 3.682 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCO[C@@H](c4ccccc4Cl)C3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001314144164 1072060655 /nfs/dbraw/zinc/06/06/55/1072060655.db2.gz BVGRSTJZNYLQLJ-RDGATRHJSA-N 1 1 492.064 3.892 20 0 JHADMO CCc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2C[C@](C)(O)CC)cc1 ZINC001305926239 1068222132 /nfs/dbraw/zinc/22/21/32/1068222132.db2.gz PSIKHYQBUKAPHJ-CAKYRVLISA-N 1 1 479.673 3.921 20 0 JHADMO CCc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305927408 1068224836 /nfs/dbraw/zinc/22/48/36/1068224836.db2.gz PTMCMMSVTMCATN-YADHBBJMSA-N 1 1 468.690 3.785 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001305931352 1068230916 /nfs/dbraw/zinc/23/09/16/1068230916.db2.gz CWSSIVOYJYBYNK-TUACAJSNSA-N 1 1 455.647 3.606 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(CC)CC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001305936590 1068239480 /nfs/dbraw/zinc/23/94/80/1068239480.db2.gz YWKCLNAWIIHBEU-OAQYLSRUSA-N 1 1 480.579 3.650 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001305937632 1068242563 /nfs/dbraw/zinc/24/25/63/1068242563.db2.gz NXBIPOSLNWMOTP-UXHICEINSA-N 1 1 473.687 3.641 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001305937821 1068242946 /nfs/dbraw/zinc/24/29/46/1068242946.db2.gz WXALMINUUWYNCC-UHFFFAOYSA-N 1 1 466.674 3.982 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001305941802 1068252046 /nfs/dbraw/zinc/25/20/46/1068252046.db2.gz NPKKQHNFHCGJNV-NMMYMHLASA-N 1 1 452.647 3.733 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)N(CC)CC)CC3)n2CC[N@H+](C)[C@H](C)CC)cc1 ZINC001305942350 1068253665 /nfs/dbraw/zinc/25/36/65/1068253665.db2.gz GOQGHHVMIGMDTI-OAQYLSRUSA-N 1 1 469.678 3.822 20 0 JHADMO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001305945676 1068259516 /nfs/dbraw/zinc/25/95/16/1068259516.db2.gz MAAAIFPKJJPZMF-QFIPXVFZSA-N 1 1 452.647 3.687 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](OC)[C@@H](C)CC)cc1 ZINC001305946424 1068261110 /nfs/dbraw/zinc/26/11/10/1068261110.db2.gz TVOSUXPWOFONAU-WIOPSUGQSA-N 1 1 496.700 3.703 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](OC)[C@@H](C)CC)cc1 ZINC001305946424 1068261126 /nfs/dbraw/zinc/26/11/26/1068261126.db2.gz TVOSUXPWOFONAU-WIOPSUGQSA-N 1 1 496.700 3.703 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCc2csc(C)n2)cc1 ZINC001305950308 1068273326 /nfs/dbraw/zinc/27/33/26/1068273326.db2.gz NXEIIJQNJAKNSI-GOSISDBHSA-N 1 1 454.644 3.672 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCC[N@@H+](C)C(C)C ZINC001305978376 1068319346 /nfs/dbraw/zinc/31/93/46/1068319346.db2.gz FCITWROYQNMMPH-OFFJZUQKSA-N 1 1 455.647 3.747 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305982711 1068328290 /nfs/dbraw/zinc/32/82/90/1068328290.db2.gz MPNSZRQLNUMPAU-XJUOHMSHSA-N 1 1 455.647 3.749 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN1CCOCC1(C)C ZINC001305983643 1068330113 /nfs/dbraw/zinc/33/01/13/1068330113.db2.gz AAORLUCUVZLANT-UHFFFAOYSA-N 1 1 498.716 3.841 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001305984754 1068333439 /nfs/dbraw/zinc/33/34/39/1068333439.db2.gz IULUCQUGETZOJW-UHFFFAOYSA-N 1 1 482.673 3.646 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1nc(C)c(C)s1 ZINC001305988358 1068344697 /nfs/dbraw/zinc/34/46/97/1068344697.db2.gz KWOLUVXCUKQPQX-SFHVURJKSA-N 1 1 484.670 3.698 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCCn1cc[nH+]c1C ZINC001305988700 1068346381 /nfs/dbraw/zinc/34/63/81/1068346381.db2.gz CUVDDVXPYZDVFD-KNQAVFIVSA-N 1 1 452.603 3.612 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCS[C@H](CC)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305991107 1068352315 /nfs/dbraw/zinc/35/23/15/1068352315.db2.gz WQQNSTXACKEGIR-RBBKRZOGSA-N 1 1 473.687 3.720 20 0 JHADMO CCc1cnc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001305995808 1068359440 /nfs/dbraw/zinc/35/94/40/1068359440.db2.gz OPJGFPYNZJEPAP-KDURUIRLSA-N 1 1 483.686 3.807 20 0 JHADMO 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CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306450388 1068968855 /nfs/dbraw/zinc/96/88/55/1068968855.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 1 1 482.717 3.731 20 0 JHADMO CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306450388 1068968864 /nfs/dbraw/zinc/96/88/64/1068968864.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 1 1 482.717 3.731 20 0 JHADMO CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(O)(CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001306451820 1068971669 /nfs/dbraw/zinc/97/16/69/1068971669.db2.gz NOOIRSSOBCFCEP-SIKLNZKXSA-N 1 1 492.064 3.609 20 0 JHADMO CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)nc2)CC[N@H+]1CCOC ZINC001306451834 1068971761 /nfs/dbraw/zinc/97/17/61/1068971761.db2.gz NUAPZPQOJZKYES-JOCHJYFZSA-N 1 1 485.032 3.809 20 0 JHADMO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001306452376 1068972961 /nfs/dbraw/zinc/97/29/61/1068972961.db2.gz PCEQCHYKJKMSFY-QHCPKHFHSA-N 1 1 486.730 3.832 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CC)C[C@@H](C)O1 ZINC001306456307 1068980897 /nfs/dbraw/zinc/98/08/97/1068980897.db2.gz AZIKKTOFQWKRDB-MHTWAQMVSA-N 1 1 476.666 3.838 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc[nH+]c2C)CCS1 ZINC001306457887 1068987651 /nfs/dbraw/zinc/98/76/51/1068987651.db2.gz SHOJSPMRVMAEDN-MOPGFXCFSA-N 1 1 475.663 3.887 20 0 JHADMO CC/C=C\Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001306462307 1068998026 /nfs/dbraw/zinc/99/80/26/1068998026.db2.gz HKBVIXTXZSUMFY-BWPUHZKTSA-N 1 1 450.631 3.731 20 0 JHADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001306467917 1069008811 /nfs/dbraw/zinc/00/88/11/1069008811.db2.gz RQLXTGXXWIOFHS-VDVKDMFPSA-N 1 1 485.673 3.894 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)C(C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306468298 1069009314 /nfs/dbraw/zinc/00/93/14/1069009314.db2.gz XJOVBXUTAYHVCR-QHAWAJNXSA-N 1 1 478.682 3.990 20 0 JHADMO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Br)c1F ZINC001310552904 1069013201 /nfs/dbraw/zinc/01/32/01/1069013201.db2.gz QHIQEQMGLRWTDV-CQSZACIVSA-N 1 1 450.308 3.771 20 0 JHADMO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)ccc1Br ZINC001310567805 1069021941 /nfs/dbraw/zinc/02/19/41/1069021941.db2.gz SNSPYLHHOWQOJW-ROUUACIJSA-N 1 1 450.308 3.942 20 0 JHADMO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)ccc1Br ZINC001310567805 1069021951 /nfs/dbraw/zinc/02/19/51/1069021951.db2.gz SNSPYLHHOWQOJW-ROUUACIJSA-N 1 1 450.308 3.942 20 0 JHADMO CC/C=C\Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001306488455 1069027309 /nfs/dbraw/zinc/02/73/09/1069027309.db2.gz ZDXAVMRBMKEYJC-FPLPWBNLSA-N 1 1 463.630 3.745 20 0 JHADMO CN(C(=O)Nc1nc2ccc(I)cc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001310597369 1069041253 /nfs/dbraw/zinc/04/12/53/1069041253.db2.gz HEBSLWPZJCFGDL-FUNVUKJBSA-N 1 1 456.353 3.990 20 0 JHADMO COCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC001310606522 1069048671 /nfs/dbraw/zinc/04/86/71/1069048671.db2.gz VDMAHADRZDLAGP-SIKLNZKXSA-N 1 1 450.583 3.644 20 0 JHADMO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001310648947 1069083916 /nfs/dbraw/zinc/08/39/16/1069083916.db2.gz KLHYBAHMUQFFFI-XUZZJYLKSA-N 1 1 450.583 3.590 20 0 JHADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306506295 1069085628 /nfs/dbraw/zinc/08/56/28/1069085628.db2.gz IWWLSFRPWCDJOQ-GGAORHGYSA-N 1 1 481.689 3.660 20 0 JHADMO CCOC(=O)c1nc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)sc1C(C)=O ZINC001310655315 1069088630 /nfs/dbraw/zinc/08/86/30/1069088630.db2.gz CIXMLDXRFKHVNL-CRAIPNDOSA-N 1 1 458.584 3.945 20 0 JHADMO CCN(C(=O)c1cc(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)ccc1Cl)C(C)C ZINC001310668895 1069098261 /nfs/dbraw/zinc/09/82/61/1069098261.db2.gz LZMWDVJAVFGBDA-SFHVURJKSA-N 1 1 452.043 3.606 20 0 JHADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001306509659 1069099041 /nfs/dbraw/zinc/09/90/41/1069099041.db2.gz YPPDTAJTWNOHBQ-NHCUHLMSSA-N 1 1 487.718 3.639 20 0 JHADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001306509658 1069099067 /nfs/dbraw/zinc/09/90/67/1069099067.db2.gz YPPDTAJTWNOHBQ-LEWJYISDSA-N 1 1 487.718 3.639 20 0 JHADMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001306510986 1069103725 /nfs/dbraw/zinc/10/37/25/1069103725.db2.gz ZNHDTMUHMRTEEI-SFHVURJKSA-N 1 1 490.599 3.916 20 0 JHADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306511744 1069106204 /nfs/dbraw/zinc/10/62/04/1069106204.db2.gz APMJLPPZEZPWBJ-HXUWFJFHSA-N 1 1 470.637 3.625 20 0 JHADMO Cc1cc(Cc2cnc(NC(=O)NCC[N@H+]3CCCOCC3)s2)ccc1Br ZINC001310693978 1069115633 /nfs/dbraw/zinc/11/56/33/1069115633.db2.gz KZLNETONADWSCQ-UHFFFAOYSA-N 1 1 453.406 3.649 20 0 JHADMO CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2)CC1 ZINC001310695697 1069116975 /nfs/dbraw/zinc/11/69/75/1069116975.db2.gz RGNIAWXCLHOZPA-UHFFFAOYSA-N 1 1 453.587 3.942 20 0 JHADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@@H](CC)[N@H+]2CCc3ccccc3C2)C1 ZINC001306517559 1069128091 /nfs/dbraw/zinc/12/80/91/1069128091.db2.gz KOHBBEZWXHRMEP-XUZZJYLKSA-N 1 1 466.674 3.810 20 0 JHADMO Cc1nc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)sc1Cc1ccc(F)cc1F ZINC001310740139 1069143684 /nfs/dbraw/zinc/14/36/84/1069143684.db2.gz QFBCAHCSJRPRJV-UHFFFAOYSA-N 1 1 451.587 3.858 20 0 JHADMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1cc(N2CCOCC2)ccc1Br ZINC001310743867 1069146223 /nfs/dbraw/zinc/14/62/23/1069146223.db2.gz PFGQOOIJBXNLEU-QGZVFWFLSA-N 1 1 451.409 3.529 20 0 JHADMO O=C(CCOc1ccccc1)N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001306524792 1069150744 /nfs/dbraw/zinc/15/07/44/1069150744.db2.gz RCBYFOKXSMERKY-DEOSSOPVSA-N 1 1 455.643 3.855 20 0 JHADMO COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC001310797754 1069167116 /nfs/dbraw/zinc/16/71/16/1069167116.db2.gz RRSFWSCKWMDOPB-IBGZPJMESA-N 1 1 458.584 3.506 20 0 JHADMO CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2)ccn1 ZINC001310818712 1069176686 /nfs/dbraw/zinc/17/66/86/1069176686.db2.gz JMMOZWXMHJGVJH-KOSHJBKYSA-N 1 1 459.550 3.876 20 0 JHADMO COC(=O)c1cc(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc2[nH]ccc21 ZINC001310830094 1069182581 /nfs/dbraw/zinc/18/25/81/1069182581.db2.gz BQVQYYDDLPPGRJ-UHFFFAOYSA-N 1 1 455.946 3.552 20 0 JHADMO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001306543569 1069194961 /nfs/dbraw/zinc/19/49/61/1069194961.db2.gz VKNBXBRBINOZMY-JJTGBXKASA-N 1 1 454.663 3.906 20 0 JHADMO C[N@@H+](CCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)C1CCCCC1 ZINC001310874220 1069202291 /nfs/dbraw/zinc/20/22/91/1069202291.db2.gz FCCHQUNNVGZVSW-UHFFFAOYSA-N 1 1 457.388 3.811 20 0 JHADMO CCC[C@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001306546525 1069204039 /nfs/dbraw/zinc/20/40/39/1069204039.db2.gz ZHFJHRVJHUIJLQ-IDISGSTGSA-N 1 1 485.673 3.660 20 0 JHADMO COC(=O)[C@@H]1CCc2sc(NC(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC001310903308 1069216370 /nfs/dbraw/zinc/21/63/70/1069216370.db2.gz YDHRZMVYYQJRDX-BHIYHBOVSA-N 1 1 456.612 3.843 20 0 JHADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001306555389 1069222905 /nfs/dbraw/zinc/22/29/05/1069222905.db2.gz VELOEFJOTNDONN-REWPJTCUSA-N 1 1 486.636 3.533 20 0 JHADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001310929684 1069225293 /nfs/dbraw/zinc/22/52/93/1069225293.db2.gz KXNGPWIJUBDNES-BVZFJXPGSA-N 1 1 455.603 3.592 20 0 JHADMO CC[C@@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC001310932704 1069225982 /nfs/dbraw/zinc/22/59/82/1069225982.db2.gz VPQWOTRCHJWQCR-ROUUACIJSA-N 1 1 458.525 3.578 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306557793 1069227428 /nfs/dbraw/zinc/22/74/28/1069227428.db2.gz WSYAEIYJJAPFTF-SFTDATJTSA-N 1 1 452.647 3.833 20 0 JHADMO 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 1069228665 /nfs/dbraw/zinc/22/86/65/1069228665.db2.gz TVHNZVXGQXRFBJ-NXHRZFHOSA-N 1 1 458.525 3.794 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001306564768 1069233116 /nfs/dbraw/zinc/23/31/16/1069233116.db2.gz GSCDGOJZAJXPKM-KRWDZBQOSA-N 1 1 453.616 3.670 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCc2sccc2C1 ZINC001306564768 1069233124 /nfs/dbraw/zinc/23/31/24/1069233124.db2.gz GSCDGOJZAJXPKM-KRWDZBQOSA-N 1 1 453.616 3.670 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306565938 1069233521 /nfs/dbraw/zinc/23/35/21/1069233521.db2.gz GFOUKAOFXSHGAA-VLIAUNLRSA-N 1 1 454.388 3.538 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001306567182 1069234583 /nfs/dbraw/zinc/23/45/83/1069234583.db2.gz PIZXJBQRLAVWBA-UXHICEINSA-N 1 1 461.614 3.997 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001306567573 1069235413 /nfs/dbraw/zinc/23/54/13/1069235413.db2.gz QXESMGHDSMOXLH-IEBWSBKVSA-N 1 1 470.021 3.945 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+](C)C1CCCC1 ZINC001306573115 1069240658 /nfs/dbraw/zinc/24/06/58/1069240658.db2.gz VXTBATCMIIQYQW-SFHVURJKSA-N 1 1 451.619 3.691 20 0 JHADMO CCC[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001306576381 1069242147 /nfs/dbraw/zinc/24/21/47/1069242147.db2.gz ICYMPTYFFFRUGK-UFYCRDLUSA-N 1 1 487.649 3.985 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306580712 1069245508 /nfs/dbraw/zinc/24/55/08/1069245508.db2.gz IRXLSGRNYXRAFB-LEWJYISDSA-N 1 1 453.635 3.642 20 0 JHADMO CS(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC001311069155 1069263757 /nfs/dbraw/zinc/26/37/57/1069263757.db2.gz PNOACGTTYBKNQC-UHFFFAOYSA-N 1 1 457.383 3.578 20 0 JHADMO COC(=O)c1c(C)sc(C)c1NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311148864 1069283999 /nfs/dbraw/zinc/28/39/99/1069283999.db2.gz UQRHWTLOPDQMCB-UHFFFAOYSA-N 1 1 450.992 3.749 20 0 JHADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001311156803 1069286146 /nfs/dbraw/zinc/28/61/46/1069286146.db2.gz FZLDKFWTFAYYGO-HNNXBMFYSA-N 1 1 451.365 3.699 20 0 JHADMO O=C(NCCNc1cccc(Br)c1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001311164785 1069287911 /nfs/dbraw/zinc/28/79/11/1069287911.db2.gz ZADDLRVRVXPPMP-NRFANRHFSA-N 1 1 458.404 3.967 20 0 JHADMO CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612480 1069290679 /nfs/dbraw/zinc/29/06/79/1069290679.db2.gz QZNGFWIGNVNDMV-SIKLNZKXSA-N 1 1 499.704 3.543 20 0 JHADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001311246319 1069307296 /nfs/dbraw/zinc/30/72/96/1069307296.db2.gz JXWFOOIUWOPLPI-SFHVURJKSA-N 1 1 459.616 3.985 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CC[N@H+]1CCOC ZINC001306621066 1069308219 /nfs/dbraw/zinc/30/82/19/1069308219.db2.gz VVRFZQVMKYGZGB-DLBZAZTESA-N 1 1 498.491 3.885 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@H](c4ncn5c4cccc5Br)C3)c2)CC1 ZINC001164416682 718890859 /nfs/dbraw/zinc/89/08/59/718890859.db2.gz FPRUUBVGDGAQNE-IBGZPJMESA-N 1 1 472.387 3.543 20 0 JHADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164433851 718978529 /nfs/dbraw/zinc/97/85/29/718978529.db2.gz NOXDIEACZUTYFZ-CLOONOSVSA-N 1 1 470.639 3.714 20 0 JHADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164432063 718978719 /nfs/dbraw/zinc/97/87/19/718978719.db2.gz FLMLPXYZJBYIBF-KOSHJBKYSA-N 1 1 458.628 3.843 20 0 JHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164433852 718978757 /nfs/dbraw/zinc/97/87/57/718978757.db2.gz NOXDIEACZUTYFZ-DFBJGRDBSA-N 1 1 470.639 3.714 20 0 JHADMO COCCOc1cc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2cc1OCCOC ZINC001164625155 719063293 /nfs/dbraw/zinc/06/32/93/719063293.db2.gz MWWASNUHSLCTJM-RCZVLFRGSA-N 1 1 492.620 3.781 20 0 JHADMO CC(=O)Oc1cc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2cc1OC(C)=O ZINC001164626749 719089273 /nfs/dbraw/zinc/08/92/73/719089273.db2.gz IQRKSUQMQPHJNF-REWPJTCUSA-N 1 1 460.534 3.581 20 0 JHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)CC2 ZINC001164650358 719316177 /nfs/dbraw/zinc/31/61/77/719316177.db2.gz CEGMEARCYKCYGL-UHFFFAOYSA-N 1 1 490.580 3.562 20 0 JHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164651991 719318390 /nfs/dbraw/zinc/31/83/90/719318390.db2.gz IUPWNSDLLIYHDU-UHFFFAOYSA-N 1 1 455.966 3.772 20 0 JHADMO CCOC[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164664795 719363045 /nfs/dbraw/zinc/36/30/45/719363045.db2.gz RTLQDFLPGWBLNE-JOCHJYFZSA-N 1 1 458.610 3.782 20 0 JHADMO CCOC[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164664795 719363051 /nfs/dbraw/zinc/36/30/51/719363051.db2.gz RTLQDFLPGWBLNE-JOCHJYFZSA-N 1 1 458.610 3.782 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCC(C)CC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690266 719742619 /nfs/dbraw/zinc/74/26/19/719742619.db2.gz XMWWDRGRQMCFFX-UHFFFAOYSA-N 1 1 496.725 3.593 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164689397 719742703 /nfs/dbraw/zinc/74/27/03/719742703.db2.gz FFHLXOMSCHFHFT-UHFFFAOYSA-N 1 1 455.962 3.584 20 0 JHADMO Fc1cccnc1N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164692074 719759906 /nfs/dbraw/zinc/75/99/06/719759906.db2.gz RLASTIORAWEUCC-AJTFRIOCSA-N 1 1 459.569 3.833 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692091 719813811 /nfs/dbraw/zinc/81/38/11/719813811.db2.gz LMJMGIMSDICRNR-SFHVURJKSA-N 1 1 477.700 3.948 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC001164704669 719846629 /nfs/dbraw/zinc/84/66/29/719846629.db2.gz SHAJESCJTDGWSG-HOYKHHGWSA-N 1 1 452.580 3.591 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001164702625 719847856 /nfs/dbraw/zinc/84/78/56/719847856.db2.gz OHGJEJKFFSXJIV-DCFHFQCYSA-N 1 1 494.567 3.677 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2F)nc2ccc(C)cc21 ZINC001164705130 719859097 /nfs/dbraw/zinc/85/90/97/719859097.db2.gz SZGWDKZHXFEFNJ-UZTOHYMASA-N 1 1 478.568 3.977 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC001164704361 719867063 /nfs/dbraw/zinc/86/70/63/719867063.db2.gz LDZQBXIXTJXNED-KDYSTLNUSA-N 1 1 460.578 3.838 20 0 JHADMO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164707755 719906160 /nfs/dbraw/zinc/90/61/60/719906160.db2.gz XLGYIZJNUMIPDO-UHFFFAOYSA-N 1 1 457.383 3.503 20 0 JHADMO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164707755 719906161 /nfs/dbraw/zinc/90/61/61/719906161.db2.gz XLGYIZJNUMIPDO-UHFFFAOYSA-N 1 1 457.383 3.503 20 0 JHADMO Clc1nnc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1N1CCOCC1 ZINC001164707720 719908632 /nfs/dbraw/zinc/90/86/32/719908632.db2.gz WHEMSDXATSLCBK-UHFFFAOYSA-N 1 1 484.453 3.553 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CC(=O)N5c3cnn(C)c3)n2)CCC4)CC1 ZINC001164713315 720074589 /nfs/dbraw/zinc/07/45/89/720074589.db2.gz SJRKLQYPUQJMGK-WOJBJXKFSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164709656 720096197 /nfs/dbraw/zinc/09/61/97/720096197.db2.gz BZEPSOMWHWUNID-GOSISDBHSA-N 1 1 451.949 3.886 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)CC2 ZINC001164712549 720097692 /nfs/dbraw/zinc/09/76/92/720097692.db2.gz WYOSYKJBOOSYLU-HXUWFJFHSA-N 1 1 496.011 3.972 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164809165 720101986 /nfs/dbraw/zinc/10/19/86/720101986.db2.gz HLCJNQRFSMDYPG-HOYKHHGWSA-N 1 1 456.612 3.567 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164716405 720107346 /nfs/dbraw/zinc/10/73/46/720107346.db2.gz KYYZKDSIZRDOJA-SFHVURJKSA-N 1 1 458.006 3.798 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164716972 720113371 /nfs/dbraw/zinc/11/33/71/720113371.db2.gz MPLHTESLRDAPNZ-HSZRJFAPSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164716987 720119395 /nfs/dbraw/zinc/11/93/95/720119395.db2.gz MVUGSTNDKYPTBK-QFIPXVFZSA-N 1 1 451.615 3.512 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164719504 720121754 /nfs/dbraw/zinc/12/17/54/720121754.db2.gz XQWANAKAUBVLCW-FQEVSTJZSA-N 1 1 463.582 3.550 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164712210 720128275 /nfs/dbraw/zinc/12/82/75/720128275.db2.gz KWSZQXBKGWZMOQ-IBGZPJMESA-N 1 1 451.546 3.680 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)CC2 ZINC001164712481 720136664 /nfs/dbraw/zinc/13/66/64/720136664.db2.gz MNWAYDGZPHGLKP-LJQANCHMSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164712255 720144318 /nfs/dbraw/zinc/14/43/18/720144318.db2.gz LYDDYNYLCZLDFO-QFIPXVFZSA-N 1 1 460.578 3.924 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)C2)C1 ZINC001164720147 720231875 /nfs/dbraw/zinc/23/18/75/720231875.db2.gz WMHFRRDAVMCEQR-SANMLTNESA-N 1 1 498.002 3.754 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)C2)C1 ZINC001164720147 720231893 /nfs/dbraw/zinc/23/18/93/720231893.db2.gz WMHFRRDAVMCEQR-SANMLTNESA-N 1 1 498.002 3.754 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C2)C1 ZINC001164716838 720231914 /nfs/dbraw/zinc/23/19/14/720231914.db2.gz FWSDQUMRCZPYDA-SANMLTNESA-N 1 1 498.002 3.754 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C2)C1 ZINC001164716838 720231930 /nfs/dbraw/zinc/23/19/30/720231930.db2.gz FWSDQUMRCZPYDA-SANMLTNESA-N 1 1 498.002 3.754 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CCC2 ZINC001164812729 720240148 /nfs/dbraw/zinc/24/01/48/720240148.db2.gz HUWWUMQOGNAJHX-UHFFFAOYSA-N 1 1 456.953 3.743 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164816286 720245099 /nfs/dbraw/zinc/24/50/99/720245099.db2.gz HKEMCARUNPGZMB-UHFFFAOYSA-N 1 1 484.988 3.738 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C5CCCCC5)cc4)nn3)C2)C1 ZINC001164721827 720300664 /nfs/dbraw/zinc/30/06/64/720300664.db2.gz MAFCYUMARBQIOJ-MUUNZHRXSA-N 1 1 477.653 3.856 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C5CCCCC5)cc4)nn3)C2)C1 ZINC001164721827 720300668 /nfs/dbraw/zinc/30/06/68/720300668.db2.gz MAFCYUMARBQIOJ-MUUNZHRXSA-N 1 1 477.653 3.856 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)c1ccc(Cl)nc1 ZINC001164727666 720458419 /nfs/dbraw/zinc/45/84/19/720458419.db2.gz DWDJFQOAGWKMDS-RTWAWAEBSA-N 1 1 487.988 3.923 20 0 JHADMO O=S(=O)(Nc1ccc(F)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1)c1ccc(Cl)nc1 ZINC001164727666 720458426 /nfs/dbraw/zinc/45/84/26/720458426.db2.gz DWDJFQOAGWKMDS-RTWAWAEBSA-N 1 1 487.988 3.923 20 0 JHADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164840586 720507768 /nfs/dbraw/zinc/50/77/68/720507768.db2.gz WPVLXHJUYUYOSD-CEXWTWQISA-N 1 1 468.627 3.751 20 0 JHADMO 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O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164878923 721147979 /nfs/dbraw/zinc/14/79/79/721147979.db2.gz QVRFMEUPUUDBHH-DHIUTWEWSA-N 1 1 463.969 3.862 20 0 JHADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C[C@H]32)C1=O ZINC001164872108 721232194 /nfs/dbraw/zinc/23/21/94/721232194.db2.gz JVAWJNYRRAFKSQ-OSWQYVSFSA-N 1 1 466.655 3.769 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)cn1 ZINC001164769777 721236543 /nfs/dbraw/zinc/23/65/43/721236543.db2.gz ZPQXHSBHFYBBOY-GOTSBHOMSA-N 1 1 454.578 3.901 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)CC2)C1 ZINC001164872846 721285139 /nfs/dbraw/zinc/28/51/39/721285139.db2.gz GLTPDTLBRWUTGS-UHFFFAOYSA-N 1 1 495.574 3.582 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873127 721305182 /nfs/dbraw/zinc/30/51/82/721305182.db2.gz AJXURTNICUIJND-VPBXCIAMSA-N 1 1 463.626 3.571 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)n1 ZINC001164877381 721309083 /nfs/dbraw/zinc/30/90/83/721309083.db2.gz IOVZMOMVRWQFBU-BGYRXZFFSA-N 1 1 499.706 3.907 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164880868 721309732 /nfs/dbraw/zinc/30/97/32/721309732.db2.gz SWBJQMXEBWNGLS-AOHZBQACSA-N 1 1 454.640 3.776 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776355 721335597 /nfs/dbraw/zinc/33/55/97/721335597.db2.gz DWCVWALUJOKSDD-SANMLTNESA-N 1 1 479.581 3.530 20 0 JHADMO COC(=O)c1ccc2c(ccnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777333 721345930 /nfs/dbraw/zinc/34/59/30/721345930.db2.gz GJAABYRFPNLSNI-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164778814 721349680 /nfs/dbraw/zinc/34/96/80/721349680.db2.gz OTZYPNUAOORQNK-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164778814 721349684 /nfs/dbraw/zinc/34/96/84/721349684.db2.gz OTZYPNUAOORQNK-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO COc1cc2nc(C)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164777665 721351336 /nfs/dbraw/zinc/35/13/36/721351336.db2.gz HDQVLJLUJMLVFB-SANMLTNESA-N 1 1 481.597 3.679 20 0 JHADMO COC(=O)c1ccc2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164787080 721364150 /nfs/dbraw/zinc/36/41/50/721364150.db2.gz YLXUOLGKJLNFFV-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO COC(=O)c1ccc2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164787080 721364153 /nfs/dbraw/zinc/36/41/53/721364153.db2.gz YLXUOLGKJLNFFV-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164785233 721364430 /nfs/dbraw/zinc/36/44/30/721364430.db2.gz SQMMXUUHMDNNDZ-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164785233 721364437 /nfs/dbraw/zinc/36/44/37/721364437.db2.gz SQMMXUUHMDNNDZ-HXUWFJFHSA-N 1 1 455.937 3.586 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1 ZINC001164780270 721365552 /nfs/dbraw/zinc/36/55/52/721365552.db2.gz FJTAZCDGRQOQGI-XMMPIXPASA-N 1 1 453.612 3.904 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)C1 ZINC001164782923 721366248 /nfs/dbraw/zinc/36/62/48/721366248.db2.gz NJTLIPQCBYYHJX-HHHXNRCGSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)C1 ZINC001164782923 721366250 /nfs/dbraw/zinc/36/62/50/721366250.db2.gz NJTLIPQCBYYHJX-HHHXNRCGSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C(C)C)no4)ccn3)C2)C1 ZINC001164780286 721371244 /nfs/dbraw/zinc/37/12/44/721371244.db2.gz FOAPOBUATJKXPG-VWLOTQADSA-N 1 1 466.586 3.979 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C(C)C)no4)ccn3)C2)C1 ZINC001164780286 721371247 /nfs/dbraw/zinc/37/12/47/721371247.db2.gz FOAPOBUATJKXPG-VWLOTQADSA-N 1 1 466.586 3.979 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ncn4-c3ccccc3)C2)C1 ZINC001164787061 721372275 /nfs/dbraw/zinc/37/22/75/721372275.db2.gz XZDYHWPMYDCUJJ-AREMUKBSSA-N 1 1 473.581 3.539 20 0 JHADMO Cn1cc(N2C[C@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)CC2=O)cn1 ZINC001164886805 721372904 /nfs/dbraw/zinc/37/29/04/721372904.db2.gz NYXLHBUJNDEYNR-AREMUKBSSA-N 1 1 491.665 3.533 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887888 721381098 /nfs/dbraw/zinc/38/10/98/721381098.db2.gz ITLWCMQZGCWSMB-HTAPYJJXSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)O2)CC1 ZINC001164893537 721386078 /nfs/dbraw/zinc/38/60/78/721386078.db2.gz UYHGFXTVLBXOEP-VGSWGCGISA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)O2)CC1 ZINC001164883471 721411802 /nfs/dbraw/zinc/41/18/02/721411802.db2.gz ABBVTAMTSLYZLL-HRAATJIYSA-N 1 1 453.965 3.527 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883570 721421089 /nfs/dbraw/zinc/42/10/89/721421089.db2.gz AWKTVDIRRCQKPG-VGSWGCGISA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889616 721435669 /nfs/dbraw/zinc/43/56/69/721435669.db2.gz CHKGAMARDDOMTR-OZXSUGGESA-N 1 1 484.044 3.753 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164898255 721438018 /nfs/dbraw/zinc/43/80/18/721438018.db2.gz VNGSFJOFGHYMIF-JTSKRJEESA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898346 721440322 /nfs/dbraw/zinc/44/03/22/721440322.db2.gz VSBWGKNUCRSCCG-ZEQKJWHPSA-N 1 1 454.590 3.565 20 0 JHADMO 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CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CC[N@H+]1CCOC ZINC001306624781 1069318873 /nfs/dbraw/zinc/31/88/73/1069318873.db2.gz RAXREPHETZNUHH-QFIPXVFZSA-N 1 1 470.662 3.671 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC[N@H+]1CCOC ZINC001306626774 1069322533 /nfs/dbraw/zinc/32/25/33/1069322533.db2.gz LMUKPWRTHHCBFO-DEOSSOPVSA-N 1 1 469.674 3.810 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001306627478 1069323921 /nfs/dbraw/zinc/32/39/21/1069323921.db2.gz UOWYFNFPEXBMKU-FCHUYYIVSA-N 1 1 477.600 3.539 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C3OCCO3)c2)CC[N@H+]1CCOC ZINC001306628145 1069325735 /nfs/dbraw/zinc/32/57/35/1069325735.db2.gz DQTUORNDUIUZQS-HSZRJFAPSA-N 1 1 485.673 3.898 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)CC[N@H+]1CCOC ZINC001306628339 1069326169 /nfs/dbraw/zinc/32/61/69/1069326169.db2.gz YWHTZQNEMMNTHH-QHCPKHFHSA-N 1 1 465.646 3.628 20 0 JHADMO CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC001311348180 1069334964 /nfs/dbraw/zinc/33/49/64/1069334964.db2.gz HWUQAIPKOXWXMZ-RPWUZVMVSA-N 1 1 459.034 3.923 20 0 JHADMO 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 1069338373 /nfs/dbraw/zinc/33/83/73/1069338373.db2.gz DNKDBSTXNNVKPU-QHAWAJNXSA-N 1 1 478.682 3.642 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357875 1069342003 /nfs/dbraw/zinc/34/20/03/1069342003.db2.gz NRBCLMCSVAVIEX-GJZUVCINSA-N 1 1 450.627 3.791 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC001311358335 1069342279 /nfs/dbraw/zinc/34/22/79/1069342279.db2.gz RJDMTIARPOZLMG-HSZRJFAPSA-N 1 1 450.627 3.752 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001311358900 1069343016 /nfs/dbraw/zinc/34/30/16/1069343016.db2.gz UYHLOZSUSMJQAH-UHFFFAOYSA-N 1 1 454.590 3.716 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306635623 1069343144 /nfs/dbraw/zinc/34/31/44/1069343144.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 1 1 476.710 3.577 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306635623 1069343156 /nfs/dbraw/zinc/34/31/56/1069343156.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 1 1 476.710 3.577 20 0 JHADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCC1 ZINC001311367960 1069347205 /nfs/dbraw/zinc/34/72/05/1069347205.db2.gz CPNRKKIOXZVDSD-DEOSSOPVSA-N 1 1 454.590 3.553 20 0 JHADMO COc1ccccc1[C@H](NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)c1ccccn1 ZINC001311376941 1069350402 /nfs/dbraw/zinc/35/04/02/1069350402.db2.gz MFZOGWCYTANOIC-LVXARBLLSA-N 1 1 459.594 3.690 20 0 JHADMO 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 1069352442 /nfs/dbraw/zinc/35/24/42/1069352442.db2.gz BLNNHYDCRZTSHB-HFZDXXHNSA-N 1 1 492.709 3.864 20 0 JHADMO CCCCCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC001306643935 1069355197 /nfs/dbraw/zinc/35/51/97/1069355197.db2.gz VYJFNVXOFSCPAH-AREMUKBSSA-N 1 1 492.709 3.864 20 0 JHADMO CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306643796 1069355233 /nfs/dbraw/zinc/35/52/33/1069355233.db2.gz GAVMDCDZWYKUSC-GCJKJVERSA-N 1 1 489.064 3.786 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CC[N@H+]1CCOC ZINC001306647330 1069358100 /nfs/dbraw/zinc/35/81/00/1069358100.db2.gz NHWYLQYTAVPIPN-FQEVSTJZSA-N 1 1 472.037 3.512 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CC[N@H+]1CCOC ZINC001306649423 1069359878 /nfs/dbraw/zinc/35/98/78/1069359878.db2.gz SRXYZMDFQGNXHK-GOSISDBHSA-N 1 1 492.462 3.560 20 0 JHADMO CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001306648757 1069360938 /nfs/dbraw/zinc/36/09/38/1069360938.db2.gz DWKXMSGGTFUOGK-QFQXNSOFSA-N 1 1 490.693 3.884 20 0 JHADMO 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 1069361576 /nfs/dbraw/zinc/36/15/76/1069361576.db2.gz BNWJEMIRTZCGPW-QINHECLXSA-N 1 1 450.546 3.881 20 0 JHADMO 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 1069362574 /nfs/dbraw/zinc/36/25/74/1069362574.db2.gz UHHOYRHTYNAIRU-WCXIOVBPSA-N 1 1 450.546 3.594 20 0 JHADMO CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306654677 1069366567 /nfs/dbraw/zinc/36/65/67/1069366567.db2.gz QZSYSNWBMLCQDB-BJKOFHAPSA-N 1 1 467.706 3.752 20 0 JHADMO CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306654677 1069366577 /nfs/dbraw/zinc/36/65/77/1069366577.db2.gz QZSYSNWBMLCQDB-BJKOFHAPSA-N 1 1 467.706 3.752 20 0 JHADMO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306655101 1069367000 /nfs/dbraw/zinc/36/70/00/1069367000.db2.gz GDUYIGABCQMXSI-NFBKMPQASA-N 1 1 486.636 3.565 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)CC1 ZINC001306678740 1069403763 /nfs/dbraw/zinc/40/37/63/1069403763.db2.gz DFEPVQDKEISYPW-UHFFFAOYSA-N 1 1 489.466 3.766 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CC1 ZINC001306679245 1069404348 /nfs/dbraw/zinc/40/43/48/1069404348.db2.gz GFNWXMPHEQKJLD-UHFFFAOYSA-N 1 1 474.600 3.789 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC001311496032 1069405562 /nfs/dbraw/zinc/40/55/62/1069405562.db2.gz LXTIMSNJVKXLLK-CALCHBBNSA-N 1 1 450.505 3.752 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001306679853 1069405917 /nfs/dbraw/zinc/40/59/17/1069405917.db2.gz KTMWMMZJFJNRMF-AREMUKBSSA-N 1 1 471.646 3.708 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001306680174 1069406425 /nfs/dbraw/zinc/40/64/25/1069406425.db2.gz ACMSPYPPWZUITM-BEFAXECRSA-N 1 1 468.415 3.786 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cn2)CC1 ZINC001306680101 1069406547 /nfs/dbraw/zinc/40/65/47/1069406547.db2.gz OYRPTFYGMLKUAT-UHFFFAOYSA-N 1 1 451.594 3.795 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001306680732 1069407778 /nfs/dbraw/zinc/40/77/78/1069407778.db2.gz DBPWPEYGILBIDP-UHFFFAOYSA-N 1 1 465.017 3.888 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC ZINC001306681552 1069411187 /nfs/dbraw/zinc/41/11/87/1069411187.db2.gz NMYALHNCRANJBX-LJQANCHMSA-N 1 1 461.680 3.657 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 ZINC001306682334 1069412525 /nfs/dbraw/zinc/41/25/25/1069412525.db2.gz DJWWIHNHEACFOF-MRXNPFEDSA-N 1 1 454.388 3.804 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001306683652 1069418151 /nfs/dbraw/zinc/41/81/51/1069418151.db2.gz ZQPWHQZWIZWJKA-FDDCHVKYSA-N 1 1 492.462 3.824 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001306683575 1069417274 /nfs/dbraw/zinc/41/72/74/1069417274.db2.gz WTQRVKIDDRYSAB-UHFFFAOYSA-N 1 1 473.000 3.586 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001306683466 1069417325 /nfs/dbraw/zinc/41/73/25/1069417325.db2.gz YKXWVKCNPIYWCG-OAQYLSRUSA-N 1 1 454.623 3.703 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306682535 1069413168 /nfs/dbraw/zinc/41/31/68/1069413168.db2.gz HLOVKCZAQRRGLJ-IBGZPJMESA-N 1 1 462.520 3.993 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1nncn1C ZINC001306682492 1069413197 /nfs/dbraw/zinc/41/31/97/1069413197.db2.gz IUWBCOURWFMLJW-IBGZPJMESA-N 1 1 460.989 3.940 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001306682563 1069413787 /nfs/dbraw/zinc/41/37/87/1069413787.db2.gz IIIDIZADIJWZFM-UHFFFAOYSA-N 1 1 466.609 3.550 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001306682493 1069413858 /nfs/dbraw/zinc/41/38/58/1069413858.db2.gz IUWBCOURWFMLJW-LJQANCHMSA-N 1 1 460.989 3.940 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001306683618 1069417942 /nfs/dbraw/zinc/41/79/42/1069417942.db2.gz YGJHCLZRLVXSSQ-UHFFFAOYSA-N 1 1 470.021 3.758 20 0 JHADMO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311509390 1069415102 /nfs/dbraw/zinc/41/51/02/1069415102.db2.gz VACUDMMHFBOTFM-ZEQRLZLVSA-N 1 1 457.663 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001306683123 1069415939 /nfs/dbraw/zinc/41/59/39/1069415939.db2.gz PHSPDFLBNBDOLQ-LEWJYISDSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001306685081 1069420188 /nfs/dbraw/zinc/42/01/88/1069420188.db2.gz ZJCCYHGAUALHHZ-UHFFFAOYSA-N 1 1 464.614 3.820 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC ZINC001306685581 1069421266 /nfs/dbraw/zinc/42/12/66/1069421266.db2.gz GYSHOOFJAGCCJU-WOJBJXKFSA-N 1 1 464.655 3.697 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306686359 1069422349 /nfs/dbraw/zinc/42/23/49/1069422349.db2.gz CIERQHLXXLYEFF-UHFFFAOYSA-N 1 1 457.516 3.634 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 ZINC001306687347 1069423924 /nfs/dbraw/zinc/42/39/24/1069423924.db2.gz IZXQDQYPUPUPFY-UHFFFAOYSA-N 1 1 461.651 3.842 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COCC)nnc1N1CCc2cc(Br)ccc2C1 ZINC001306688035 1069425198 /nfs/dbraw/zinc/42/51/98/1069425198.db2.gz NXROXCMTWCCRAL-UHFFFAOYSA-N 1 1 450.425 3.872 20 0 JHADMO CCCCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306694889 1069432035 /nfs/dbraw/zinc/43/20/35/1069432035.db2.gz FCDVVUXLGRIVEI-NRFANRHFSA-N 1 1 456.418 3.857 20 0 JHADMO O=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001311538925 1069430931 /nfs/dbraw/zinc/43/09/31/1069430931.db2.gz UAVUKFXDRLGTMB-GIWBLDEGSA-N 1 1 455.002 3.670 20 0 JHADMO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001306702362 1069438075 /nfs/dbraw/zinc/43/80/75/1069438075.db2.gz HCRMKMJGSUZZSI-QGZVFWFLSA-N 1 1 478.435 3.675 20 0 JHADMO CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306704190 1069440113 /nfs/dbraw/zinc/44/01/13/1069440113.db2.gz MMRFJDNXLCDDIN-JOCHJYFZSA-N 1 1 470.662 3.757 20 0 JHADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311565062 1069440245 /nfs/dbraw/zinc/44/02/45/1069440245.db2.gz WAGRMEKSIIRAJV-HSZRJFAPSA-N 1 1 457.018 3.711 20 0 JHADMO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Cl ZINC001311566728 1069440867 /nfs/dbraw/zinc/44/08/67/1069440867.db2.gz BHCNUJZVFOLTBJ-HSZRJFAPSA-N 1 1 451.055 3.913 20 0 JHADMO CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001306714590 1069446251 /nfs/dbraw/zinc/44/62/51/1069446251.db2.gz OCBDRSSRGSPAIF-FXAWDEMLSA-N 1 1 478.435 3.577 20 0 JHADMO CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001306708377 1069442577 /nfs/dbraw/zinc/44/25/77/1069442577.db2.gz IBAGIENEZYUCGI-UHFFFAOYSA-N 1 1 478.682 3.740 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c4ccc(Br)cc34)C2)cc(OC)c1 ZINC001306709633 1069443793 /nfs/dbraw/zinc/44/37/93/1069443793.db2.gz DYMLCYYEOZHRII-MRXNPFEDSA-N 1 1 458.356 3.952 20 0 JHADMO CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001306710084 1069443923 /nfs/dbraw/zinc/44/39/23/1069443923.db2.gz FIPINZZVGFTBJW-UHFFFAOYSA-N 1 1 470.637 3.579 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC001306721571 1069457820 /nfs/dbraw/zinc/45/78/20/1069457820.db2.gz BTVPBJIMXPBKCZ-MOUTVQLLSA-N 1 1 460.711 3.993 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306721819 1069458386 /nfs/dbraw/zinc/45/83/86/1069458386.db2.gz FGCCWRBWJMJFAV-IBGZPJMESA-N 1 1 472.600 3.951 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721635 1069458461 /nfs/dbraw/zinc/45/84/61/1069458461.db2.gz CUGCUPXFSARCQB-CTNGQTDRSA-N 1 1 485.629 3.616 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306722794 1069461760 /nfs/dbraw/zinc/46/17/60/1069461760.db2.gz LCPJFLGIBGWXTM-GOTSBHOMSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306722510 1069461115 /nfs/dbraw/zinc/46/11/15/1069461115.db2.gz IIKQHDNPTIJZSQ-FGZHOGPDSA-N 1 1 458.651 3.568 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(CC)CC ZINC001306722653 1069461188 /nfs/dbraw/zinc/46/11/88/1069461188.db2.gz JRGONKJJRKKWOR-LJQANCHMSA-N 1 1 451.619 3.693 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306722823 1069461787 /nfs/dbraw/zinc/46/17/87/1069461787.db2.gz LMRBKDZECLTTIP-MOPGFXCFSA-N 1 1 459.038 3.955 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001306723150 1069462300 /nfs/dbraw/zinc/46/23/00/1069462300.db2.gz QHTUBOYROAZLTE-NLFFAJNJSA-N 1 1 469.634 3.585 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306724485 1069465139 /nfs/dbraw/zinc/46/51/39/1069465139.db2.gz YCECQSBTGSLALZ-NYUJMHJJSA-N 1 1 486.636 3.914 20 0 JHADMO CC[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614111 1069466773 /nfs/dbraw/zinc/46/67/73/1069466773.db2.gz JNOGLFPNXLLDLV-XPNTWCBSSA-N 1 1 458.647 3.901 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306727961 1069473827 /nfs/dbraw/zinc/47/38/27/1069473827.db2.gz SJUWDMRTNDTGSR-DNQXCXABSA-N 1 1 481.689 3.660 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001306728102 1069474351 /nfs/dbraw/zinc/47/43/51/1069474351.db2.gz SLFXIGZHBIKGGD-WOJBJXKFSA-N 1 1 466.552 3.686 20 0 JHADMO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC001311626125 1069475464 /nfs/dbraw/zinc/47/54/64/1069475464.db2.gz MUHRSUBXORFFJR-QQSVUBKYSA-N 1 1 453.627 3.977 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729559 1069478632 /nfs/dbraw/zinc/47/86/32/1069478632.db2.gz KZLDAGXWVZAIGX-VXKWHMMOSA-N 1 1 490.693 3.615 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001306731058 1069484481 /nfs/dbraw/zinc/48/44/81/1069484481.db2.gz OKGYZMKNMYSJHZ-XZOQPEGZSA-N 1 1 482.673 3.795 20 0 JHADMO 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 1069491171 /nfs/dbraw/zinc/49/11/71/1069491171.db2.gz MGPKZGAPAQDHPA-BHDDXSALSA-N 1 1 469.678 3.915 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001311657809 1069491314 /nfs/dbraw/zinc/49/13/14/1069491314.db2.gz ULZICJKOJMZIMA-KRWDZBQOSA-N 1 1 452.946 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001306732932 1069491657 /nfs/dbraw/zinc/49/16/57/1069491657.db2.gz WXCDNXLMDZACEX-WIOPSUGQSA-N 1 1 459.610 3.706 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001306732930 1069491696 /nfs/dbraw/zinc/49/16/96/1069491696.db2.gz WXCDNXLMDZACEX-RDGATRHJSA-N 1 1 459.610 3.706 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306733629 1069493862 /nfs/dbraw/zinc/49/38/62/1069493862.db2.gz LBPRSJQYJVXRQJ-GGAORHGYSA-N 1 1 488.721 3.643 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664984 1069493960 /nfs/dbraw/zinc/49/39/60/1069493960.db2.gz OUQQHWDMGGDVQB-GBXCKJPGSA-N 1 1 457.578 3.901 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001306733683 1069494459 /nfs/dbraw/zinc/49/44/59/1069494459.db2.gz RLUYCTYKXGTYNG-SGIRGMQISA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001306733683 1069494464 /nfs/dbraw/zinc/49/44/64/1069494464.db2.gz RLUYCTYKXGTYNG-SGIRGMQISA-N 1 1 496.700 3.631 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC001311688772 1069504023 /nfs/dbraw/zinc/50/40/23/1069504023.db2.gz DFIGQAPMFDCLMU-INIZCTEOSA-N 1 1 450.052 3.845 20 0 JHADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001311701491 1069510184 /nfs/dbraw/zinc/51/01/84/1069510184.db2.gz WLBQAZJOJOXYMS-WMZHIEFXSA-N 1 1 455.672 3.752 20 0 JHADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001311701491 1069510195 /nfs/dbraw/zinc/51/01/95/1069510195.db2.gz WLBQAZJOJOXYMS-WMZHIEFXSA-N 1 1 455.672 3.752 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306737980 1069508131 /nfs/dbraw/zinc/50/81/31/1069508131.db2.gz XUEZIPSAKVXWFY-SFTDATJTSA-N 1 1 469.678 3.916 20 0 JHADMO COc1cc(OC)c(C[C@@H](C)NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC001311720529 1069519027 /nfs/dbraw/zinc/51/90/27/1069519027.db2.gz VOTIUZPMCJKBJQ-GOSISDBHSA-N 1 1 455.599 3.780 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001306743714 1069523184 /nfs/dbraw/zinc/52/31/84/1069523184.db2.gz DWIGZIVXJNWUJO-OAQYLSRUSA-N 1 1 469.678 3.774 20 0 JHADMO COc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCO2)cc1OC ZINC001311745737 1069531003 /nfs/dbraw/zinc/53/10/03/1069531003.db2.gz FAKMODMJGHBCDY-BWKNWUBXSA-N 1 1 453.583 3.699 20 0 JHADMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001311747752 1069531634 /nfs/dbraw/zinc/53/16/34/1069531634.db2.gz LTPPGFVFCXLQQK-VRUMLPLGSA-N 1 1 456.631 3.987 20 0 JHADMO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC001311793577 1069547544 /nfs/dbraw/zinc/54/75/44/1069547544.db2.gz HTENQGSVAUWTAK-VUMVONDWSA-N 1 1 462.660 3.831 20 0 JHADMO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCc2sccc2C1 ZINC001311793577 1069547551 /nfs/dbraw/zinc/54/75/51/1069547551.db2.gz HTENQGSVAUWTAK-VUMVONDWSA-N 1 1 462.660 3.831 20 0 JHADMO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC001311793576 1069547709 /nfs/dbraw/zinc/54/77/09/1069547709.db2.gz HTENQGSVAUWTAK-KDLAUNOPSA-N 1 1 462.660 3.831 20 0 JHADMO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCc2sccc2C1 ZINC001311793576 1069547713 /nfs/dbraw/zinc/54/77/13/1069547713.db2.gz HTENQGSVAUWTAK-KDLAUNOPSA-N 1 1 462.660 3.831 20 0 JHADMO C[C@@H](CNC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001311788956 1069545826 /nfs/dbraw/zinc/54/58/26/1069545826.db2.gz PUOKNWBTMFXBDH-FQEVSTJZSA-N 1 1 454.590 3.599 20 0 JHADMO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311796500 1069549776 /nfs/dbraw/zinc/54/97/76/1069549776.db2.gz BRJLRTYFLXQTDK-QGZVFWFLSA-N 1 1 451.409 3.792 20 0 JHADMO C[C@@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311820555 1069559900 /nfs/dbraw/zinc/55/99/00/1069559900.db2.gz SMAFPFGKTSJYAY-OAQYLSRUSA-N 1 1 459.654 3.984 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NCCNC(=O)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC001311820707 1069560373 /nfs/dbraw/zinc/56/03/73/1069560373.db2.gz PMYAUORVXIIVQZ-OYRHEFFESA-N 1 1 458.647 3.524 20 0 JHADMO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821927 1069561015 /nfs/dbraw/zinc/56/10/15/1069561015.db2.gz GVAQWXBLCHABPJ-LFAGZIFBSA-N 1 1 467.633 3.673 20 0 JHADMO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821927 1069561026 /nfs/dbraw/zinc/56/10/26/1069561026.db2.gz GVAQWXBLCHABPJ-LFAGZIFBSA-N 1 1 467.633 3.673 20 0 JHADMO CCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001306778211 1069573972 /nfs/dbraw/zinc/57/39/72/1069573972.db2.gz JQJPXVLMJOCEGM-PKTZIBPZSA-N 1 1 498.672 3.811 20 0 JHADMO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001306775516 1069571871 /nfs/dbraw/zinc/57/18/71/1069571871.db2.gz NCXGDTUIKZUZJN-IBGZPJMESA-N 1 1 464.655 3.555 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2C)C1 ZINC001306778698 1069574290 /nfs/dbraw/zinc/57/42/90/1069574290.db2.gz AXJJLBRXRUTPID-HXUWFJFHSA-N 1 1 464.614 3.882 20 0 JHADMO CC[N@@H+](CCCNC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C1CCCCC1 ZINC001311841347 1069574541 /nfs/dbraw/zinc/57/45/41/1069574541.db2.gz TZLROBPXHHGIFY-UHFFFAOYSA-N 1 1 458.647 3.573 20 0 JHADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2)cc1 ZINC001311845830 1069576439 /nfs/dbraw/zinc/57/64/39/1069576439.db2.gz BHKNOUKIVUKGFZ-FCHUYYIVSA-N 1 1 453.627 3.992 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780245 1069576745 /nfs/dbraw/zinc/57/67/45/1069576745.db2.gz AIIKESBQSHFIJM-HKUYNNGSSA-N 1 1 478.037 3.669 20 0 JHADMO 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/nfs/dbraw/zinc/38/02/94/1070380294.db2.gz XDOVUGGMBFLALQ-PZJWPPBQSA-N 1 1 488.633 3.690 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313450562 1070377677 /nfs/dbraw/zinc/37/76/77/1070377677.db2.gz ZDECIEVDWFFBNN-FKBYEOEOSA-N 1 1 489.686 3.533 20 0 JHADMO C[NH+]1CCN(CCCOc2ccc(NCc3nc(C(F)(F)F)n4c3CCCC4)cc2)CC1 ZINC001308458846 1070378270 /nfs/dbraw/zinc/37/82/70/1070378270.db2.gz ZTSRHBSKIPTDFI-UHFFFAOYSA-N 1 1 451.537 3.867 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380520 /nfs/dbraw/zinc/38/05/20/1070380520.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 1 1 490.643 3.567 20 0 JHADMO CCOCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001314471044 1070381529 /nfs/dbraw/zinc/38/15/29/1070381529.db2.gz QKOIMKBRKOBQON-UXHICEINSA-N 1 1 487.649 3.639 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313452277 1070382149 /nfs/dbraw/zinc/38/21/49/1070382149.db2.gz KALAMVQMUUWOTN-RTWAWAEBSA-N 1 1 486.636 3.986 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001313452586 1070383348 /nfs/dbraw/zinc/38/33/48/1070383348.db2.gz MNRSFSTWUPRONZ-NRFANRHFSA-N 1 1 459.038 3.607 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313452707 1070383547 /nfs/dbraw/zinc/38/35/47/1070383547.db2.gz KIVVXZCFFBWWFI-GHTZIAJQSA-N 1 1 497.562 3.898 20 0 JHADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308563269 1070390249 /nfs/dbraw/zinc/39/02/49/1070390249.db2.gz WSIVIHNAAWEADZ-HKUYNNGSSA-N 1 1 452.437 3.803 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC001308565811 1070390996 /nfs/dbraw/zinc/39/09/96/1070390996.db2.gz YMBJBXVNTUVSHZ-YADHBBJMSA-N 1 1 455.603 3.889 20 0 JHADMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC001308575029 1070393553 /nfs/dbraw/zinc/39/35/53/1070393553.db2.gz HVLJIORTKRZFSF-CYFREDJKSA-N 1 1 458.002 3.597 20 0 JHADMO CCCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCC(C)C)c2ccccc2c1=O ZINC001313457923 1070400807 /nfs/dbraw/zinc/40/08/07/1070400807.db2.gz AWKNBXXEOWMBST-IBGZPJMESA-N 1 1 451.619 3.642 20 0 JHADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001308627226 1070405855 /nfs/dbraw/zinc/40/58/55/1070405855.db2.gz LGHKGCHZDPIVKO-IBGZPJMESA-N 1 1 455.521 3.547 20 0 JHADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001308627226 1070405860 /nfs/dbraw/zinc/40/58/60/1070405860.db2.gz LGHKGCHZDPIVKO-IBGZPJMESA-N 1 1 455.521 3.547 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCC[N@H+]2CCC)C1 ZINC001313459296 1070405869 /nfs/dbraw/zinc/40/58/69/1070405869.db2.gz GSMTZOMXRZUJNV-GOTSBHOMSA-N 1 1 482.673 3.961 20 0 JHADMO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001308652203 1070410959 /nfs/dbraw/zinc/41/09/59/1070410959.db2.gz YPBBOCDEKVZGPX-UHFFFAOYSA-N 1 1 454.209 3.553 20 0 JHADMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001308652203 1070410965 /nfs/dbraw/zinc/41/09/65/1070410965.db2.gz YPBBOCDEKVZGPX-UHFFFAOYSA-N 1 1 454.209 3.553 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)C[C@H]1CC ZINC001314494947 1070411827 /nfs/dbraw/zinc/41/18/27/1070411827.db2.gz UQCYXEYUVADOMY-NHCUHLMSSA-N 1 1 457.667 3.595 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC001314493034 1070406937 /nfs/dbraw/zinc/40/69/37/1070406937.db2.gz DKRBAPLWWYCZDX-UHFFFAOYSA-N 1 1 466.417 3.563 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001314493491 1070407662 /nfs/dbraw/zinc/40/76/62/1070407662.db2.gz HXVUHIQRIKXKGO-HXUWFJFHSA-N 1 1 490.599 3.741 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1CC ZINC001314494967 1070411966 /nfs/dbraw/zinc/41/19/66/1070411966.db2.gz VAGXSNGPRXJXKX-IBGZPJMESA-N 1 1 478.037 3.812 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495778 1070415377 /nfs/dbraw/zinc/41/53/77/1070415377.db2.gz DAYHDHJBXMUIIL-JOCHJYFZSA-N 1 1 484.689 3.623 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC(F)(F)F)CC1 ZINC001314496293 1070417114 /nfs/dbraw/zinc/41/71/14/1070417114.db2.gz HGTDQGLDIZKQTK-UHFFFAOYSA-N 1 1 461.916 3.684 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+]2CC)C[C@@H]1CC ZINC001314496483 1070417912 /nfs/dbraw/zinc/41/79/12/1070417912.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 1 1 454.663 3.675 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+]2CC)C[C@@H]1CC ZINC001314496483 1070417919 /nfs/dbraw/zinc/41/79/19/1070417919.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 1 1 454.663 3.675 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC2CCOCC2)CC1 ZINC001314497880 1070422066 /nfs/dbraw/zinc/42/20/66/1070422066.db2.gz FVULTFWANHYFFK-DHIUTWEWSA-N 1 1 477.694 3.562 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001314497855 1070422195 /nfs/dbraw/zinc/42/21/95/1070422195.db2.gz FABQVLHRAVZNRP-SKCUWOTOSA-N 1 1 499.700 3.864 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001314497910 1070422339 /nfs/dbraw/zinc/42/23/39/1070422339.db2.gz GNFONBSSSZXRMY-HXUWFJFHSA-N 1 1 463.573 3.759 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(C)coc2C)CC1 ZINC001314498005 1070423115 /nfs/dbraw/zinc/42/31/15/1070423115.db2.gz JJCJKISJNALLPZ-UHFFFAOYSA-N 1 1 467.614 3.891 20 0 JHADMO COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC001308712235 1070423598 /nfs/dbraw/zinc/42/35/98/1070423598.db2.gz UYQNPWGDZRGCRP-FQEVSTJZSA-N 1 1 456.587 3.629 20 0 JHADMO COc1nc2ccccc2cc1C[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC001308712235 1070423605 /nfs/dbraw/zinc/42/36/05/1070423605.db2.gz UYQNPWGDZRGCRP-FQEVSTJZSA-N 1 1 456.587 3.629 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)C[C@@H]1CC ZINC001314498338 1070423716 /nfs/dbraw/zinc/42/37/16/1070423716.db2.gz CKQJNGPQLSSWGT-QFIPXVFZSA-N 1 1 476.065 3.765 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314498579 1070423913 /nfs/dbraw/zinc/42/39/13/1070423913.db2.gz CWLJPJPABWWIRP-NUNAXRQHSA-N 1 1 455.647 3.539 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@H]2C[C@@H]2C)CC1 ZINC001314498418 1070423945 /nfs/dbraw/zinc/42/39/45/1070423945.db2.gz MGWWDFBRECARFR-YJBOKZPZSA-N 1 1 454.402 3.903 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCCCCC2)C[C@@H]1CC ZINC001314498604 1070424684 /nfs/dbraw/zinc/42/46/84/1070424684.db2.gz IWJHNGSDPOHATA-VXKWHMMOSA-N 1 1 463.667 3.542 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001314498611 1070424767 /nfs/dbraw/zinc/42/47/67/1070424767.db2.gz DMBWLSSDSQWOOI-QFIPXVFZSA-N 1 1 457.688 3.868 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001314498759 1070425701 /nfs/dbraw/zinc/42/57/01/1070425701.db2.gz KNYRKPIUCZIQIU-UHFFFAOYSA-N 1 1 451.537 3.966 20 0 JHADMO CN(C)c1nc(C[NH2+]CC2([S@@](C)=O)CCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001308723993 1070426145 /nfs/dbraw/zinc/42/61/45/1070426145.db2.gz QPSGWGMWMCPVCP-AREMUKBSSA-N 1 1 459.841 3.745 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001314499483 1070428110 /nfs/dbraw/zinc/42/81/10/1070428110.db2.gz MWDUMJVZOOVJNH-HSZRJFAPSA-N 1 1 457.619 3.514 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001314498288 1070423004 /nfs/dbraw/zinc/42/30/04/1070423004.db2.gz XLMZBJFEXMIWSL-NRFANRHFSA-N 1 1 492.462 3.825 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001314498064 1070423058 /nfs/dbraw/zinc/42/30/58/1070423058.db2.gz WBKYLIGJCROASS-RBUKOAKNSA-N 1 1 492.462 3.681 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)cccc2C)C[C@H]1CC ZINC001314499962 1070428877 /nfs/dbraw/zinc/42/88/77/1070428877.db2.gz FLEORYFCFGORTR-XZOQPEGZSA-N 1 1 455.647 3.579 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCSC2(C)C)C[C@@H]1CC ZINC001314499794 1070429036 /nfs/dbraw/zinc/42/90/36/1070429036.db2.gz OIGJXVHWDLVIJB-YADHBBJMSA-N 1 1 472.703 3.733 20 0 JHADMO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(O)c(OC)cc3Br)CC2)c1C ZINC001308756349 1070431883 /nfs/dbraw/zinc/43/18/83/1070431883.db2.gz KYWXYGPHBQGJAB-UHFFFAOYSA-N 1 1 452.349 3.682 20 0 JHADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308761361 1070432577 /nfs/dbraw/zinc/43/25/77/1070432577.db2.gz SLORCOZDVSWCBA-RUZDIDTESA-N 1 1 454.571 3.882 20 0 JHADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308761361 1070432585 /nfs/dbraw/zinc/43/25/85/1070432585.db2.gz SLORCOZDVSWCBA-RUZDIDTESA-N 1 1 454.571 3.882 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)OCO3)C[C@@H]1CC ZINC001314501698 1070434649 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XPFGWPPPPFJQHW-JGCGQSQUSA-N 1 1 456.660 3.516 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CC[N@H+]2CCCC[C@@H]2CC)cc1OC ZINC001313515912 1070575239 /nfs/dbraw/zinc/57/52/39/1070575239.db2.gz ZIVAOMPJGFAAEX-NRFANRHFSA-N 1 1 457.619 3.844 20 0 JHADMO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001314576826 1070585021 /nfs/dbraw/zinc/58/50/21/1070585021.db2.gz LDRFPMJQYBAQTA-KRWDZBQOSA-N 1 1 457.604 3.942 20 0 JHADMO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001314576829 1070585104 /nfs/dbraw/zinc/58/51/04/1070585104.db2.gz LDRFPMJQYBAQTA-QGZVFWFLSA-N 1 1 457.604 3.942 20 0 JHADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC001309192663 1070595860 /nfs/dbraw/zinc/59/58/60/1070595860.db2.gz FOUMEERTERMSAD-CVEARBPZSA-N 1 1 459.439 3.874 20 0 JHADMO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+]2CC)n1 ZINC001314582747 1070596864 /nfs/dbraw/zinc/59/68/64/1070596864.db2.gz NUCZTCZFXPOUSJ-IRXDYDNUSA-N 1 1 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CN(Cc1nccs1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314773020 1071040680 /nfs/dbraw/zinc/04/06/80/1071040680.db2.gz KUJSIZQCKYTALA-IBGZPJMESA-N 1 1 461.035 3.928 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001313728979 1071041322 /nfs/dbraw/zinc/04/13/22/1071041322.db2.gz QXTIZUNVPCHCGW-RTWAWAEBSA-N 1 1 490.656 3.584 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc[nH+]c1C ZINC001313730166 1071043497 /nfs/dbraw/zinc/04/34/97/1071043497.db2.gz UNZALUMUJDCJAL-UHFFFAOYSA-N 1 1 470.990 3.872 20 0 JHADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H]1C ZINC001309994656 1071044282 /nfs/dbraw/zinc/04/42/82/1071044282.db2.gz DUBXQFATMDQKCN-AEFFLSMTSA-N 1 1 457.040 3.851 20 0 JHADMO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314774763 1071044438 /nfs/dbraw/zinc/04/44/38/1071044438.db2.gz HDURQVNGJLKICV-QAPCUYQASA-N 1 1 478.428 3.762 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313730461 1071045113 /nfs/dbraw/zinc/04/51/13/1071045113.db2.gz YYRKKCPLTFSENB-SFHVURJKSA-N 1 1 495.093 3.612 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313731870 1071048754 /nfs/dbraw/zinc/04/87/54/1071048754.db2.gz WNPGZXVTFTYKOA-OALUTQOASA-N 1 1 495.640 3.605 20 0 JHADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2)cc1 ZINC001310004056 1071051878 /nfs/dbraw/zinc/05/18/78/1071051878.db2.gz GFXAIGBGQBUZDA-GOSISDBHSA-N 1 1 454.571 3.647 20 0 JHADMO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001313736237 1071057978 /nfs/dbraw/zinc/05/79/78/1071057978.db2.gz IBKVBLIWZVNDDD-UHFFFAOYSA-N 1 1 482.654 3.571 20 0 JHADMO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CCc2sccc2C1 ZINC001313736237 1071057980 /nfs/dbraw/zinc/05/79/80/1071057980.db2.gz IBKVBLIWZVNDDD-UHFFFAOYSA-N 1 1 482.654 3.571 20 0 JHADMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001310020658 1071065384 /nfs/dbraw/zinc/06/53/84/1071065384.db2.gz ZWKQWTFYODXPFW-QFIPXVFZSA-N 1 1 458.628 3.844 20 0 JHADMO CNC(=O)Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001310031007 1071073431 /nfs/dbraw/zinc/07/34/31/1071073431.db2.gz KRMFYHRITJOGAZ-IZZNHLLZSA-N 1 1 472.589 3.773 20 0 JHADMO CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001313749486 1071080160 /nfs/dbraw/zinc/08/01/60/1071080160.db2.gz SSZWJRBRAFDWSB-OAQYLSRUSA-N 1 1 476.444 3.862 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001313748578 1071078578 /nfs/dbraw/zinc/07/85/78/1071078578.db2.gz YYYUEXDMKLIIBK-FPOVZHCZSA-N 1 1 477.650 3.610 20 0 JHADMO C[N@@H+](Cc1ccccc1NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC001310044452 1071081288 /nfs/dbraw/zinc/08/12/88/1071081288.db2.gz RUKFJCKLNPEMGI-UHFFFAOYSA-N 1 1 458.628 3.853 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCC[N@H+]1CC ZINC001313751295 1071086424 /nfs/dbraw/zinc/08/64/24/1071086424.db2.gz JIOBOVXOAPXNMC-OAQYLSRUSA-N 1 1 467.618 3.597 20 0 JHADMO CN(C(=O)Nc1cccc(CN2CCCC2=O)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001310059565 1071090599 /nfs/dbraw/zinc/09/05/99/1071090599.db2.gz CSSRKXQOAOMKEB-BJKOFHAPSA-N 1 1 455.647 3.610 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001313754246 1071092523 /nfs/dbraw/zinc/09/25/23/1071092523.db2.gz XCNPKDPKKWOTNB-UHFFFAOYSA-N 1 1 489.466 3.681 20 0 JHADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001314811516 1071105715 /nfs/dbraw/zinc/10/57/15/1071105715.db2.gz NEOCFGSMNMBGEG-OAQYLSRUSA-N 1 1 464.662 3.929 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001313773976 1071128653 /nfs/dbraw/zinc/12/86/53/1071128653.db2.gz ZCUVMWBCYCDCAQ-FCHUYYIVSA-N 1 1 454.619 3.637 20 0 JHADMO 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CCN(C(=O)Cc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1)c1ccccc1 ZINC001310159767 1071164952 /nfs/dbraw/zinc/16/49/52/1071164952.db2.gz PDZGVDPOBMLSRG-UHFFFAOYSA-N 1 1 452.599 3.857 20 0 JHADMO CCN(C(=O)Cc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1)c1ccccc1 ZINC001310159767 1071164960 /nfs/dbraw/zinc/16/49/60/1071164960.db2.gz PDZGVDPOBMLSRG-UHFFFAOYSA-N 1 1 452.599 3.857 20 0 JHADMO CN(CCc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001314832665 1071167794 /nfs/dbraw/zinc/16/77/94/1071167794.db2.gz GOAZRJYCNOKSBN-KSEOMHKRSA-N 1 1 475.703 3.784 20 0 JHADMO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)C1)CC(F)(F)F ZINC001313788008 1071172174 /nfs/dbraw/zinc/17/21/74/1071172174.db2.gz YAJSUKHWPGPTJD-RTWAWAEBSA-N 1 1 493.622 3.706 20 0 JHADMO CCN(C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)C1)CC(F)(F)F ZINC001313788006 1071172189 /nfs/dbraw/zinc/17/21/89/1071172189.db2.gz YAJSUKHWPGPTJD-LEWJYISDSA-N 1 1 493.622 3.706 20 0 JHADMO 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CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CC ZINC001313796075 1071195365 /nfs/dbraw/zinc/19/53/65/1071195365.db2.gz KYDJEPZHARKKNN-RTWAWAEBSA-N 1 1 476.666 3.697 20 0 JHADMO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314844597 1071198219 /nfs/dbraw/zinc/19/82/19/1071198219.db2.gz FVDCMBYLOWYUDQ-DEOSSOPVSA-N 1 1 468.690 3.657 20 0 JHADMO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314844597 1071198229 /nfs/dbraw/zinc/19/82/29/1071198229.db2.gz FVDCMBYLOWYUDQ-DEOSSOPVSA-N 1 1 468.690 3.657 20 0 JHADMO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314844597 1071198239 /nfs/dbraw/zinc/19/82/39/1071198239.db2.gz FVDCMBYLOWYUDQ-DEOSSOPVSA-N 1 1 468.690 3.657 20 0 JHADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001310194101 1071200254 /nfs/dbraw/zinc/20/02/54/1071200254.db2.gz CQTGZVDTWYAMLW-RDPSFJRHSA-N 1 1 459.974 3.656 20 0 JHADMO CC[N@@H+](CCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1)CC1CC1 ZINC001313800737 1071204067 /nfs/dbraw/zinc/20/40/67/1071204067.db2.gz UXUJUCPLQVJDQB-QFIPXVFZSA-N 1 1 479.735 3.881 20 0 JHADMO CC[N@@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC1)CCC(F)(F)F ZINC001313801472 1071205822 /nfs/dbraw/zinc/20/58/22/1071205822.db2.gz FWMMYZROQKJNBB-MRXNPFEDSA-N 1 1 459.488 3.668 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001313802010 1071207424 /nfs/dbraw/zinc/20/74/24/1071207424.db2.gz BJKSXTYSEYYDNN-OALUTQOASA-N 1 1 465.440 3.914 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C ZINC001313803328 1071210467 /nfs/dbraw/zinc/21/04/67/1071210467.db2.gz OTICLKWGIJEBCU-CTNGQTDRSA-N 1 1 487.645 3.707 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001313803499 1071211933 /nfs/dbraw/zinc/21/19/33/1071211933.db2.gz RHIIXGPWAWIQJH-ROUUACIJSA-N 1 1 457.619 3.938 20 0 JHADMO 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CC[N@@H+](CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1)C(C)C ZINC001313805458 1071219589 /nfs/dbraw/zinc/21/95/89/1071219589.db2.gz QHKPTVKLZMPKAW-UHFFFAOYSA-N 1 1 461.035 3.870 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccco1)CCC(F)(F)F ZINC001313804861 1071217432 /nfs/dbraw/zinc/21/74/32/1071217432.db2.gz IYWBFNYQMINAFW-KRWDZBQOSA-N 1 1 468.524 3.723 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001313805547 1071220603 /nfs/dbraw/zinc/22/06/03/1071220603.db2.gz MFERZLQILXYRGH-WXVAWEFUSA-N 1 1 498.672 3.652 20 0 JHADMO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001314851296 1071221281 /nfs/dbraw/zinc/22/12/81/1071221281.db2.gz QEIDWSQOFKIEKB-FQEVSTJZSA-N 1 1 472.037 3.718 20 0 JHADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC1CCCC1)C(C)C ZINC001313805820 1071221436 /nfs/dbraw/zinc/22/14/36/1071221436.db2.gz SUVGSDBCJWJLFA-UHFFFAOYSA-N 1 1 477.679 3.587 20 0 JHADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(F)(F)CC1)C(C)C ZINC001313806185 1071223597 /nfs/dbraw/zinc/22/35/97/1071223597.db2.gz VYLUJHBXWNIURD-UHFFFAOYSA-N 1 1 483.633 3.512 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)C(C)C ZINC001313806646 1071225296 /nfs/dbraw/zinc/22/52/96/1071225296.db2.gz WNZPGDCGVJSYDV-HZPDHXFCSA-N 1 1 486.480 3.740 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)cc1)C(C)C ZINC001313806747 1071225860 /nfs/dbraw/zinc/22/58/60/1071225860.db2.gz ZIKMRLVYZKMBCK-UHFFFAOYSA-N 1 1 477.451 3.643 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)C(C)C ZINC001313806782 1071226062 /nfs/dbraw/zinc/22/60/62/1071226062.db2.gz YCTFXTRUMKKYBX-SANMLTNESA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001313807069 1071227004 /nfs/dbraw/zinc/22/70/04/1071227004.db2.gz BIAUZFBVMHDULG-UHFFFAOYSA-N 1 1 467.662 3.712 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1)C1CC1 ZINC001313808040 1071231130 /nfs/dbraw/zinc/23/11/30/1071231130.db2.gz INVUOVYOYKNNDC-UHFFFAOYSA-N 1 1 459.038 3.778 20 0 JHADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(CC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001314853752 1071231099 /nfs/dbraw/zinc/23/10/99/1071231099.db2.gz CLPIEXDQDGSQPK-UHFFFAOYSA-N 1 1 492.709 3.720 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001313808253 1071232724 /nfs/dbraw/zinc/23/27/24/1071232724.db2.gz LUAIVFXRVRAQAN-UHFFFAOYSA-N 1 1 498.981 3.979 20 0 JHADMO Cc1c(Br)cccc1NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001310245748 1071232786 /nfs/dbraw/zinc/23/27/86/1071232786.db2.gz XPCYGIGEOYGJOF-UHFFFAOYSA-N 1 1 455.397 3.822 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001313809559 1071237711 /nfs/dbraw/zinc/23/77/11/1071237711.db2.gz PIHRRPWUJJSSOL-HNNXBMFYSA-N 1 1 453.418 3.684 20 0 JHADMO CN(CCCS(C)(=O)=O)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001314857770 1071241512 /nfs/dbraw/zinc/24/15/12/1071241512.db2.gz WNMSHRJCZUIBJX-PZJWPPBQSA-N 1 1 479.716 3.951 20 0 JHADMO CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC001314858314 1071243613 /nfs/dbraw/zinc/24/36/13/1071243613.db2.gz BIQVFZCCHPIILI-SFHVURJKSA-N 1 1 465.440 3.536 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811147 1071244696 /nfs/dbraw/zinc/24/46/96/1071244696.db2.gz ZUGADKLHPCVVMY-IEBWSBKVSA-N 1 1 471.524 3.505 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313811788 1071246742 /nfs/dbraw/zinc/24/67/42/1071246742.db2.gz HTYFMFSEMFZVSW-INIZCTEOSA-N 1 1 497.957 3.738 20 0 JHADMO C[C@@H](CCC1CCCCC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001310259856 1071247058 /nfs/dbraw/zinc/24/70/58/1071247058.db2.gz HFHYVKULPXPWBS-IBGZPJMESA-N 1 1 450.649 3.883 20 0 JHADMO C[C@@H](CCC1CCCCC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001310259856 1071247072 /nfs/dbraw/zinc/24/70/72/1071247072.db2.gz HFHYVKULPXPWBS-IBGZPJMESA-N 1 1 450.649 3.883 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Nc2cccnn2)CC1)C(C)C ZINC001313811716 1071247103 /nfs/dbraw/zinc/24/71/03/1071247103.db2.gz DXDRDOUBJGQLER-UHFFFAOYSA-N 1 1 464.618 3.555 20 0 JHADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001314859122 1071247172 /nfs/dbraw/zinc/24/71/72/1071247172.db2.gz ZHNGTIITIHVOBY-GOSISDBHSA-N 1 1 489.462 3.674 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC001313811963 1071248527 /nfs/dbraw/zinc/24/85/27/1071248527.db2.gz NJLVPVHLHFBUJM-IBGZPJMESA-N 1 1 457.026 3.841 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001313813231 1071253832 /nfs/dbraw/zinc/25/38/32/1071253832.db2.gz GMIOWQYOQMPBGM-DEOSSOPVSA-N 1 1 482.673 3.991 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1)CCC(F)(F)F ZINC001313813937 1071256179 /nfs/dbraw/zinc/25/61/79/1071256179.db2.gz IGPXLWXLOHATGJ-OAHLLOKOSA-N 1 1 473.490 3.897 20 0 JHADMO C[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C)C1CCCC1 ZINC001314863141 1071258792 /nfs/dbraw/zinc/25/87/92/1071258792.db2.gz CPNCWOFJLZTESQ-HXUWFJFHSA-N 1 1 476.666 3.840 20 0 JHADMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001314863067 1071258904 /nfs/dbraw/zinc/25/89/04/1071258904.db2.gz APARALXHZFZFFU-UHFFFAOYSA-N 1 1 458.626 3.620 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)C(C)C ZINC001313814896 1071259044 /nfs/dbraw/zinc/25/90/44/1071259044.db2.gz QOQKJOHJNAEBDX-HSZRJFAPSA-N 1 1 457.667 3.632 20 0 JHADMO Cn1cccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001314863511 1071260370 /nfs/dbraw/zinc/26/03/70/1071260370.db2.gz QQVYWHKTWQOXEE-OAQYLSRUSA-N 1 1 479.629 3.519 20 0 JHADMO 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CCN(CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(=O)OC(C)(C)C ZINC001313825096 1071292915 /nfs/dbraw/zinc/29/29/15/1071292915.db2.gz ALGAMUOYXYXGSI-PZJWPPBQSA-N 1 1 476.666 3.697 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314877016 1071294585 /nfs/dbraw/zinc/29/45/85/1071294585.db2.gz DOJNXKXYMIOJTL-HXUWFJFHSA-N 1 1 481.645 3.966 20 0 JHADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001313826376 1071296444 /nfs/dbraw/zinc/29/64/44/1071296444.db2.gz MUXPHKUABAXRHC-FQEVSTJZSA-N 1 1 484.670 3.888 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(O)c2)CC1)C(C)C ZINC001313826966 1071297750 /nfs/dbraw/zinc/29/77/50/1071297750.db2.gz PSDXDAOORORZQR-DNQXCXABSA-N 1 1 484.689 3.959 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001313826954 1071298007 /nfs/dbraw/zinc/29/80/07/1071298007.db2.gz PMNIJYZFOFVSQH-WOJBJXKFSA-N 1 1 464.655 3.553 20 0 JHADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001310316529 1071298518 /nfs/dbraw/zinc/29/85/18/1071298518.db2.gz JZINSWUYSDFONP-FQEVSTJZSA-N 1 1 459.388 3.937 20 0 JHADMO CC[NH+]1CCN(CCCCNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001310316359 1071298627 /nfs/dbraw/zinc/29/86/27/1071298627.db2.gz OSUIMIHMFIZOTD-UHFFFAOYSA-N 1 1 459.635 3.519 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C)C1CC1 ZINC001313827454 1071299209 /nfs/dbraw/zinc/29/92/09/1071299209.db2.gz WUCUFRKCXBQSIU-MJGOQNOKSA-N 1 1 464.680 3.776 20 0 JHADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001313828728 1071300584 /nfs/dbraw/zinc/30/05/84/1071300584.db2.gz QUCNFXBRJCHWCU-NJDAHSKKSA-N 1 1 497.750 3.578 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314879528 1071301241 /nfs/dbraw/zinc/30/12/41/1071301241.db2.gz XFTHLRJYQKQCCM-JOCHJYFZSA-N 1 1 498.720 3.824 20 0 JHADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001310318974 1071301269 /nfs/dbraw/zinc/30/12/69/1071301269.db2.gz ASIODVARRJDZEP-AVRDEDQJSA-N 1 1 456.612 3.644 20 0 JHADMO CC(C)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001310321187 1071304329 /nfs/dbraw/zinc/30/43/29/1071304329.db2.gz OBFXRRDCCDGSJS-QHCPKHFHSA-N 1 1 456.612 3.502 20 0 JHADMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1S(=O)(=O)NC1CC1 ZINC001310332281 1071313612 /nfs/dbraw/zinc/31/36/12/1071313612.db2.gz HQCRLICUOCBDKZ-IBGZPJMESA-N 1 1 456.612 3.655 20 0 JHADMO CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CCO2)cn1 ZINC001313835997 1071315412 /nfs/dbraw/zinc/31/54/12/1071315412.db2.gz RSNOIOPODRFFEM-UNMCSNQZSA-N 1 1 457.667 3.926 20 0 JHADMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1N1CCCS1(=O)=O ZINC001310334070 1071315891 /nfs/dbraw/zinc/31/58/91/1071315891.db2.gz UPJZXCRIWDEAOB-WOJBJXKFSA-N 1 1 456.612 3.662 20 0 JHADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C[C@@H]1C ZINC001310337810 1071320293 /nfs/dbraw/zinc/32/02/93/1071320293.db2.gz XYWLWBOFUBDROK-GHTZIAJQSA-N 1 1 450.649 3.976 20 0 JHADMO COC(=O)c1cc(NC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c(Br)cc1F ZINC001310351557 1071330889 /nfs/dbraw/zinc/33/08/89/1071330889.db2.gz XMUHQAALJVQVMC-BGYRXZFFSA-N 1 1 454.340 3.715 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313858267 1071358057 /nfs/dbraw/zinc/35/80/57/1071358057.db2.gz ACYWFYCHHXRYRO-UONOGXRCSA-N 1 1 458.351 3.860 20 0 JHADMO 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 ZINC001313858610 1071360585 /nfs/dbraw/zinc/36/05/85/1071360585.db2.gz BJOBTLIPEITNKW-YYIAUSFCSA-N 1 1 465.440 3.770 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COC)C[C@H]1C ZINC001313858437 1071359526 /nfs/dbraw/zinc/35/95/26/1071359526.db2.gz HGSGXARNMSSPAN-UXHICEINSA-N 1 1 456.635 3.739 20 0 JHADMO COCCc1noc(-c2cc(Cl)ccc2NC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001310382388 1071355909 /nfs/dbraw/zinc/35/59/09/1071355909.db2.gz APLLCPAHUCPHHN-UHFFFAOYSA-N 1 1 455.946 3.929 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313858357 1071360032 /nfs/dbraw/zinc/36/00/32/1071360032.db2.gz APUBNGJDOQQKGW-LSDHHAIUSA-N 1 1 490.425 3.856 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313858555 1071360685 /nfs/dbraw/zinc/36/06/85/1071360685.db2.gz BOEIZWPFCWGNHU-VYDXJSESSA-N 1 1 498.853 3.695 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313858950 1071361646 /nfs/dbraw/zinc/36/16/46/1071361646.db2.gz CVGOVUJEGNNRRV-LEWJYISDSA-N 1 1 498.697 3.936 20 0 JHADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001314922403 1071366055 /nfs/dbraw/zinc/36/60/55/1071366055.db2.gz CZOORFCLEPQZFK-RDPSFJRHSA-N 1 1 495.590 3.857 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001313860034 1071366494 /nfs/dbraw/zinc/36/64/94/1071366494.db2.gz IONRTSGHYGLDBL-BZSNNMDCSA-N 1 1 475.037 3.517 20 0 JHADMO 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 ZINC001313860011 1071366655 /nfs/dbraw/zinc/36/66/55/1071366655.db2.gz IKSIYCDEWZTYGS-GZMKSWLHSA-N 1 1 475.609 3.528 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001314924846 1071367634 /nfs/dbraw/zinc/36/76/34/1071367634.db2.gz QBUBYSMUAPJMFM-HSZRJFAPSA-N 1 1 466.674 3.666 20 0 JHADMO 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 ZINC001313860196 1071367916 /nfs/dbraw/zinc/36/79/16/1071367916.db2.gz KJJFDFCPVMAXLI-MOPGFXCFSA-N 1 1 476.691 3.551 20 0 JHADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCCCc2ccccc2)CC1 ZINC001314925280 1071368009 /nfs/dbraw/zinc/36/80/09/1071368009.db2.gz VVUIOMZQOCSXTL-QHCPKHFHSA-N 1 1 466.674 3.632 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)C[C@@H]1C ZINC001313860372 1071369361 /nfs/dbraw/zinc/36/93/61/1071369361.db2.gz JTAWQCQRGUGUOM-GBESFXJTSA-N 1 1 487.052 3.784 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314926831 1071369840 /nfs/dbraw/zinc/36/98/40/1071369840.db2.gz FMEHUVLCCYXOJT-YADHBBJMSA-N 1 1 497.688 3.878 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001314928022 1071370536 /nfs/dbraw/zinc/37/05/36/1071370536.db2.gz JKRQQVBTZTUPHP-NJYVYQBISA-N 1 1 490.693 3.786 20 0 JHADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC001310409446 1071373866 /nfs/dbraw/zinc/37/38/66/1071373866.db2.gz RLDGWYVVENGOND-FOIQADDNSA-N 1 1 453.008 3.841 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313862668 1071377322 /nfs/dbraw/zinc/37/73/22/1071377322.db2.gz UEWBYIXBVGJRRP-CVEARBPZSA-N 1 1 473.565 3.610 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)C[C@H]1C ZINC001313861887 1071374845 /nfs/dbraw/zinc/37/48/45/1071374845.db2.gz RQPKMPIMLJITMR-MOPGFXCFSA-N 1 1 479.604 3.961 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@@H]1C ZINC001313861885 1071375410 /nfs/dbraw/zinc/37/54/10/1071375410.db2.gz RLSQBJNPJGYGJO-ROUUACIJSA-N 1 1 479.094 3.924 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313863821 1071383367 /nfs/dbraw/zinc/38/33/67/1071383367.db2.gz TWTOGFJKGVZGNK-QYZOEREBSA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313863869 1071384232 /nfs/dbraw/zinc/38/42/32/1071384232.db2.gz ULDARUGSQSMAOD-ZIFCJYIRSA-N 1 1 455.582 3.566 20 0 JHADMO C[N@@H+](CCN1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1)Cc1ccccc1 ZINC001310425870 1071384440 /nfs/dbraw/zinc/38/44/40/1071384440.db2.gz ACBQMXUNWICCOM-UHFFFAOYSA-N 1 1 452.990 3.807 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001313864008 1071384747 /nfs/dbraw/zinc/38/47/47/1071384747.db2.gz FMUOXXRCDATFDM-GXZWQRSESA-N 1 1 468.415 3.927 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313864795 1071388515 /nfs/dbraw/zinc/38/85/15/1071388515.db2.gz HDAFAVRSSUKYIY-LSDHHAIUSA-N 1 1 494.953 3.964 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@H]1C ZINC001313865256 1071391376 /nfs/dbraw/zinc/39/13/76/1071391376.db2.gz YRDITIBSZQSTJR-SJORKVTESA-N 1 1 453.978 3.546 20 0 JHADMO 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 ZINC001313865211 1071391431 /nfs/dbraw/zinc/39/14/31/1071391431.db2.gz WNTKDWWFKBYLAY-FHWLQOOXSA-N 1 1 474.625 3.781 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865367 1071391921 /nfs/dbraw/zinc/39/19/21/1071391921.db2.gz ANMCFSZUMHVXBL-ZJZGAYNASA-N 1 1 482.717 3.870 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865367 1071391930 /nfs/dbraw/zinc/39/19/30/1071391930.db2.gz ANMCFSZUMHVXBL-ZJZGAYNASA-N 1 1 482.717 3.870 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392200 /nfs/dbraw/zinc/39/22/00/1071392200.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 1 1 482.717 3.870 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392210 /nfs/dbraw/zinc/39/22/10/1071392210.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 1 1 482.717 3.870 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313865742 1071392970 /nfs/dbraw/zinc/39/29/70/1071392970.db2.gz XICKWROYDRJMBC-AABGKKOBSA-N 1 1 486.636 3.735 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001313865679 1071393005 /nfs/dbraw/zinc/39/30/05/1071393005.db2.gz 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/nfs/dbraw/zinc/49/40/87/1071494087.db2.gz XDCMCESQNSMJIO-HSALFYBXSA-N 1 1 462.664 3.635 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313894796 1071494852 /nfs/dbraw/zinc/49/48/52/1071494852.db2.gz CSJLUVSEUXJBOM-GOEBONIOSA-N 1 1 452.386 3.736 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001313895282 1071496387 /nfs/dbraw/zinc/49/63/87/1071496387.db2.gz ZMUGBGVCEHTOQS-CEMLEFRQSA-N 1 1 488.702 3.695 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313895863 1071498815 /nfs/dbraw/zinc/49/88/15/1071498815.db2.gz LGDNFWWOLLQYAA-GHTZIAJQSA-N 1 1 497.562 3.993 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896863 1071501479 /nfs/dbraw/zinc/50/14/79/1071501479.db2.gz RXDBOZJXJZXLFG-IEBWSBKVSA-N 1 1 458.676 3.578 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313897875 1071504279 /nfs/dbraw/zinc/50/42/79/1071504279.db2.gz XZTOTSBPCUOYBY-JBACZVJFSA-N 1 1 460.667 3.702 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313898040 1071504455 /nfs/dbraw/zinc/50/44/55/1071504455.db2.gz NBOIQDTVIOEHDN-FGZHOGPDSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCc2nccs2)C1 ZINC001313898168 1071505075 /nfs/dbraw/zinc/50/50/75/1071505075.db2.gz PCAGNQYKIDMJPX-OALUTQOASA-N 1 1 489.690 3.827 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)C1 ZINC001313898894 1071506355 /nfs/dbraw/zinc/50/63/55/1071506355.db2.gz CXZRVTHWHBTTIF-UYAOXDASSA-N 1 1 478.707 3.819 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001313899006 1071506505 /nfs/dbraw/zinc/50/65/05/1071506505.db2.gz UBCYBIOTXLGJFK-ACRUOGEOSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1ccccc1F ZINC001313900643 1071509513 /nfs/dbraw/zinc/50/95/13/1071509513.db2.gz NVFSWKIVJJDGRX-LJQANCHMSA-N 1 1 458.607 3.772 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC(C)C)C(C)C ZINC001313900409 1071509576 /nfs/dbraw/zinc/50/95/76/1071509576.db2.gz ONLOYJCHILKBEY-JOCHJYFZSA-N 1 1 454.667 3.807 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001313902669 1071514380 /nfs/dbraw/zinc/51/43/80/1071514380.db2.gz IEGPMZIGVQHTND-AYBZRNKSSA-N 1 1 466.399 3.898 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001313900930 1071510146 /nfs/dbraw/zinc/51/01/46/1071510146.db2.gz DOWXQULYSZWXOP-OAQYLSRUSA-N 1 1 450.587 3.786 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001313900929 1071510381 /nfs/dbraw/zinc/51/03/81/1071510381.db2.gz DOWXQULYSZWXOP-NRFANRHFSA-N 1 1 450.587 3.786 20 0 JHADMO CCn1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC[N@H+]2CC)cn1 ZINC001313901723 1071511683 /nfs/dbraw/zinc/51/16/83/1071511683.db2.gz BZOWETLVBQVWIO-JOCHJYFZSA-N 1 1 451.619 3.811 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313903781 1071516035 /nfs/dbraw/zinc/51/60/35/1071516035.db2.gz RYFWDPNFQJWFNS-MSOLQXFVSA-N 1 1 452.525 3.681 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313903955 1071516378 /nfs/dbraw/zinc/51/63/78/1071516378.db2.gz GFMUWOKIXCROSQ-YADHBBJMSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 ZINC001313904028 1071517344 /nfs/dbraw/zinc/51/73/44/1071517344.db2.gz GLRYRXFHVIXQDP-MNLRITNHSA-N 1 1 477.028 3.920 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313904631 1071519262 /nfs/dbraw/zinc/51/92/62/1071519262.db2.gz RLYWSAQFPOTSKA-TZIWHRDSSA-N 1 1 490.048 3.735 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001313906451 1071524150 /nfs/dbraw/zinc/52/41/50/1071524150.db2.gz WGSZCRARZUMBFC-WSTZPKSXSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001313906451 1071524155 /nfs/dbraw/zinc/52/41/55/1071524155.db2.gz WGSZCRARZUMBFC-WSTZPKSXSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313905555 1071521291 /nfs/dbraw/zinc/52/12/91/1071521291.db2.gz VMMXFGXZNMZUTJ-DSKINZAPSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313905322 1071521488 /nfs/dbraw/zinc/52/14/88/1071521488.db2.gz WEJTXAGRHPCOSC-LJQANCHMSA-N 1 1 475.037 3.997 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313906103 1071523483 /nfs/dbraw/zinc/52/34/83/1071523483.db2.gz SLJYCOATTPLBTN-RBUKOAKNSA-N 1 1 495.466 3.540 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001313907058 1071526703 /nfs/dbraw/zinc/52/67/03/1071526703.db2.gz WEBYHRNFHFWQSE-OTWHNJEPSA-N 1 1 478.707 3.865 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313907316 1071527155 /nfs/dbraw/zinc/52/71/55/1071527155.db2.gz BRRLYADSDLVUGV-SJORKVTESA-N 1 1 498.981 3.978 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313907249 1071527462 /nfs/dbraw/zinc/52/74/62/1071527462.db2.gz ZYEJFXLBGNALFA-VLCRHTCISA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313908009 1071528856 /nfs/dbraw/zinc/52/88/56/1071528856.db2.gz GAANQYNASLLQDQ-HXUWFJFHSA-N 1 1 456.038 3.961 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313907719 1071528939 /nfs/dbraw/zinc/52/89/39/1071528939.db2.gz ANEZPZDDFUXGLF-HSZRJFAPSA-N 1 1 492.672 3.706 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908534 1071530380 /nfs/dbraw/zinc/53/03/80/1071530380.db2.gz CYWDCPFCCNPEKI-UXHICEINSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313909543 1071533105 /nfs/dbraw/zinc/53/31/05/1071533105.db2.gz QAVOZYVPCKECDE-RBBKRZOGSA-N 1 1 455.647 3.950 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001313909756 1071533226 /nfs/dbraw/zinc/53/32/26/1071533226.db2.gz CQCMABIAIRJHKC-PCCBWWKXSA-N 1 1 459.660 3.560 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313909759 1071533310 /nfs/dbraw/zinc/53/33/10/1071533310.db2.gz CSHHDJYHAIZAQT-DXIQSLLYSA-N 1 1 473.584 3.924 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001313910057 1071534028 /nfs/dbraw/zinc/53/40/28/1071534028.db2.gz UTBDXZZLSDPOBS-QFIPXVFZSA-N 1 1 452.647 3.871 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313911927 1071538279 /nfs/dbraw/zinc/53/82/79/1071538279.db2.gz FNHCPGYAHHUMCJ-ICSRJNTNSA-N 1 1 467.536 3.807 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313911997 1071538888 /nfs/dbraw/zinc/53/88/88/1071538888.db2.gz GPUDZHHBJLUJNE-OALUTQOASA-N 1 1 498.569 3.943 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001315020193 1071539577 /nfs/dbraw/zinc/53/95/77/1071539577.db2.gz BBKPBIVGTIQVMD-UHFFFAOYSA-N 1 1 496.700 3.706 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001313911139 1071536941 /nfs/dbraw/zinc/53/69/41/1071536941.db2.gz HZAMSLWLPROATK-JOCHJYFZSA-N 1 1 473.065 3.967 20 0 JHADMO 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 1071544931 /nfs/dbraw/zinc/54/49/31/1071544931.db2.gz LSLWLIMLEIWQMA-PLACYPQZSA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001313915794 1071551436 /nfs/dbraw/zinc/55/14/36/1071551436.db2.gz SRWFVWIYFOOQGU-UXHICEINSA-N 1 1 487.670 3.843 20 0 JHADMO 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 1071551958 /nfs/dbraw/zinc/55/19/58/1071551958.db2.gz WJVFVBQUDVIIFI-CZYKHXBRSA-N 1 1 490.693 3.786 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001313916007 1071551976 /nfs/dbraw/zinc/55/19/76/1071551976.db2.gz QLGWGXSXBOUPKT-JOCHJYFZSA-N 1 1 452.647 3.680 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001315028199 1071555539 /nfs/dbraw/zinc/55/55/39/1071555539.db2.gz ANDCZXWJGXUSPZ-RTBURBONSA-N 1 1 452.603 3.774 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920533 1071559182 /nfs/dbraw/zinc/55/91/82/1071559182.db2.gz KEVDHCCLKATWSA-NRFANRHFSA-N 1 1 470.662 3.759 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920552 1071559255 /nfs/dbraw/zinc/55/92/55/1071559255.db2.gz KSEASMYSMDKVMH-SFHVURJKSA-N 1 1 487.446 3.963 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313920547 1071559603 /nfs/dbraw/zinc/55/96/03/1071559603.db2.gz KPIAOGOCKLMBKY-INIZCTEOSA-N 1 1 483.405 3.579 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920474 1071558826 /nfs/dbraw/zinc/55/88/26/1071558826.db2.gz JFYVOXOKUCSETM-LJQANCHMSA-N 1 1 468.671 3.986 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001315031503 1071561118 /nfs/dbraw/zinc/56/11/18/1071561118.db2.gz OSJGDYVVGADGLZ-HXUWFJFHSA-N 1 1 496.681 3.727 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCc2sccc2C1 ZINC001315031503 1071561121 /nfs/dbraw/zinc/56/11/21/1071561121.db2.gz OSJGDYVVGADGLZ-HXUWFJFHSA-N 1 1 496.681 3.727 20 0 JHADMO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921554 1071561968 /nfs/dbraw/zinc/56/19/68/1071561968.db2.gz OXCZKNXDQUVQNU-QHCPKHFHSA-N 1 1 482.673 3.736 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4Cl)n3CC(F)(F)F)CC2)CC1 ZINC001313922007 1071563265 /nfs/dbraw/zinc/56/32/65/1071563265.db2.gz BWUNVTOVCNRNEL-UHFFFAOYSA-N 1 1 498.981 3.931 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C/C=C/c3ccccc3)CC2)CC1 ZINC001313923592 1071567502 /nfs/dbraw/zinc/56/75/02/1071567502.db2.gz QTTCGZMNCHZKRL-DHZHZOJOSA-N 1 1 464.658 3.886 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CC3(CC)CCOCC3)CC2)CC1 ZINC001313923766 1071568072 /nfs/dbraw/zinc/56/80/72/1071568072.db2.gz SJLKVJPWTNBKGX-UHFFFAOYSA-N 1 1 488.721 3.553 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001315035029 1071568094 /nfs/dbraw/zinc/56/80/94/1071568094.db2.gz RETACJLCESQPPD-FQEVSTJZSA-N 1 1 477.053 3.593 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924072 1071569084 /nfs/dbraw/zinc/56/90/84/1071569084.db2.gz YDTLWZSSYHHSLQ-NHCUHLMSSA-N 1 1 483.661 3.582 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313924829 1071572108 /nfs/dbraw/zinc/57/21/08/1071572108.db2.gz JLZTWHSPQOPTPZ-HXUWFJFHSA-N 1 1 470.662 3.615 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001313925698 1071574007 /nfs/dbraw/zinc/57/40/07/1071574007.db2.gz BBKSHDFEHWJJFO-HXUWFJFHSA-N 1 1 483.611 3.595 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925413 1071574129 /nfs/dbraw/zinc/57/41/29/1071574129.db2.gz PZOMGTAVJGBGIO-NRFANRHFSA-N 1 1 479.673 3.771 20 0 JHADMO CNC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001315042045 1071574171 /nfs/dbraw/zinc/57/41/71/1071574171.db2.gz CWRCSOWIXQMUMX-MSOLQXFVSA-N 1 1 475.037 3.518 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313926302 1071576134 /nfs/dbraw/zinc/57/61/34/1071576134.db2.gz WZDWSTMOGCXTKI-PCCBWWKXSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926851 1071578210 /nfs/dbraw/zinc/57/82/10/1071578210.db2.gz GXYSRNWJXMOLMI-JOCHJYFZSA-N 1 1 468.690 3.724 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928040 1071582535 /nfs/dbraw/zinc/58/25/35/1071582535.db2.gz NCDYPFZUKPLGOB-FCHUYYIVSA-N 1 1 482.652 3.502 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928621 1071584421 /nfs/dbraw/zinc/58/44/21/1071584421.db2.gz UNKJJLHPGQEVFZ-YADHBBJMSA-N 1 1 489.709 3.757 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313928639 1071584700 /nfs/dbraw/zinc/58/47/00/1071584700.db2.gz CBXBKGTTZOSEIY-WOJBJXKFSA-N 1 1 475.609 3.673 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929004 1071585072 /nfs/dbraw/zinc/58/50/72/1071585072.db2.gz RCLRJQOEDRQXCR-GOSISDBHSA-N 1 1 478.657 3.505 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001313928919 1071585453 /nfs/dbraw/zinc/58/54/53/1071585453.db2.gz DSWJVMAPCWYBNH-AEFFLSMTSA-N 1 1 480.991 3.827 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313929663 1071587510 /nfs/dbraw/zinc/58/75/10/1071587510.db2.gz ICSKWNJYXFVVLI-NXMSCROESA-N 1 1 457.550 3.588 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930235 1071588662 /nfs/dbraw/zinc/58/86/62/1071588662.db2.gz AKYMXNWNPQBOPB-DYESRHJHSA-N 1 1 486.462 3.869 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313930299 1071589524 /nfs/dbraw/zinc/58/95/24/1071589524.db2.gz BLCPTHKRVLVPPZ-CRAIPNDOSA-N 1 1 469.627 3.926 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930762 1071590477 /nfs/dbraw/zinc/59/04/77/1071590477.db2.gz RKLYZGMLAYLFFK-SFHVURJKSA-N 1 1 461.054 3.870 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071590994 /nfs/dbraw/zinc/59/09/94/1071590994.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 1 1 481.689 3.942 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071591001 /nfs/dbraw/zinc/59/10/01/1071591001.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(COC)cc2)C[C@H]1C ZINC001313931528 1071592469 /nfs/dbraw/zinc/59/24/69/1071592469.db2.gz FCQMKBZUZZOUKF-QGZVFWFLSA-N 1 1 487.446 3.771 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001313931546 1071592672 /nfs/dbraw/zinc/59/26/72/1071592672.db2.gz FHAKINOCVKETTQ-YADARESESA-N 1 1 476.691 3.672 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313933111 1071597298 /nfs/dbraw/zinc/59/72/98/1071597298.db2.gz NGJAVKQGNSUEDF-LJQANCHMSA-N 1 1 459.038 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2OC)C[C@@H]1C ZINC001313933620 1071598359 /nfs/dbraw/zinc/59/83/59/1071598359.db2.gz LULAQJCJYHIDCX-INIZCTEOSA-N 1 1 473.419 3.633 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)C[C@H]1C ZINC001313933690 1071599203 /nfs/dbraw/zinc/59/92/03/1071599203.db2.gz MMFCCAMAQRBOHO-QGZVFWFLSA-N 1 1 457.619 3.938 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313934803 1071603536 /nfs/dbraw/zinc/60/35/36/1071603536.db2.gz TZPCDDWFKJHUDM-JOCHJYFZSA-N 1 1 481.689 3.800 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@H]1C ZINC001313933898 1071599862 /nfs/dbraw/zinc/59/98/62/1071599862.db2.gz OKKSKXGTNXLQDU-HXOBKFHXSA-N 1 1 466.001 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313934097 1071600435 /nfs/dbraw/zinc/60/04/35/1071600435.db2.gz SEUMSVQMJNRNRG-MSOLQXFVSA-N 1 1 458.676 3.577 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934208 1071601012 /nfs/dbraw/zinc/60/10/12/1071601012.db2.gz QNJWAUQIKHSZAV-QZTJIDSGSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)COC)C[C@H]1C ZINC001313934734 1071602998 /nfs/dbraw/zinc/60/29/98/1071602998.db2.gz VGNYRYOVGHXTQP-CQSZACIVSA-N 1 1 456.454 3.972 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604329 /nfs/dbraw/zinc/60/43/29/1071604329.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604330 /nfs/dbraw/zinc/60/43/30/1071604330.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 1 1 492.510 3.841 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313935435 1071604751 /nfs/dbraw/zinc/60/47/51/1071604751.db2.gz WIFOHOYYOLFEMH-QAPCUYQASA-N 1 1 467.456 3.638 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313935144 1071604791 /nfs/dbraw/zinc/60/47/91/1071604791.db2.gz XNSFXLPZXGLTTG-LJQANCHMSA-N 1 1 472.703 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313935576 1071606046 /nfs/dbraw/zinc/60/60/46/1071606046.db2.gz IKRKEARMNGVHGC-QGZVFWFLSA-N 1 1 486.617 3.508 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607203 /nfs/dbraw/zinc/60/72/03/1071607203.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607208 /nfs/dbraw/zinc/60/72/08/1071607208.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 1 1 479.442 3.861 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313936458 1071608600 /nfs/dbraw/zinc/60/86/00/1071608600.db2.gz OFIWTGDCGISHCC-FHWLQOOXSA-N 1 1 457.619 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313936657 1071609101 /nfs/dbraw/zinc/60/91/01/1071609101.db2.gz HJOOMXFDFYSLTP-TZIWHRDSSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313939005 1071612680 /nfs/dbraw/zinc/61/26/80/1071612680.db2.gz ZQBSENKGRUYRBF-BHIFYINESA-N 1 1 490.693 3.882 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613435 /nfs/dbraw/zinc/61/34/35/1071613435.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 1 1 459.708 3.819 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613439 /nfs/dbraw/zinc/61/34/39/1071613439.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 1 1 459.708 3.819 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313939586 1071613466 /nfs/dbraw/zinc/61/34/66/1071613466.db2.gz DKNDEKITTXUCAQ-INIZCTEOSA-N 1 1 450.509 3.807 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313939778 1071613978 /nfs/dbraw/zinc/61/39/78/1071613978.db2.gz GPCUJVPHQNNZAH-IBGZPJMESA-N 1 1 460.667 3.941 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614047 /nfs/dbraw/zinc/61/40/47/1071614047.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 1 1 452.672 3.981 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614049 /nfs/dbraw/zinc/61/40/49/1071614049.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 1 1 452.672 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313940345 1071614827 /nfs/dbraw/zinc/61/48/27/1071614827.db2.gz WCZGRACUBPUNFH-WOJBJXKFSA-N 1 1 469.634 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313940349 1071614919 /nfs/dbraw/zinc/61/49/19/1071614919.db2.gz WDLMGMYURSCRHG-OALUTQOASA-N 1 1 450.553 3.668 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313941291 1071616155 /nfs/dbraw/zinc/61/61/55/1071616155.db2.gz BAASIBOIMQYKHR-HSZRJFAPSA-N 1 1 454.663 3.736 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313940979 1071616251 /nfs/dbraw/zinc/61/62/51/1071616251.db2.gz RDRMNPRZJKBWCU-HXUWFJFHSA-N 1 1 478.607 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313941496 1071617520 /nfs/dbraw/zinc/61/75/20/1071617520.db2.gz VMQMPWOZSIHDTA-ROUUACIJSA-N 1 1 470.643 3.640 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313941504 1071617533 /nfs/dbraw/zinc/61/75/33/1071617533.db2.gz VSNDLSNJAHHAOH-GOSISDBHSA-N 1 1 486.567 3.647 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618914 /nfs/dbraw/zinc/61/89/14/1071618914.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618919 /nfs/dbraw/zinc/61/89/19/1071618919.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942540 1071620255 /nfs/dbraw/zinc/62/02/55/1071620255.db2.gz JRBDLGHBZSMKTB-FQEVSTJZSA-N 1 1 486.661 3.999 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942352 1071620333 /nfs/dbraw/zinc/62/03/33/1071620333.db2.gz PQZFXRAEESVDQF-YLJYHZDGSA-N 1 1 477.535 3.629 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945743 1071626732 /nfs/dbraw/zinc/62/67/32/1071626732.db2.gz KDOFVGLRDGWFNT-IBGZPJMESA-N 1 1 492.615 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313945527 1071626857 /nfs/dbraw/zinc/62/68/57/1071626857.db2.gz IRIILWIYMOSOFE-IBGZPJMESA-N 1 1 454.022 3.950 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945822 1071627384 /nfs/dbraw/zinc/62/73/84/1071627384.db2.gz URMGRQSGNAXZPL-IBGZPJMESA-N 1 1 476.467 3.608 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C(C)C)C[C@H]1C ZINC001313943782 1071623880 /nfs/dbraw/zinc/62/38/80/1071623880.db2.gz VYBNYUAJBUWCTH-JOCHJYFZSA-N 1 1 465.646 3.873 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944329 1071624962 /nfs/dbraw/zinc/62/49/62/1071624962.db2.gz AXIZBAKIGQUQCH-XMMPIXPASA-N 1 1 468.690 3.621 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001313945109 1071625543 /nfs/dbraw/zinc/62/55/43/1071625543.db2.gz YINGCMYFBROZJU-CTNGQTDRSA-N 1 1 464.614 3.903 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)C[C@@H]1C ZINC001313946558 1071628448 /nfs/dbraw/zinc/62/84/48/1071628448.db2.gz BFMPTACERWOWOQ-CVEARBPZSA-N 1 1 456.418 3.977 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946405 1071628556 /nfs/dbraw/zinc/62/85/56/1071628556.db2.gz BQDMYGOVPRKJHF-UPVQGACJSA-N 1 1 468.690 3.895 20 0 JHADMO 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 1071630411 /nfs/dbraw/zinc/63/04/11/1071630411.db2.gz VHYHYAAKKDFCKM-IVAOSVALSA-N 1 1 474.694 3.900 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313947130 1071630898 /nfs/dbraw/zinc/63/08/98/1071630898.db2.gz FSISTPUARPCIBX-IBGZPJMESA-N 1 1 452.578 3.899 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634020 /nfs/dbraw/zinc/63/40/20/1071634020.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 1 1 470.662 3.661 20 0 JHADMO CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634024 /nfs/dbraw/zinc/63/40/24/1071634024.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 1 1 470.662 3.661 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634033 /nfs/dbraw/zinc/63/40/33/1071634033.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 1 1 470.662 3.661 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634037 /nfs/dbraw/zinc/63/40/37/1071634037.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 1 1 470.662 3.661 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948486 1071634041 /nfs/dbraw/zinc/63/40/41/1071634041.db2.gz QVTICFGOPMLSEB-LADGPHEKSA-N 1 1 467.706 3.608 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949261 1071635882 /nfs/dbraw/zinc/63/58/82/1071635882.db2.gz XBZJCHOZTBISJS-SFHVURJKSA-N 1 1 466.552 3.512 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949259 1071635907 /nfs/dbraw/zinc/63/59/07/1071635907.db2.gz XBZJCHOZTBISJS-GOSISDBHSA-N 1 1 466.552 3.512 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636496 /nfs/dbraw/zinc/63/64/96/1071636496.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636500 /nfs/dbraw/zinc/63/65/00/1071636500.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313949735 1071637059 /nfs/dbraw/zinc/63/70/59/1071637059.db2.gz RAEPJABKUPNFTG-INIZCTEOSA-N 1 1 489.393 3.732 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313950380 1071638134 /nfs/dbraw/zinc/63/81/34/1071638134.db2.gz PAXYZYZGWUKHHM-CEXWTWQISA-N 1 1 492.510 3.792 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3CC(C)(C)SC)C2)CC1 ZINC001313950495 1071638923 /nfs/dbraw/zinc/63/89/23/1071638923.db2.gz UGVQFBLAKXHBSD-JOCHJYFZSA-N 1 1 486.730 3.832 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001313951116 1071640468 /nfs/dbraw/zinc/64/04/68/1071640468.db2.gz ZJEIJRNAFAZHCV-MRXNPFEDSA-N 1 1 458.607 3.843 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)C[C@@H]1C ZINC001313951112 1071640566 /nfs/dbraw/zinc/64/05/66/1071640566.db2.gz ZHLBQBNASWIVMI-DVBNTOJCSA-N 1 1 498.672 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951355 1071641765 /nfs/dbraw/zinc/64/17/65/1071641765.db2.gz GVWREHITTBDKNR-XMSQKQJNSA-N 1 1 479.044 3.832 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951639 1071643084 /nfs/dbraw/zinc/64/30/84/1071643084.db2.gz AMMNAKHUBLGKGI-VXKWHMMOSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951637 1071643087 /nfs/dbraw/zinc/64/30/87/1071643087.db2.gz AMMNAKHUBLGKGI-FCHUYYIVSA-N 1 1 486.730 3.949 20 0 JHADMO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952204 1071644292 /nfs/dbraw/zinc/64/42/92/1071644292.db2.gz YFBMCLUMKVJQBQ-JTHBVZDNSA-N 1 1 484.664 3.914 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313953020 1071647128 /nfs/dbraw/zinc/64/71/28/1071647128.db2.gz DMUCCGKSALJUTD-UYAOXDASSA-N 1 1 479.595 3.701 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953312 1071648353 /nfs/dbraw/zinc/64/83/53/1071648353.db2.gz XLDGHYRATVPWHN-RBBKRZOGSA-N 1 1 472.703 3.762 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCSC[C@H]2C)CC1 ZINC001313953632 1071648905 /nfs/dbraw/zinc/64/89/05/1071648905.db2.gz JSAYRUJGSPSSBB-LJQANCHMSA-N 1 1 463.095 3.958 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313953950 1071649035 /nfs/dbraw/zinc/64/90/35/1071649035.db2.gz KFHIEPGTFJLGPG-XMMPIXPASA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCCC2(C)C)CC1 ZINC001313954052 1071650026 /nfs/dbraw/zinc/65/00/26/1071650026.db2.gz MLHMXZHLCUYMKO-UHFFFAOYSA-N 1 1 460.617 3.944 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313953932 1071650036 /nfs/dbraw/zinc/65/00/36/1071650036.db2.gz LOHYJRFGVZHMFE-ZEQRLZLVSA-N 1 1 468.690 3.984 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313953901 1071650041 /nfs/dbraw/zinc/65/00/41/1071650041.db2.gz KSULKIFSWVJWFS-XZOQPEGZSA-N 1 1 468.690 3.920 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001313954134 1071650512 /nfs/dbraw/zinc/65/05/12/1071650512.db2.gz OBTQAUCXBWMOIU-WOJBJXKFSA-N 1 1 476.616 3.675 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313956234 1071657347 /nfs/dbraw/zinc/65/73/47/1071657347.db2.gz XXWAMKUNPMBXIL-NFBKMPQASA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954754 1071652845 /nfs/dbraw/zinc/65/28/45/1071652845.db2.gz CIVMRNASBSYPQD-NRFANRHFSA-N 1 1 482.076 3.827 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313955648 1071656140 /nfs/dbraw/zinc/65/61/40/1071656140.db2.gz YBUORHQLZXBPAT-LEWJYISDSA-N 1 1 472.703 3.702 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313955593 1071656185 /nfs/dbraw/zinc/65/61/85/1071656185.db2.gz SZUUGTCAZZDHAK-RTBURBONSA-N 1 1 463.095 3.814 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313957605 1071660683 /nfs/dbraw/zinc/66/06/83/1071660683.db2.gz QTYMAPOXWGOVGA-FKBYEOEOSA-N 1 1 456.654 3.764 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313957497 1071660725 /nfs/dbraw/zinc/66/07/25/1071660725.db2.gz HNBQXEKZVUOKRJ-UHFFFAOYSA-N 1 1 468.646 3.970 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957631 1071661335 /nfs/dbraw/zinc/66/13/35/1071661335.db2.gz RBAKKJOZZVYXAW-HXUWFJFHSA-N 1 1 476.616 3.593 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313958079 1071663047 /nfs/dbraw/zinc/66/30/47/1071663047.db2.gz PAASAFSRPIUYIU-UHFFFAOYSA-N 1 1 479.044 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313958124 1071662943 /nfs/dbraw/zinc/66/29/43/1071662943.db2.gz UJKFYMMGUXXZTH-VABKMULXSA-N 1 1 486.730 3.769 20 0 JHADMO CCN1CC[NH+](CCCn2c(N3CCC(OCc4ccccc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313959220 1071666090 /nfs/dbraw/zinc/66/60/90/1071666090.db2.gz NDAGORCUXPCFGV-UHFFFAOYSA-N 1 1 486.680 3.928 20 0 JHADMO CCn1nc(-c2nnc(N(C)CC(C)(C)C)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313959385 1071666906 /nfs/dbraw/zinc/66/69/06/1071666906.db2.gz RHLVWERADNVSBC-UHFFFAOYSA-N 1 1 453.635 3.888 20 0 JHADMO CCn1nc(-c2nnc(N(C)CCC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2c1=O ZINC001313959825 1071668034 /nfs/dbraw/zinc/66/80/34/1071668034.db2.gz AAXQFIWKVPEMDM-NRFANRHFSA-N 1 1 495.672 3.658 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2ccn(C)n2)CC1 ZINC001313960244 1071669816 /nfs/dbraw/zinc/66/98/16/1071669816.db2.gz GJHYMFJTPXHAAT-UHFFFAOYSA-N 1 1 493.443 3.669 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313960379 1071669845 /nfs/dbraw/zinc/66/98/45/1071669845.db2.gz KFQYIJIQQMXQEV-SSGKUCQKSA-N 1 1 460.711 3.707 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960530 1071669967 /nfs/dbraw/zinc/66/99/67/1071669967.db2.gz KLYVRGDVCFNBNB-ISKFKSNPSA-N 1 1 484.689 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313960798 1071671108 /nfs/dbraw/zinc/67/11/08/1071671108.db2.gz MQXMTRKIEGMZQD-HXUWFJFHSA-N 1 1 483.611 3.767 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001313966309 1071685762 /nfs/dbraw/zinc/68/57/62/1071685762.db2.gz AUARCTGUOOASRS-UHFFFAOYSA-N 1 1 474.053 3.611 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313968111 1071691012 /nfs/dbraw/zinc/69/10/12/1071691012.db2.gz PPJGFPKJUCJMQV-SZPZYZBQSA-N 1 1 496.700 3.741 20 0 JHADMO CCNC(=O)C1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CCC1 ZINC001313975528 1071706017 /nfs/dbraw/zinc/70/60/17/1071706017.db2.gz RQKFBCGNLHIDRT-RTBURBONSA-N 1 1 489.064 3.908 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313976630 1071709074 /nfs/dbraw/zinc/70/90/74/1071709074.db2.gz GWAZOBCFNOYJBL-UHFFFAOYSA-N 1 1 472.703 3.962 20 0 JHADMO CCNC(=O)C1(Cn2c(N3CC[NH+](Cc4ccc(OCC)cc4)CC3)nnc2C(C)(C)C)CCC1 ZINC001313980388 1071716319 /nfs/dbraw/zinc/71/63/19/1071716319.db2.gz RGWHXJRNMYFKOC-UHFFFAOYSA-N 1 1 482.673 3.603 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001313985197 1071723142 /nfs/dbraw/zinc/72/31/42/1071723142.db2.gz NTBVYPDFDIUSCS-UHFFFAOYSA-N 1 1 452.647 3.729 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001313994595 1071730411 /nfs/dbraw/zinc/73/04/11/1071730411.db2.gz QQGYHUUYSSETRT-QHCPKHFHSA-N 1 1 481.689 3.727 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001314026587 1071789354 /nfs/dbraw/zinc/78/93/54/1071789354.db2.gz RUTGHFHHSAOURK-RBUKOAKNSA-N 1 1 460.598 3.775 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001314035333 1071822267 /nfs/dbraw/zinc/82/22/67/1071822267.db2.gz XKIHNZMNTZWHTF-JRFVFWCSSA-N 1 1 498.672 3.654 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001314037085 1071829581 /nfs/dbraw/zinc/82/95/81/1071829581.db2.gz JVDZMSTULZPQJI-XZOQPEGZSA-N 1 1 486.636 3.987 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001314044359 1071856333 /nfs/dbraw/zinc/85/63/33/1071856333.db2.gz JQUVHUKMQWDVKF-KNQAVFIVSA-N 1 1 475.609 3.673 20 0 JHADMO CCO[C@@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001314073071 1071925655 /nfs/dbraw/zinc/92/56/55/1071925655.db2.gz GGIURFZBBRXVCD-OEMFJLHTSA-N 1 1 451.619 3.617 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314080803 1071942457 /nfs/dbraw/zinc/94/24/57/1071942457.db2.gz GHJQVUWVJXSGLG-ATIYNZHBSA-N 1 1 455.647 3.995 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[C@@H](SCC)C3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314077972 1071936975 /nfs/dbraw/zinc/93/69/75/1071936975.db2.gz CNVANPLSUIOZOI-GECPAALWSA-N 1 1 465.708 3.915 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001314081287 1071943650 /nfs/dbraw/zinc/94/36/50/1071943650.db2.gz XHJMBWSPUXLVNE-UUOWRZLLSA-N 1 1 461.557 3.668 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cscn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314085295 1071954120 /nfs/dbraw/zinc/95/41/20/1071954120.db2.gz DLEANPUDZKXNLN-WZONZLPQSA-N 1 1 462.664 3.534 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314085586 1071954525 /nfs/dbraw/zinc/95/45/25/1071954525.db2.gz PRARWHCHALGJAH-HHJKRLRDSA-N 1 1 477.600 3.965 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001314085733 1071955116 /nfs/dbraw/zinc/95/51/16/1071955116.db2.gz WRAKPTFLCIFRNN-NZQKXSOJSA-N 1 1 481.563 3.983 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314088065 1071962328 /nfs/dbraw/zinc/96/23/28/1071962328.db2.gz DDGDSSNKRHEMAZ-MHECFPHRSA-N 1 1 476.691 3.842 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)[C@H](C)C3CCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314091148 1071968039 /nfs/dbraw/zinc/96/80/39/1071968039.db2.gz DQKNYAMQPBZYMN-SBZFUYPRSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)[C@H](C)C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314091148 1071968044 /nfs/dbraw/zinc/96/80/44/1071968044.db2.gz DQKNYAMQPBZYMN-SBZFUYPRSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093906 1071971848 /nfs/dbraw/zinc/97/18/48/1071971848.db2.gz IAUBMOKNBLLSAF-KHCICDEESA-N 1 1 461.676 3.888 20 0 JHADMO 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 1071974683 /nfs/dbraw/zinc/97/46/83/1071974683.db2.gz NMKDCWVWVMHRIT-QPXQOZNCSA-N 1 1 453.697 3.627 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001314109542 1072002893 /nfs/dbraw/zinc/00/28/93/1072002893.db2.gz CMGMCFMQBGQQOW-YADARESESA-N 1 1 476.691 3.747 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001314115379 1072013012 /nfs/dbraw/zinc/01/30/12/1072013012.db2.gz ZIIJISNAPXXHMX-UGKGYDQZSA-N 1 1 455.594 3.820 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCc4cc(Cl)ccc4C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001314119562 1072021060 /nfs/dbraw/zinc/02/10/60/1072021060.db2.gz JEEOJLVPDPLCAG-DEOSSOPVSA-N 1 1 462.038 3.877 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccccc2CC)CCOC1 ZINC001314124502 1072030158 /nfs/dbraw/zinc/03/01/58/1072030158.db2.gz NMWVURMVXVPQNZ-AREMUKBSSA-N 1 1 455.647 3.852 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@H](c4nc(C)cs4)C3)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001314126653 1072035456 /nfs/dbraw/zinc/03/54/56/1072035456.db2.gz RUMIOQBGEMYBIX-MZLICYQSSA-N 1 1 476.691 3.809 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@@H](c4nc(C)cs4)C3)n2CC[N@@H+](C)[C@H](C)CC)CCOC1 ZINC001314126656 1072035580 /nfs/dbraw/zinc/03/55/80/1072035580.db2.gz RUMIOQBGEMYBIX-YOSAUDMPSA-N 1 1 476.691 3.809 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@](C)(O)[C@@H](C)CC)CCOC1 ZINC001314138027 1072049539 /nfs/dbraw/zinc/04/95/39/1072049539.db2.gz QXCYYCPLIUJMTB-QPNVDGBVSA-N 1 1 491.702 3.672 20 0 JHADMO CCc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001305924072 1068219932 /nfs/dbraw/zinc/21/99/32/1068219932.db2.gz LHWSDDDMKQGRFQ-BGYRXZFFSA-N 1 1 452.603 3.940 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001305934621 1068235627 /nfs/dbraw/zinc/23/56/27/1068235627.db2.gz MIBRBUAGRIXJHB-SZPZYZBQSA-N 1 1 496.700 3.607 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305937315 1068241705 /nfs/dbraw/zinc/24/17/05/1068241705.db2.gz KUSOYPZTFYQNLE-NRFANRHFSA-N 1 1 495.590 3.758 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@@H](CCOC)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305937833 1068242922 /nfs/dbraw/zinc/24/29/22/1068242922.db2.gz YGRYEFQXBNJPTD-UPVQGACJSA-N 1 1 455.647 3.727 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CC(C)(C)CCOC)cc1 ZINC001305945714 1068259668 /nfs/dbraw/zinc/25/96/68/1068259668.db2.gz MMDUASDPGBQHKB-UHFFFAOYSA-N 1 1 496.700 3.705 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CC(C)(C)CCOC)cc1 ZINC001305945714 1068259679 /nfs/dbraw/zinc/25/96/79/1068259679.db2.gz MMDUASDPGBQHKB-UHFFFAOYSA-N 1 1 496.700 3.705 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950229 1068272211 /nfs/dbraw/zinc/27/22/11/1068272211.db2.gz MRQPBIFIJQWSPB-OAQYLSRUSA-N 1 1 454.663 3.539 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@H]2CCC[C@H]2OC)cc1 ZINC001305951581 1068275506 /nfs/dbraw/zinc/27/55/06/1068275506.db2.gz WHCMJAPINUCCDB-WXFUMESZSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(CCn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)cc1 ZINC001305957997 1068287603 /nfs/dbraw/zinc/28/76/03/1068287603.db2.gz RCKANISHKYGEMF-QHCPKHFHSA-N 1 1 450.631 3.636 20 0 JHADMO CCc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](CCOC)CC2)s1 ZINC001305961973 1068294030 /nfs/dbraw/zinc/29/40/30/1068294030.db2.gz NQLHDVWPKLZSLD-GOSISDBHSA-N 1 1 473.618 3.998 20 0 JHADMO 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CCc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001306135697 1068539018 /nfs/dbraw/zinc/53/90/18/1068539018.db2.gz ZLNSZXDGEVYHFP-HXUWFJFHSA-N 1 1 471.650 3.773 20 0 JHADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001306142067 1068543193 /nfs/dbraw/zinc/54/31/93/1068543193.db2.gz LOLPXRKMWDFRSN-QZTJIDSGSA-N 1 1 458.676 3.730 20 0 JHADMO O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC001306149370 1068551641 /nfs/dbraw/zinc/55/16/41/1068551641.db2.gz BPJPQYVNUYXDEV-UHFFFAOYSA-N 1 1 455.628 3.587 20 0 JHADMO CCc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306152812 1068552529 /nfs/dbraw/zinc/55/25/29/1068552529.db2.gz TVKAISOYNKCRBR-FQEVSTJZSA-N 1 1 462.436 3.523 20 0 JHADMO CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001306161288 1068557558 /nfs/dbraw/zinc/55/75/58/1068557558.db2.gz IFXOGSZJZIRDMB-TZIWHRDSSA-N 1 1 487.718 3.747 20 0 JHADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306172118 1068566941 /nfs/dbraw/zinc/56/69/41/1068566941.db2.gz WZKGMAXTPXHKPI-RPWUZVMVSA-N 1 1 466.674 3.884 20 0 JHADMO CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001306180394 1068571342 /nfs/dbraw/zinc/57/13/42/1068571342.db2.gz KOZVTFLGXDTUPZ-NRFANRHFSA-N 1 1 464.580 3.826 20 0 JHADMO CCc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001306183592 1068573742 /nfs/dbraw/zinc/57/37/42/1068573742.db2.gz GDFVWUWTDSIKMP-LJQANCHMSA-N 1 1 474.600 3.736 20 0 JHADMO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001306195070 1068586027 /nfs/dbraw/zinc/58/60/27/1068586027.db2.gz JSJNSCRMNCUDDX-FQEVSTJZSA-N 1 1 465.646 3.942 20 0 JHADMO CCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001306195403 1068586656 /nfs/dbraw/zinc/58/66/56/1068586656.db2.gz PGAKLCNAVNDLJN-GOSISDBHSA-N 1 1 470.618 3.663 20 0 JHADMO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001306197053 1068589382 /nfs/dbraw/zinc/58/93/82/1068589382.db2.gz AMGCADUDSQGXAE-UHFFFAOYSA-N 1 1 454.667 3.511 20 0 JHADMO CCc1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001306197684 1068590001 /nfs/dbraw/zinc/59/00/01/1068590001.db2.gz BQTNQTQQZSGQOH-HXUWFJFHSA-N 1 1 453.660 3.843 20 0 JHADMO CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001306205092 1068594952 /nfs/dbraw/zinc/59/49/52/1068594952.db2.gz DCLVQOAHBVUKMF-QFIPXVFZSA-N 1 1 454.663 3.826 20 0 JHADMO CCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cccnc1OCC(F)F ZINC001306205230 1068595590 /nfs/dbraw/zinc/59/55/90/1068595590.db2.gz HAQLWWQSUATLPW-GOSISDBHSA-N 1 1 456.541 3.638 20 0 JHADMO CCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](C)COc1ccccc1OC ZINC001306205565 1068596180 /nfs/dbraw/zinc/59/61/80/1068596180.db2.gz NYOISNORJQBEOX-IBGZPJMESA-N 1 1 455.628 3.948 20 0 JHADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC1(CCOC)CCCCC1 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CC[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306308792 1068727612 /nfs/dbraw/zinc/72/76/12/1068727612.db2.gz PTAOGXNKRJVSSD-MTQWCTHYSA-N 1 1 494.731 3.659 20 0 JHADMO 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 1068734733 /nfs/dbraw/zinc/73/47/33/1068734733.db2.gz POAZPIOPAIKTQN-JMJGKCIBSA-N 1 1 458.695 3.781 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306316803 1068736792 /nfs/dbraw/zinc/73/67/92/1068736792.db2.gz GVAYAWHKYTYSBK-XLIONFOSSA-N 1 1 489.462 3.639 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001306317619 1068739283 /nfs/dbraw/zinc/73/92/83/1068739283.db2.gz LAAUNZKFXWKDNF-QZTJIDSGSA-N 1 1 461.561 3.671 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306317934 1068739917 /nfs/dbraw/zinc/73/99/17/1068739917.db2.gz LVRJYJQQTMIADY-DEOSSOPVSA-N 1 1 495.672 3.517 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306318293 1068741404 /nfs/dbraw/zinc/74/14/04/1068741404.db2.gz FQWPUUYRQLITBX-TZIWHRDSSA-N 1 1 463.630 3.576 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001306318559 1068742084 /nfs/dbraw/zinc/74/20/84/1068742084.db2.gz GYSZYSZVFRBBAA-QGZVFWFLSA-N 1 1 462.549 3.604 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001306319566 1068745958 /nfs/dbraw/zinc/74/59/58/1068745958.db2.gz ULFOOCVIJBIXCT-HMXCVIKNSA-N 1 1 474.675 3.709 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306320345 1068748696 /nfs/dbraw/zinc/74/86/96/1068748696.db2.gz UIKPHHVQIRJFCX-NRFANRHFSA-N 1 1 485.629 3.616 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306321750 1068752294 /nfs/dbraw/zinc/75/22/94/1068752294.db2.gz BMFRHCVBMMHADQ-OAQYLSRUSA-N 1 1 494.606 3.826 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306322103 1068753061 /nfs/dbraw/zinc/75/30/61/1068753061.db2.gz CILDPQDCNBMXFX-JOCHJYFZSA-N 1 1 470.662 3.913 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC)C1 ZINC001306322468 1068753639 /nfs/dbraw/zinc/75/36/39/1068753639.db2.gz GEIHMOMQSGECQF-VWNXMTODSA-N 1 1 455.647 3.952 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1scnc1C ZINC001306322702 1068754625 /nfs/dbraw/zinc/75/46/25/1068754625.db2.gz ITNDHEBMPLARGN-ZVDOUQERSA-N 1 1 462.664 3.668 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001306322959 1068755126 /nfs/dbraw/zinc/75/51/26/1068755126.db2.gz NIRJHFPCVRPMOR-TZIWHRDSSA-N 1 1 475.037 3.662 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306323027 1068755825 /nfs/dbraw/zinc/75/58/25/1068755825.db2.gz NSDYIKYUTGVZBW-PMACEKPBSA-N 1 1 479.595 3.986 20 0 JHADMO 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c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)C2)cc1 ZINC001164879770 721247578 /nfs/dbraw/zinc/24/75/78/721247578.db2.gz YRNURQJPLPQRCI-RCXJIHSJSA-N 1 1 457.578 3.635 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)C2)cc1 ZINC001164879770 721247582 /nfs/dbraw/zinc/24/75/82/721247582.db2.gz YRNURQJPLPQRCI-RCXJIHSJSA-N 1 1 457.578 3.635 20 0 JHADMO COc1ccc2c(c1)nc(N1CCC3(CC1)COCC[N@@H+](CC(=O)N(C)C)C3)cc2-c1ccccc1 ZINC001164873538 721285599 /nfs/dbraw/zinc/28/55/99/721285599.db2.gz OCAGYSFHOWRRBO-UHFFFAOYSA-N 1 1 488.632 3.917 20 0 JHADMO Cc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)n2)s1 ZINC001164878549 721286644 /nfs/dbraw/zinc/28/66/44/721286644.db2.gz QZYJSZUJWUKMGN-UHFFFAOYSA-N 1 1 479.650 3.674 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873121 721305007 /nfs/dbraw/zinc/30/50/07/721305007.db2.gz AJXURTNICUIJND-LIONHTAISA-N 1 1 463.626 3.571 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164880871 721309757 /nfs/dbraw/zinc/30/97/57/721309757.db2.gz SWBJQMXEBWNGLS-ZDXQCDESSA-N 1 1 454.640 3.776 20 0 JHADMO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164882928 721344240 /nfs/dbraw/zinc/34/42/40/721344240.db2.gz IYAWZHMGJMPGML-JIPXPUAJSA-N 1 1 495.693 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164779799 721345351 /nfs/dbraw/zinc/34/53/51/721345351.db2.gz WSNGCYYFERHBPG-NRFANRHFSA-N 1 1 450.008 3.502 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164779799 721345355 /nfs/dbraw/zinc/34/53/55/721345355.db2.gz WSNGCYYFERHBPG-NRFANRHFSA-N 1 1 450.008 3.502 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164776174 721348377 /nfs/dbraw/zinc/34/83/77/721348377.db2.gz AIPLMJFCEIYACH-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164776174 721348383 /nfs/dbraw/zinc/34/83/83/721348383.db2.gz AIPLMJFCEIYACH-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO CCOC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164782227 721362272 /nfs/dbraw/zinc/36/22/72/721362272.db2.gz LKLDDNIUYWWFDD-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164782227 721362275 /nfs/dbraw/zinc/36/22/75/721362275.db2.gz LKLDDNIUYWWFDD-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO Cn1cc(N2C[C@]3(CCN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C3)CC2=O)cn1 ZINC001164886608 721373237 /nfs/dbraw/zinc/37/32/37/721373237.db2.gz MOWQVFJWNCPGKG-AREMUKBSSA-N 1 1 487.633 3.787 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164781595 721396446 /nfs/dbraw/zinc/39/64/46/721396446.db2.gz CDQIOADXHASHHG-KDURUIRLSA-N 1 1 467.042 3.713 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164781595 721396451 /nfs/dbraw/zinc/39/64/51/721396451.db2.gz CDQIOADXHASHHG-KDURUIRLSA-N 1 1 467.042 3.713 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)O2)CC1 ZINC001164883473 721412062 /nfs/dbraw/zinc/41/20/62/721412062.db2.gz ABBVTAMTSLYZLL-IIBYNOLFSA-N 1 1 453.965 3.527 20 0 JHADMO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891951 721418918 /nfs/dbraw/zinc/41/89/18/721418918.db2.gz WXKPOGKULFQKIM-YWEHKCAJSA-N 1 1 459.638 3.850 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889519 721425493 /nfs/dbraw/zinc/42/54/93/721425493.db2.gz BFXMYSFUGIAAQT-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890786 721431793 /nfs/dbraw/zinc/43/17/93/721431793.db2.gz FSKQJVJHSLXDFO-OUTSHDOLSA-N 1 1 471.649 3.986 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164893020 721433096 /nfs/dbraw/zinc/43/30/96/721433096.db2.gz ISTNTFFRSXBEQS-AFMDSPMNSA-N 1 1 487.044 3.830 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C3)O2)CC1 ZINC001164895837 721442693 /nfs/dbraw/zinc/44/26/93/721442693.db2.gz QGPRKNWNRJDQEA-CPJSRVTESA-N 1 1 480.638 3.626 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C3)O2)CC1 ZINC001164895836 721443039 /nfs/dbraw/zinc/44/30/39/721443039.db2.gz QGPRKNWNRJDQEA-CJFMBICVSA-N 1 1 480.638 3.626 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(SCc5ccccc5)n4)C3)O2)CC1 ZINC001164890215 721445013 /nfs/dbraw/zinc/44/50/13/721445013.db2.gz CJWSUISSAJHFEU-WIOPSUGQSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(SCc5ccccc5)n4)C3)O2)CC1 ZINC001164890212 721445141 /nfs/dbraw/zinc/44/51/41/721445141.db2.gz CJWSUISSAJHFEU-DHLKQENFSA-N 1 1 453.656 3.534 20 0 JHADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164887082 721448618 /nfs/dbraw/zinc/44/86/18/721448618.db2.gz IPBJKJORXVURAI-OFVILXPXSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4)C3)O2)CC1 ZINC001164892783 721450601 /nfs/dbraw/zinc/45/06/01/721450601.db2.gz YELPCTQBWCVHQX-RDPSFJRHSA-N 1 1 458.006 3.688 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164790311 721451967 /nfs/dbraw/zinc/45/19/67/721451967.db2.gz YBCZZDCISIZTET-VWLOTQADSA-N 1 1 492.664 3.746 20 0 JHADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887903 721453799 /nfs/dbraw/zinc/45/37/99/721453799.db2.gz KWINDWHNSVGYSE-UUOWRZLLSA-N 1 1 462.997 3.801 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164790171 721455763 /nfs/dbraw/zinc/45/57/63/721455763.db2.gz XCUHRNBELHXEBS-FQEVSTJZSA-N 1 1 475.634 3.558 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5O[C@@H](C(=O)NCC6CC6)C[C@@H]53)n2)CCC4)CC1 ZINC001164885917 721459156 /nfs/dbraw/zinc/45/91/56/721459156.db2.gz FWWWONOFMAHTCT-PCCBWWKXSA-N 1 1 495.693 3.674 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@@H]32)n1 ZINC001164886501 721459298 /nfs/dbraw/zinc/45/92/98/721459298.db2.gz GWURQTCHLCESGJ-PCCBWWKXSA-N 1 1 477.634 3.682 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2c1 ZINC001164788633 721459982 /nfs/dbraw/zinc/45/99/82/721459982.db2.gz UXKPPSDWNOAHCG-JOCHJYFZSA-N 1 1 482.625 3.540 20 0 JHADMO CCOc1ccc2ncnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2c1 ZINC001164784935 721460922 /nfs/dbraw/zinc/46/09/22/721460922.db2.gz KWIDWXKKFQPVOO-NRFANRHFSA-N 1 1 454.615 3.762 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164786514 721461425 /nfs/dbraw/zinc/46/14/25/721461425.db2.gz OKVWHGAIMDRYTI-JOCHJYFZSA-N 1 1 493.092 3.951 20 0 JHADMO CCOC(=O)c1c(C)cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1C ZINC001164784970 721461787 /nfs/dbraw/zinc/46/17/87/721461787.db2.gz LDYXQRPVVKVAAM-JOCHJYFZSA-N 1 1 459.631 3.609 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164785827 721464630 /nfs/dbraw/zinc/46/46/30/721464630.db2.gz NTDVTSRRCVBBKZ-HXUWFJFHSA-N 1 1 455.647 3.989 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164788734 721465033 /nfs/dbraw/zinc/46/50/33/721465033.db2.gz JESNVJZOQWQRHQ-LOSJGSFVSA-N 1 1 485.669 3.872 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164791150 721466047 /nfs/dbraw/zinc/46/60/47/721466047.db2.gz UVMASKNQGOTQKC-JOCHJYFZSA-N 1 1 451.615 3.581 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164788796 721466846 /nfs/dbraw/zinc/46/68/46/721466846.db2.gz LAMNTJRNCDVYGJ-RDGATRHJSA-N 1 1 484.685 3.688 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164786477 721467388 /nfs/dbraw/zinc/46/73/88/721467388.db2.gz BKSQGWVAUNNIGM-QHCPKHFHSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 ZINC001164791826 721467939 /nfs/dbraw/zinc/46/79/39/721467939.db2.gz ZSRUILQHWJQJKU-GOSISDBHSA-N 1 1 458.981 3.717 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)n1 ZINC001164793667 721482308 /nfs/dbraw/zinc/48/23/08/721482308.db2.gz XMOCDQVYSDENNT-AQNXPRMDSA-N 1 1 487.670 3.545 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164894820 721483568 /nfs/dbraw/zinc/48/35/68/721483568.db2.gz JDYYWZCOYZCGMB-KBMIEXCESA-N 1 1 471.671 3.519 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164892721 721484309 /nfs/dbraw/zinc/48/43/09/721484309.db2.gz BNYCGKVKXPGYGW-CCLHPLFOSA-N 1 1 491.661 3.789 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2c1C ZINC001164896616 721487185 /nfs/dbraw/zinc/48/71/85/721487185.db2.gz PSTUSVONKILERA-LJQANCHMSA-N 1 1 462.627 3.634 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164898820 721495667 /nfs/dbraw/zinc/49/56/67/721495667.db2.gz IIKVKILHDNDDFH-KAOXLYBCSA-N 1 1 478.670 3.851 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164900564 721510042 /nfs/dbraw/zinc/51/00/42/721510042.db2.gz SKZVQFSVQMAJOM-ICSRJNTNSA-N 1 1 475.524 3.540 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164899731 721518785 /nfs/dbraw/zinc/51/87/85/721518785.db2.gz LYTWYZPWFVVGNU-FUHWJXTLSA-N 1 1 467.923 3.756 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903015 721527428 /nfs/dbraw/zinc/52/74/28/721527428.db2.gz BURZBVURTIQYML-MJGOQNOKSA-N 1 1 468.554 3.863 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911057 721552891 /nfs/dbraw/zinc/55/28/91/721552891.db2.gz YGZGUWDWJSPVDF-HOCLYGCPSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@@H]2CCCO[C@H]12 ZINC001164806046 721574510 /nfs/dbraw/zinc/57/45/10/721574510.db2.gz PFHLMHDCEOQNDL-KNKQGSTJSA-N 1 1 479.585 3.568 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164799721 721574656 /nfs/dbraw/zinc/57/46/56/721574656.db2.gz DHOAGGKDGLYFJZ-FKBYEOEOSA-N 1 1 481.984 3.723 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164799721 721574660 /nfs/dbraw/zinc/57/46/60/721574660.db2.gz DHOAGGKDGLYFJZ-FKBYEOEOSA-N 1 1 481.984 3.723 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164809508 721580967 /nfs/dbraw/zinc/58/09/67/721580967.db2.gz SSPURPPQBRISOT-ZRBLBEILSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164809508 721580969 /nfs/dbraw/zinc/58/09/69/721580969.db2.gz SSPURPPQBRISOT-ZRBLBEILSA-N 1 1 470.017 3.624 20 0 JHADMO COC(=O)c1ccc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164906104 721587189 /nfs/dbraw/zinc/58/71/89/721587189.db2.gz LFKDVUDVBOWLGD-HSZRJFAPSA-N 1 1 453.493 3.549 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CCOC[C@H]4COc4cccnc4)CC3)c2)CC1 ZINC001164797271 721604236 /nfs/dbraw/zinc/60/42/36/721604236.db2.gz AZFRWLDZRKRNCF-NRFANRHFSA-N 1 1 452.599 3.652 20 0 JHADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909746 721725702 /nfs/dbraw/zinc/72/57/02/721725702.db2.gz DIJAFINYEQUKMF-XXBNENTESA-N 1 1 493.624 3.681 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909786 721742490 /nfs/dbraw/zinc/74/24/90/721742490.db2.gz DQKANUPTVDBVBQ-GGXMVOPNSA-N 1 1 483.616 3.977 20 0 JHADMO COc1ccccc1-c1cc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)nn1 ZINC001165013314 721750824 /nfs/dbraw/zinc/75/08/24/721750824.db2.gz XRSHYGXVUKYBJK-UHFFFAOYSA-N 1 1 493.986 3.874 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@H]3C2)n1 ZINC001165020920 721791821 /nfs/dbraw/zinc/79/18/21/721791821.db2.gz MLLQJWPEFNORIH-MJGOQNOKSA-N 1 1 450.612 3.644 20 0 JHADMO c1ccc(C[N@H+]2CCc3nc(N4C[C@H]5COC[C@@]5(COCc5ccccn5)C4)ccc3C2)cc1 ZINC001164922720 721838473 /nfs/dbraw/zinc/83/84/73/721838473.db2.gz IBZGSLYXJJGFEL-RBJSKKJNSA-N 1 1 456.590 3.705 20 0 JHADMO O=C(C[C@@H]1OC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21)NC1CCC1 ZINC001164933716 721895580 /nfs/dbraw/zinc/89/55/80/721895580.db2.gz NEOQFDLYEJDMLX-CWDLOFLHSA-N 1 1 460.622 3.540 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)CC3)C2)cc1 ZINC001164939275 721921051 /nfs/dbraw/zinc/92/10/51/721921051.db2.gz UDUZTHJCHYHBAO-UHFFFAOYSA-N 1 1 464.944 3.559 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940695 721931108 /nfs/dbraw/zinc/93/11/08/721931108.db2.gz XGRUMMAFPXVBRJ-QFIPXVFZSA-N 1 1 486.682 3.728 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c(Cl)ncnc54)CC3)C2)cc1 ZINC001164939013 721932517 /nfs/dbraw/zinc/93/25/17/721932517.db2.gz GWQHUMMFGQBKMP-UHFFFAOYSA-N 1 1 459.381 3.906 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1 ZINC001164949614 721956557 /nfs/dbraw/zinc/95/65/57/721956557.db2.gz VBUBVXROIJBOMC-LEWJYISDSA-N 1 1 484.670 3.844 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)n1 ZINC001164955791 722010159 /nfs/dbraw/zinc/01/01/59/722010159.db2.gz ZHWFVDHXHNWLLE-KOSHJBKYSA-N 1 1 474.675 3.549 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951491 722017170 /nfs/dbraw/zinc/01/71/70/722017170.db2.gz ANYIXWQILKCZKF-UHFFFAOYSA-N 1 1 450.917 3.954 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c2c1C ZINC001164957303 722048248 /nfs/dbraw/zinc/04/82/48/722048248.db2.gz IMFSAUZOCZHNQV-ZWKOTPCHSA-N 1 1 451.596 3.848 20 0 JHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963060 722054869 /nfs/dbraw/zinc/05/48/69/722054869.db2.gz GURFFFNHPFGATN-UHFFFAOYSA-N 1 1 458.990 3.734 20 0 JHADMO Clc1cc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164966329 722061849 /nfs/dbraw/zinc/06/18/49/722061849.db2.gz RAPOXNQBNLKRQZ-UHFFFAOYSA-N 1 1 450.974 3.706 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)n1 ZINC001164969043 722080974 /nfs/dbraw/zinc/08/09/74/722080974.db2.gz HLLBHALUSOVBFC-YPAWHYETSA-N 1 1 495.697 3.862 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164984374 722107333 /nfs/dbraw/zinc/10/73/33/722107333.db2.gz SWKVPPXPLJJGPV-WMZOPIPTSA-N 1 1 465.381 3.687 20 0 JHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164975555 722107634 /nfs/dbraw/zinc/10/76/34/722107634.db2.gz CNEPLOYUZTYMCF-UONOGXRCSA-N 1 1 480.787 3.502 20 0 JHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983075 722128056 /nfs/dbraw/zinc/12/80/56/722128056.db2.gz XYPDXPWYAKDTHV-XLIONFOSSA-N 1 1 459.928 3.950 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164979040 722128389 /nfs/dbraw/zinc/12/83/89/722128389.db2.gz OUFLCTXXRXEKKE-PXNSSMCTSA-N 1 1 470.936 3.579 20 0 JHADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972756 722135344 /nfs/dbraw/zinc/13/53/44/722135344.db2.gz AKTUEHUDXFEOBE-CVEARBPZSA-N 1 1 458.340 3.537 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980339 722136508 /nfs/dbraw/zinc/13/65/08/722136508.db2.gz MZBPAKGOWKNOLR-DQEYMECFSA-N 1 1 467.573 3.847 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164976017 722139727 /nfs/dbraw/zinc/13/97/27/722139727.db2.gz GIGYJTKXSGVWDN-VQTJNVASSA-N 1 1 481.622 3.607 20 0 JHADMO O=C(NC1CCCC1)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164985481 722144274 /nfs/dbraw/zinc/14/42/74/722144274.db2.gz ZPOZKSBFSBZLDD-WMZHIEFXSA-N 1 1 470.017 3.530 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978858 722145463 /nfs/dbraw/zinc/14/54/63/722145463.db2.gz JZQTXXQPIDDRBM-DYESRHJHSA-N 1 1 489.954 3.959 20 0 JHADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)[C@@H]2C1 ZINC001164997883 722216462 /nfs/dbraw/zinc/21/64/62/722216462.db2.gz SRJYBXWJCXBAHT-CEWLAPEOSA-N 1 1 479.650 3.928 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccsc4)nc4ccccc42)CC3)CC1 ZINC001165002611 722237789 /nfs/dbraw/zinc/23/77/89/722237789.db2.gz WDYSWUMUCIDEBZ-UHFFFAOYSA-N 1 1 457.607 3.505 20 0 JHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001495 722239444 /nfs/dbraw/zinc/23/94/44/722239444.db2.gz HPYQPRDDELQNGQ-UHFFFAOYSA-N 1 1 458.944 3.622 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(-c4ccco4)c2)CC3)CC1 ZINC001165002782 722240169 /nfs/dbraw/zinc/24/01/69/722240169.db2.gz GFWWIVMRVHCTMO-UHFFFAOYSA-N 1 1 474.943 3.687 20 0 JHADMO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001165001367 722248945 /nfs/dbraw/zinc/24/89/45/722248945.db2.gz PBMFSXKDJBKGDJ-MUUNZHRXSA-N 1 1 472.589 3.745 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CC[N@H+]1CCOC ZINC001306621642 1069310241 /nfs/dbraw/zinc/31/02/41/1069310241.db2.gz DDBYXCHBMTXJBG-AEFFLSMTSA-N 1 1 498.441 3.819 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CC[N@H+]1CCOC ZINC001306621507 1069310310 /nfs/dbraw/zinc/31/03/10/1069310310.db2.gz XYKBLVGTRJLIEH-ICSRJNTNSA-N 1 1 461.676 3.715 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001306621799 1069311696 /nfs/dbraw/zinc/31/16/96/1069311696.db2.gz QUGQGXXROZAPFO-MRXNPFEDSA-N 1 1 494.537 3.825 20 0 JHADMO CCC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)C)CC[N@H+]1CCOC ZINC001306625839 1069319818 /nfs/dbraw/zinc/31/98/18/1069319818.db2.gz UKDCJBWJFBMBSG-QFIPXVFZSA-N 1 1 492.709 3.986 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001306626140 1069320492 /nfs/dbraw/zinc/32/04/92/1069320492.db2.gz CVIKFBHNMUWAOX-LEWJYISDSA-N 1 1 490.693 3.567 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2cnc(C)s2)CC[N@H+]1CCOC ZINC001306626373 1069321327 /nfs/dbraw/zinc/32/13/27/1069321327.db2.gz GJSOWFVINRMALL-QFIPXVFZSA-N 1 1 468.671 3.928 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001306626455 1069322143 /nfs/dbraw/zinc/32/21/43/1069322143.db2.gz YMTVSQZNIMLGKO-YUXAGFNASA-N 1 1 474.650 3.518 20 0 JHADMO CCC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001306629023 1069327574 /nfs/dbraw/zinc/32/75/74/1069327574.db2.gz HPWMDQLJJSYYIQ-RPWUZVMVSA-N 1 1 471.646 3.528 20 0 JHADMO CCC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001306633301 1069336412 /nfs/dbraw/zinc/33/64/12/1069336412.db2.gz SGPWGAPBMDPEDN-FGZHOGPDSA-N 1 1 471.646 3.991 20 0 JHADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)C1 ZINC001311357728 1069341257 /nfs/dbraw/zinc/34/12/57/1069341257.db2.gz HHZNBBRIOZWRGA-GLDPYIMESA-N 1 1 452.574 3.686 20 0 JHADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCc4c(cccc4OC)C3)cc2)CC1 ZINC001311358203 1069342047 /nfs/dbraw/zinc/34/20/47/1069342047.db2.gz QHWZJKWUPDVANG-DEOSSOPVSA-N 1 1 450.627 3.580 20 0 JHADMO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001311377511 1069350862 /nfs/dbraw/zinc/35/08/62/1069350862.db2.gz BMXHDMFQTVCXMA-LJQANCHMSA-N 1 1 459.432 3.892 20 0 JHADMO CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001306639132 1069348994 /nfs/dbraw/zinc/34/89/94/1069348994.db2.gz OVNCCGCYYMZISJ-FQEVSTJZSA-N 1 1 454.619 3.596 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[C@@H]2OC)CC[N@H+]1CCOC ZINC001306639862 1069350647 /nfs/dbraw/zinc/35/06/47/1069350647.db2.gz CZNJWTLDSFSJOL-MZKRTTBSSA-N 1 1 459.610 3.836 20 0 JHADMO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001306641754 1069352584 /nfs/dbraw/zinc/35/25/84/1069352584.db2.gz OYABSAXYFRSISC-LJQANCHMSA-N 1 1 457.619 3.842 20 0 JHADMO Cc1cccc(N2CCN(CCCNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)c1 ZINC001311379586 1069353116 /nfs/dbraw/zinc/35/31/16/1069353116.db2.gz BEABHMCVTBNDHY-HSZRJFAPSA-N 1 1 451.659 3.936 20 0 JHADMO CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306646188 1069357245 /nfs/dbraw/zinc/35/72/45/1069357245.db2.gz PKMGAGKKJZLOFZ-OAQYLSRUSA-N 1 1 458.626 3.506 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001306646691 1069358031 /nfs/dbraw/zinc/35/80/31/1069358031.db2.gz MUEUZRDONPJOPI-GOSISDBHSA-N 1 1 460.420 3.975 20 0 JHADMO C[C@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001311396585 1069361008 /nfs/dbraw/zinc/36/10/08/1069361008.db2.gz AYIZGAQVZREWJB-ZWKOTPCHSA-N 1 1 457.537 3.785 20 0 JHADMO C[N@@H+](CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CCCCC1 ZINC001311402319 1069362029 /nfs/dbraw/zinc/36/20/29/1069362029.db2.gz WDWGKVVYLGXAJB-FQEVSTJZSA-N 1 1 452.546 3.737 20 0 JHADMO C[C@@H](CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001311396583 1069361070 /nfs/dbraw/zinc/36/10/70/1069361070.db2.gz AYIZGAQVZREWJB-ROUUACIJSA-N 1 1 457.537 3.785 20 0 JHADMO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306655103 1069367023 /nfs/dbraw/zinc/36/70/23/1069367023.db2.gz GDUYIGABCQMXSI-OFNKIYASSA-N 1 1 486.636 3.565 20 0 JHADMO Cc1cc2c(CCNC(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c[nH]c2cc1F ZINC001311422273 1069368952 /nfs/dbraw/zinc/36/89/52/1069368952.db2.gz CQPJBGVENIEKMU-UHFFFAOYSA-N 1 1 451.590 3.665 20 0 JHADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1Cc2ccc(Br)cc2C1 ZINC001311421910 1069369153 /nfs/dbraw/zinc/36/91/53/1069369153.db2.gz FWIAJNXTTYMYEG-UHFFFAOYSA-N 1 1 457.416 3.682 20 0 JHADMO CO[C@@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cs1 ZINC001311430239 1069376438 /nfs/dbraw/zinc/37/64/38/1069376438.db2.gz JHDXRXOMQUFRDQ-UXHICEINSA-N 1 1 451.681 3.722 20 0 JHADMO 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 1069383465 /nfs/dbraw/zinc/38/34/65/1069383465.db2.gz LCIDPDPEOPFBMB-GXRSIYKFSA-N 1 1 460.594 3.845 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001306663267 1069385478 /nfs/dbraw/zinc/38/54/78/1069385478.db2.gz AMXHRYMOCGDESQ-HXUWFJFHSA-N 1 1 469.678 3.801 20 0 JHADMO C[NH+](C)C[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481624 1069397665 /nfs/dbraw/zinc/39/76/65/1069397665.db2.gz KNBLBCRHUNRFTI-OAQYLSRUSA-N 1 1 450.414 3.955 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC)CC1 ZINC001306677709 1069401896 /nfs/dbraw/zinc/40/18/96/1069401896.db2.gz BEZVERKTADJFFU-UHFFFAOYSA-N 1 1 491.478 3.792 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001306678418 1069403122 /nfs/dbraw/zinc/40/31/22/1069403122.db2.gz BHCLHUVSWDRZMG-UHFFFAOYSA-N 1 1 488.080 3.980 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001306679393 1069404933 /nfs/dbraw/zinc/40/49/33/1069404933.db2.gz JFRVCDCEENSGMY-AZUAARDMSA-N 1 1 483.642 3.685 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)NC(C)C)CC1 ZINC001306679689 1069406020 /nfs/dbraw/zinc/40/60/20/1069406020.db2.gz RXZBBLWIXSWUPU-UHFFFAOYSA-N 1 1 477.657 3.966 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC1 ZINC001306679856 1069406042 /nfs/dbraw/zinc/40/60/42/1069406042.db2.gz KTMWMMZJFJNRMF-SANMLTNESA-N 1 1 471.646 3.708 20 0 JHADMO CN(C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311496425 1069406361 /nfs/dbraw/zinc/40/63/61/1069406361.db2.gz MYVGHIAOKJREBF-RPBOFIJWSA-N 1 1 450.627 3.822 20 0 JHADMO 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 1069407791 /nfs/dbraw/zinc/40/77/91/1069407791.db2.gz WVJNLSYQSGGRPN-JKSBSHDWSA-N 1 1 457.537 3.531 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306681053 1069409733 /nfs/dbraw/zinc/40/97/33/1069409733.db2.gz HKGYPZHFQTVHFH-UHFFFAOYSA-N 1 1 478.435 3.829 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306684154 1069418619 /nfs/dbraw/zinc/41/86/19/1069418619.db2.gz LBDTVEIPEBGMTG-SFHVURJKSA-N 1 1 468.568 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001306684640 1069419289 /nfs/dbraw/zinc/41/92/89/1069419289.db2.gz QOBMBELQGJMSJO-UHFFFAOYSA-N 1 1 482.032 3.688 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306687997 1069425347 /nfs/dbraw/zinc/42/53/47/1069425347.db2.gz MYCFLJYLGLVJFY-UHFFFAOYSA-N 1 1 479.673 3.708 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001306688873 1069425860 /nfs/dbraw/zinc/42/58/60/1069425860.db2.gz PWPULCWUTIHGHO-UHFFFAOYSA-N 1 1 461.658 3.939 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001306688537 1069425996 /nfs/dbraw/zinc/42/59/96/1069425996.db2.gz PRVYBAYWDRRMRM-VMODYCNZSA-N 1 1 485.673 3.979 20 0 JHADMO O=C(NC1CCN(C(=O)C2CC2)CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001311534152 1069426867 /nfs/dbraw/zinc/42/68/67/1069426867.db2.gz CRGBEJRCDXVASI-UHFFFAOYSA-N 1 1 453.414 3.658 20 0 JHADMO CSc1ccccc1OC[C@H](O)CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001311578524 1069447460 /nfs/dbraw/zinc/44/74/60/1069447460.db2.gz ODVWBDJAKSELIY-FGZHOGPDSA-N 1 1 457.640 3.843 20 0 JHADMO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1Cl ZINC001311581970 1069449490 /nfs/dbraw/zinc/44/94/90/1069449490.db2.gz KGLMOKMQYQKQQB-RXVVDRJESA-N 1 1 451.398 3.801 20 0 JHADMO O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589365 1069453049 /nfs/dbraw/zinc/45/30/49/1069453049.db2.gz ASWFOYJXOKGFEJ-CCDWMCETSA-N 1 1 455.574 3.679 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001306719908 1069454487 /nfs/dbraw/zinc/45/44/87/1069454487.db2.gz DWIOADZPEZNJHS-QFQXNSOFSA-N 1 1 474.694 3.810 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 ZINC001306720860 1069456247 /nfs/dbraw/zinc/45/62/47/1069456247.db2.gz OCICOBVCKQWHFR-JOCHJYFZSA-N 1 1 456.610 3.773 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 ZINC001306721783 1069458531 /nfs/dbraw/zinc/45/85/31/1069458531.db2.gz DNMZSNUACMFRIA-NRFANRHFSA-N 1 1 457.619 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722253 1069459621 /nfs/dbraw/zinc/45/96/21/1069459621.db2.gz JKSJIYVBKBRICX-PZJWPPBQSA-N 1 1 477.650 3.781 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001306722746 1069461634 /nfs/dbraw/zinc/46/16/34/1069461634.db2.gz KRMGGKWKNKHZAX-SFTDATJTSA-N 1 1 476.666 3.540 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001306723326 1069462916 /nfs/dbraw/zinc/46/29/16/1069462916.db2.gz RNININFGFJPLTL-RPBOFIJWSA-N 1 1 482.673 3.503 20 0 JHADMO CC[C@H](NC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611129 1069463033 /nfs/dbraw/zinc/46/30/33/1069463033.db2.gz ISKXJXIAYSMABQ-GGAORHGYSA-N 1 1 452.599 3.569 20 0 JHADMO CC[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1OCC(=O)N(C)C ZINC001311614105 1069466272 /nfs/dbraw/zinc/46/62/72/1069466272.db2.gz JNOGLFPNXLLDLV-FUDKSRODSA-N 1 1 458.647 3.901 20 0 JHADMO Cc1ccccc1[C@H](NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(C)C ZINC001311613854 1069465653 /nfs/dbraw/zinc/46/56/53/1069465653.db2.gz HDQBTQMVGIOSJI-RUZDIDTESA-N 1 1 452.599 3.852 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001306726359 1069469527 /nfs/dbraw/zinc/46/95/27/1069469527.db2.gz CRQWVYPBJHZSJA-DHLKQENFSA-N 1 1 496.700 3.803 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306726602 1069470623 /nfs/dbraw/zinc/47/06/23/1069470623.db2.gz ABFKHZPHPCNKDV-VWNXMTODSA-N 1 1 466.674 3.775 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1 ZINC001306727549 1069472171 /nfs/dbraw/zinc/47/21/71/1069472171.db2.gz DSAOXCSJFUXTGM-UFYCRDLUSA-N 1 1 455.594 3.892 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306727589 1069472772 /nfs/dbraw/zinc/47/27/72/1069472772.db2.gz FFWLESRVZVQPFJ-BDTNDASRSA-N 1 1 490.693 3.930 20 0 JHADMO CCC[C@@H]1CN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001311625845 1069475504 /nfs/dbraw/zinc/47/55/04/1069475504.db2.gz UDYYPLHUKWSMPK-AREMUKBSSA-N 1 1 450.627 3.715 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cn1 ZINC001311632869 1069479924 /nfs/dbraw/zinc/47/99/24/1069479924.db2.gz WQPDRKRJFPSEQL-FQEVSTJZSA-N 1 1 456.591 3.849 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 ZINC001306729134 1069477076 /nfs/dbraw/zinc/47/70/76/1069477076.db2.gz WSPZPONCLORUNP-XMMPIXPASA-N 1 1 482.673 3.591 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001306729267 1069477587 /nfs/dbraw/zinc/47/75/87/1069477587.db2.gz LRZNSRHSBZUTDU-GBXCKJPGSA-N 1 1 454.663 3.996 20 0 JHADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC001311629312 1069477737 /nfs/dbraw/zinc/47/77/37/1069477737.db2.gz BENUKFKQXPSBAV-HYBUGGRVSA-N 1 1 456.656 3.648 20 0 JHADMO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636773 1069482931 /nfs/dbraw/zinc/48/29/31/1069482931.db2.gz LYAPNIKPJUGDBS-RCXJIHSJSA-N 1 1 450.627 3.578 20 0 JHADMO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638363 1069483903 /nfs/dbraw/zinc/48/39/03/1069483903.db2.gz YIALLRDLQQUVJI-GPXNEJASSA-N 1 1 456.656 3.812 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001306731054 1069484490 /nfs/dbraw/zinc/48/44/90/1069484490.db2.gz OJVMHWNEASWXOD-WIYBCGNWSA-N 1 1 465.708 3.987 20 0 JHADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC001311664022 1069493309 /nfs/dbraw/zinc/49/33/09/1069493309.db2.gz HIXFCRGXWSFAOZ-RDPSFJRHSA-N 1 1 456.631 3.990 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001306734749 1069497528 /nfs/dbraw/zinc/49/75/28/1069497528.db2.gz PVQXPEUSJDDULS-ACRUOGEOSA-N 1 1 455.651 3.669 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306739279 1069511397 /nfs/dbraw/zinc/51/13/97/1069511397.db2.gz BRRKQMCBLJGTOX-RTWAWAEBSA-N 1 1 468.646 3.571 20 0 JHADMO COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311710919 1069513644 /nfs/dbraw/zinc/51/36/44/1069513644.db2.gz QDIPLIUYPYTGLH-NRFANRHFSA-N 1 1 458.990 3.684 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001306749782 1069543187 /nfs/dbraw/zinc/54/31/87/1069543187.db2.gz YGIWCJQHORNYTC-HBMCJLEFSA-N 1 1 471.646 3.946 20 0 JHADMO CCCCOc1ccc(Cn2c(C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1OC ZINC001306752579 1069548437 /nfs/dbraw/zinc/54/84/37/1069548437.db2.gz AXWWLXQMJHJMNH-UHFFFAOYSA-N 1 1 484.689 3.817 20 0 JHADMO 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/nfs/dbraw/zinc/18/14/96/1070181496.db2.gz QHWKQVSHFRCPMR-GGAORHGYSA-N 1 1 484.645 3.788 20 0 JHADMO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001307787037 1070181897 /nfs/dbraw/zinc/18/18/97/1070181897.db2.gz QBLIQSPUYXUCAU-INIZCTEOSA-N 1 1 450.320 3.803 20 0 JHADMO 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 1070182118 /nfs/dbraw/zinc/18/21/18/1070182118.db2.gz VIDPLVPABIDLMO-KSEOMHKRSA-N 1 1 490.693 3.817 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314359703 1070182195 /nfs/dbraw/zinc/18/21/95/1070182195.db2.gz DOLJIWDZLWELHF-GOSISDBHSA-N 1 1 490.052 3.593 20 0 JHADMO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001307800077 1070187942 /nfs/dbraw/zinc/18/79/42/1070187942.db2.gz QDEITQYEGUCHFQ-KKSFZXQISA-N 1 1 452.414 3.906 20 0 JHADMO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001307800077 1070187948 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1070229415 /nfs/dbraw/zinc/22/94/15/1070229415.db2.gz WNJBXQXSZSYWMA-SZPZYZBQSA-N 1 1 488.721 3.800 20 0 JHADMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001313036148 1070229803 /nfs/dbraw/zinc/22/98/03/1070229803.db2.gz FAHFYAFOYHIYQQ-QGZVFWFLSA-N 1 1 453.414 3.868 20 0 JHADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001307909524 1070235345 /nfs/dbraw/zinc/23/53/45/1070235345.db2.gz GQOJRKZQSRETJO-LJQANCHMSA-N 1 1 459.974 3.876 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1Cc1nc(C)cs1 ZINC001314387730 1070236458 /nfs/dbraw/zinc/23/64/58/1070236458.db2.gz BRXXWZAZLBETFR-SFHVURJKSA-N 1 1 456.616 3.520 20 0 JHADMO CC(C)N1CC[NH+](C2CCN(C(=O)NCc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001313083881 1070245065 /nfs/dbraw/zinc/24/50/65/1070245065.db2.gz FHIXJWPJYBMBQD-UHFFFAOYSA-N 1 1 450.627 3.966 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001314394221 1070252114 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Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cnn1C ZINC001308620484 1070403486 /nfs/dbraw/zinc/40/34/86/1070403486.db2.gz WBJRXMMQNYNPBB-WIYYLYMNSA-N 1 1 456.587 3.978 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001313460652 1070412154 /nfs/dbraw/zinc/41/21/54/1070412154.db2.gz SZXUKYUAAZGPGV-PMACEKPBSA-N 1 1 490.599 3.773 20 0 JHADMO 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 1070410616 /nfs/dbraw/zinc/41/06/16/1070410616.db2.gz WHQDYEXEYKHJSH-YMPZKCBVSA-N 1 1 486.636 3.611 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)nc2)C[C@@H]1CC ZINC001314494774 1070410835 /nfs/dbraw/zinc/41/08/35/1070410835.db2.gz AUXKPTWEJMEPKO-NRFANRHFSA-N 1 1 481.620 3.531 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)C[C@H]1CC ZINC001314494877 1070412000 /nfs/dbraw/zinc/41/20/00/1070412000.db2.gz CSMLGJXPPQJSEW-HXUWFJFHSA-N 1 1 472.037 3.512 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001314495441 1070413633 /nfs/dbraw/zinc/41/36/33/1070413633.db2.gz ZCHOYSXVICDBRI-KNQAVFIVSA-N 1 1 478.037 3.799 20 0 JHADMO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)[C@@]12CCCO2 ZINC001308673661 1070415049 /nfs/dbraw/zinc/41/50/49/1070415049.db2.gz AQHQDXDADXKOCW-UEXGIBASSA-N 1 1 454.354 3.782 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)cc2C)C[C@H]1CC ZINC001314497177 1070420504 /nfs/dbraw/zinc/42/05/04/1070420504.db2.gz ZIUQNXRAPQXIPW-HSZRJFAPSA-N 1 1 450.631 3.886 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCS2)C[C@H]1CC ZINC001314497780 1070421318 /nfs/dbraw/zinc/42/13/18/1070421318.db2.gz UZUYJORYMAAVOK-MSOLQXFVSA-N 1 1 497.507 3.868 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001314497852 1070422148 /nfs/dbraw/zinc/42/21/48/1070422148.db2.gz FABQVLHRAVZNRP-DFHRPNOPSA-N 1 1 499.700 3.864 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(F)(F)CC2)C[C@@H]1CC ZINC001314497981 1070422295 /nfs/dbraw/zinc/42/22/95/1070422295.db2.gz INVOPKCNUFFXAM-QFIPXVFZSA-N 1 1 493.647 3.902 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(C)(C)C2)C[C@H]1CC ZINC001314498480 1070423695 /nfs/dbraw/zinc/42/36/95/1070423695.db2.gz ORXAICAKBRPQPJ-JOCHJYFZSA-N 1 1 457.667 3.513 20 0 JHADMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308715417 1070424520 /nfs/dbraw/zinc/42/45/20/1070424520.db2.gz VJLNSXHSJFKBJO-QHCPKHFHSA-N 1 1 452.617 3.833 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nc(C)c(C)s2)CC1 ZINC001314498487 1070424746 /nfs/dbraw/zinc/42/47/46/1070424746.db2.gz PGUVJYIPUITUSR-UHFFFAOYSA-N 1 1 484.670 3.754 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCCCCC2)C[C@H]1CC ZINC001314498602 1070424795 /nfs/dbraw/zinc/42/47/95/1070424795.db2.gz IWJHNGSDPOHATA-FGZHOGPDSA-N 1 1 463.667 3.542 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1CC ZINC001314499600 1070428083 /nfs/dbraw/zinc/42/80/83/1070428083.db2.gz POIHVKJZGVSNSF-OAHLLOKOSA-N 1 1 489.974 3.547 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)C[C@@H]1CC ZINC001314499928 1070428907 /nfs/dbraw/zinc/42/89/07/1070428907.db2.gz DVXDFBHBUUXSJR-RBUKOAKNSA-N 1 1 455.738 3.652 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC=C(C)C)CC1 ZINC001314500737 1070432364 /nfs/dbraw/zinc/43/23/64/1070432364.db2.gz XGLHAABBPAUYPY-UHFFFAOYSA-N 1 1 493.656 3.751 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001314501656 1070434661 /nfs/dbraw/zinc/43/46/61/1070434661.db2.gz RDQITPJYTJRZQY-VQTJNVASSA-N 1 1 455.594 3.546 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313465934 1070435865 /nfs/dbraw/zinc/43/58/65/1070435865.db2.gz QKNPGUKPLNROAH-BHIFYINESA-N 1 1 460.711 3.977 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H]1CC ZINC001314501908 1070435948 /nfs/dbraw/zinc/43/59/48/1070435948.db2.gz SUCMBBSBSQPOBD-PWRODBHTSA-N 1 1 469.621 3.935 20 0 JHADMO CN(CC[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC001308786674 1070438182 /nfs/dbraw/zinc/43/81/82/1070438182.db2.gz ZTTVSHXXPMPBHW-UHFFFAOYSA-N 1 1 457.571 3.620 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1CC ZINC001314501928 1070436041 /nfs/dbraw/zinc/43/60/41/1070436041.db2.gz TYVPFKFNBOOAQR-IRXDYDNUSA-N 1 1 499.553 3.714 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313466129 1070437171 /nfs/dbraw/zinc/43/71/71/1070437171.db2.gz KFOKZGKCRMPFSJ-BHIFYINESA-N 1 1 483.705 3.783 20 0 JHADMO 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 1070440048 /nfs/dbraw/zinc/44/00/48/1070440048.db2.gz QQUXPCNWBVVXTP-WRTQPQOASA-N 1 1 494.656 3.516 20 0 JHADMO CCOCCOc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001314503875 1070442069 /nfs/dbraw/zinc/44/20/69/1070442069.db2.gz WOYCRBLAGDRPFB-FYYLOGMGSA-N 1 1 455.647 3.922 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001314505036 1070446714 /nfs/dbraw/zinc/44/67/14/1070446714.db2.gz OXKUYNNGFHWNRD-UHFFFAOYSA-N 1 1 495.093 3.662 20 0 JHADMO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001314506451 1070452142 /nfs/dbraw/zinc/45/21/42/1070452142.db2.gz YAKMXQODQFDRRY-DEOSSOPVSA-N 1 1 499.700 3.985 20 0 JHADMO CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001314506451 1070452149 /nfs/dbraw/zinc/45/21/49/1070452149.db2.gz YAKMXQODQFDRRY-DEOSSOPVSA-N 1 1 499.700 3.985 20 0 JHADMO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453369 /nfs/dbraw/zinc/45/33/69/1070453369.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 1 1 456.578 3.923 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453373 /nfs/dbraw/zinc/45/33/73/1070453373.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 1 1 456.578 3.923 20 0 JHADMO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453530 /nfs/dbraw/zinc/45/35/30/1070453530.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 1 1 456.578 3.923 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453534 /nfs/dbraw/zinc/45/35/34/1070453534.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 1 1 456.578 3.923 20 0 JHADMO Cc1cc([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c(O)cc1Cl ZINC001308877647 1070453545 /nfs/dbraw/zinc/45/35/45/1070453545.db2.gz RBRVVOPJCASPGZ-CYBMUJFWSA-N 1 1 459.793 3.753 20 0 JHADMO Cc1cc([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c(O)cc1Cl ZINC001308877647 1070453547 /nfs/dbraw/zinc/45/35/47/1070453547.db2.gz RBRVVOPJCASPGZ-CYBMUJFWSA-N 1 1 459.793 3.753 20 0 JHADMO 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 1070457562 /nfs/dbraw/zinc/45/75/62/1070457562.db2.gz WLMWEGAZHROKTN-ZWKOTPCHSA-N 1 1 450.624 3.718 20 0 JHADMO 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 1070459117 /nfs/dbraw/zinc/45/91/17/1070459117.db2.gz FCEFXBVPBUYTRG-HXAGEGRHSA-N 1 1 459.631 3.724 20 0 JHADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913761 1070459119 /nfs/dbraw/zinc/45/91/19/1070459119.db2.gz FCEFXBVPBUYTRG-HXAGEGRHSA-N 1 1 459.631 3.724 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913761 1070459120 /nfs/dbraw/zinc/45/91/20/1070459120.db2.gz FCEFXBVPBUYTRG-HXAGEGRHSA-N 1 1 459.631 3.724 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC001308961544 1070466858 /nfs/dbraw/zinc/46/68/58/1070466858.db2.gz WVDBEQCCXZJSQY-MRXNPFEDSA-N 1 1 457.662 3.645 20 0 JHADMO C[C@@H]([NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001308931496 1070461326 /nfs/dbraw/zinc/46/13/26/1070461326.db2.gz KJLWGPCPKBBPIY-LJQANCHMSA-N 1 1 454.656 3.554 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314511103 1070468576 /nfs/dbraw/zinc/46/85/76/1070468576.db2.gz IMCRNGBGVKCFRB-NRFANRHFSA-N 1 1 479.735 3.926 20 0 JHADMO Cn1c(C[N@@H+]2CCC[C@@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)cnc1Cl ZINC001308985846 1070470835 /nfs/dbraw/zinc/47/08/35/1070470835.db2.gz HFTIRFBPSQPJCV-MRXNPFEDSA-N 1 1 457.015 3.864 20 0 JHADMO Cn1c(C[N@H+]2CCC[C@@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)cnc1Cl ZINC001308985846 1070470839 /nfs/dbraw/zinc/47/08/39/1070470839.db2.gz HFTIRFBPSQPJCV-MRXNPFEDSA-N 1 1 457.015 3.864 20 0 JHADMO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C[C@H]1CCCC2 ZINC001308985905 1070471037 /nfs/dbraw/zinc/47/10/37/1070471037.db2.gz AZYMTHQRNGVPKS-IERDGZPVSA-N 1 1 458.024 3.504 20 0 JHADMO 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C[NH+](C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001314670791 1070811036 /nfs/dbraw/zinc/81/10/36/1070811036.db2.gz OUQSDZRGZRAIEN-UHFFFAOYSA-N 1 1 474.694 3.613 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 ZINC001313647105 1070811880 /nfs/dbraw/zinc/81/18/80/1070811880.db2.gz XUGLTOAQBOFVKW-RTWAWAEBSA-N 1 1 496.700 3.889 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 ZINC001313647105 1070811907 /nfs/dbraw/zinc/81/19/07/1070811907.db2.gz XUGLTOAQBOFVKW-RTWAWAEBSA-N 1 1 496.700 3.889 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314676666 1070822323 /nfs/dbraw/zinc/82/23/23/1070822323.db2.gz KLZMCZQTCRVEQL-GOTSBHOMSA-N 1 1 455.647 3.872 20 0 JHADMO CN(c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOCC1(C)C)[C@H]1CCSC1 ZINC001314680160 1070830825 /nfs/dbraw/zinc/83/08/25/1070830825.db2.gz GXAZVISTZCFWQA-SFHVURJKSA-N 1 1 480.476 3.760 20 0 JHADMO 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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 1071376427 /nfs/dbraw/zinc/37/64/27/1071376427.db2.gz OJHBWVOQYRZGHJ-BOSXTWCSSA-N 1 1 467.536 3.900 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC001314928943 1071372185 /nfs/dbraw/zinc/37/21/85/1071372185.db2.gz QQGYYVIBTMHFSB-LEWJYISDSA-N 1 1 468.694 3.882 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313864009 1071384099 /nfs/dbraw/zinc/38/40/99/1071384099.db2.gz LHNDFRXYFVMWAR-CVEARBPZSA-N 1 1 490.425 3.742 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001313864132 1071385169 /nfs/dbraw/zinc/38/51/69/1071385169.db2.gz XINAVSXMOHCNCX-MOPGFXCFSA-N 1 1 461.054 3.628 20 0 JHADMO 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 1071388040 /nfs/dbraw/zinc/38/80/40/1071388040.db2.gz GTMVVDPPIXDNBI-KURKYZTESA-N 1 1 486.617 3.506 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313864765 1071388087 /nfs/dbraw/zinc/38/80/87/1071388087.db2.gz HBUFAPUNJFVQOT-OALUTQOASA-N 1 1 482.032 3.651 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@@H]1C ZINC001313865036 1071390169 /nfs/dbraw/zinc/39/01/69/1071390169.db2.gz NOONWIVBOBINFK-RBUKOAKNSA-N 1 1 452.578 3.901 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@H]1C ZINC001313865246 1071390955 /nfs/dbraw/zinc/39/09/55/1071390955.db2.gz YRDITIBSZQSTJR-IAGOWNOFSA-N 1 1 453.978 3.546 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313867221 1071399284 /nfs/dbraw/zinc/39/92/84/1071399284.db2.gz IMHHTSAQUUOSCA-FCHUYYIVSA-N 1 1 482.673 3.851 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001313867570 1071400825 /nfs/dbraw/zinc/40/08/25/1071400825.db2.gz KFKUUJVBNUBWSZ-CUVVAGTFSA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313868116 1071402678 /nfs/dbraw/zinc/40/26/78/1071402678.db2.gz AQEVXPYMDIFWQE-UXHICEINSA-N 1 1 451.594 3.824 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001314945437 1071402796 /nfs/dbraw/zinc/40/27/96/1071402796.db2.gz JCRVJIFBAOCGJM-FQEVSTJZSA-N 1 1 480.682 3.780 20 0 JHADMO 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 1071402895 /nfs/dbraw/zinc/40/28/95/1071402895.db2.gz IWUJZNHKZGLCHB-YTFSRNRJSA-N 1 1 496.700 3.680 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@@H]1C ZINC001313868550 1071405363 /nfs/dbraw/zinc/40/53/63/1071405363.db2.gz BSPSDWCPMUIJSP-IRXDYDNUSA-N 1 1 482.492 3.742 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313870045 1071411359 /nfs/dbraw/zinc/41/13/59/1071411359.db2.gz FBVAEWMMMXHWHH-UXHICEINSA-N 1 1 478.645 3.781 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870177 1071412267 /nfs/dbraw/zinc/41/22/67/1071412267.db2.gz SUIKDACCVYVCEL-PMACEKPBSA-N 1 1 466.655 3.588 20 0 JHADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)C[C@H]1C ZINC001313870440 1071413206 /nfs/dbraw/zinc/41/32/06/1071413206.db2.gz RRYGOFPZWYZJBQ-WOJBJXKFSA-N 1 1 461.054 3.630 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)C[C@H]1C ZINC001313870440 1071413212 /nfs/dbraw/zinc/41/32/12/1071413212.db2.gz RRYGOFPZWYZJBQ-WOJBJXKFSA-N 1 1 461.054 3.630 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870603 1071414258 /nfs/dbraw/zinc/41/42/58/1071414258.db2.gz FBSNDDFCZIBDIC-PMACEKPBSA-N 1 1 466.596 3.980 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313871647 1071415846 /nfs/dbraw/zinc/41/58/46/1071415846.db2.gz GWBPVSXORZTZKQ-OALUTQOASA-N 1 1 464.618 3.770 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001313871478 1071416639 /nfs/dbraw/zinc/41/66/39/1071416639.db2.gz UAKFLDMPYCBQSW-ZWKOTPCHSA-N 1 1 482.032 3.663 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313872199 1071420080 /nfs/dbraw/zinc/42/00/80/1071420080.db2.gz JIUAHHKANWQCQA-HUUCEWRRSA-N 1 1 465.549 3.977 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313872442 1071420776 /nfs/dbraw/zinc/42/07/76/1071420776.db2.gz XJEQZLFELYJPFO-KGLIPLIRSA-N 1 1 462.023 3.734 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313872435 1071420934 /nfs/dbraw/zinc/42/09/34/1071420934.db2.gz XHFGRAYTEGYACE-JKSUJKDBSA-N 1 1 490.425 3.742 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001313872651 1071421899 /nfs/dbraw/zinc/42/18/99/1071421899.db2.gz JZIFPVFPJLPIAI-GJYPPUQNSA-N 1 1 489.462 3.541 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCC[C@@H]1C ZINC001314953670 1071425984 /nfs/dbraw/zinc/42/59/84/1071425984.db2.gz XVXZKOIFWJKKKD-GJZGRUSLSA-N 1 1 497.869 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001313873919 1071426484 /nfs/dbraw/zinc/42/64/84/1071426484.db2.gz FFWFEHWYMOHEKZ-XPGVTRPJSA-N 1 1 498.455 3.623 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001314958532 1071431445 /nfs/dbraw/zinc/43/14/45/1071431445.db2.gz AQUCUFNNGMWSAI-SFTDATJTSA-N 1 1 493.656 3.566 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001313876865 1071439324 /nfs/dbraw/zinc/43/93/24/1071439324.db2.gz SNYWXXIKQQRFHA-AABGKKOBSA-N 1 1 452.578 3.789 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)C[C@@H]1C ZINC001313875991 1071436677 /nfs/dbraw/zinc/43/66/77/1071436677.db2.gz NOMLBARJDBEXKG-JKSUJKDBSA-N 1 1 474.581 3.515 20 0 JHADMO 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 ZINC001313877933 1071443978 /nfs/dbraw/zinc/44/39/78/1071443978.db2.gz XWBVWOKYCJNIAO-XWSHUIEDSA-N 1 1 483.661 3.905 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001314964975 1071444464 /nfs/dbraw/zinc/44/44/64/1071444464.db2.gz GRIMVBZXEPCZML-RUZDIDTESA-N 1 1 490.599 3.773 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001313878834 1071446038 /nfs/dbraw/zinc/44/60/38/1071446038.db2.gz ZAFVVLMYBMGSGO-RBUKOAKNSA-N 1 1 450.587 3.519 20 0 JHADMO 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 ZINC001313879077 1071447643 /nfs/dbraw/zinc/44/76/43/1071447643.db2.gz YPNTVSZTABFEAK-FSSWDIPSSA-N 1 1 497.688 3.830 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001314967295 1071452699 /nfs/dbraw/zinc/45/26/99/1071452699.db2.gz YIUWYJUBBAUGHP-QYBDOPJKSA-N 1 1 452.647 3.688 20 0 JHADMO 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 ZINC001313880761 1071453175 /nfs/dbraw/zinc/45/31/75/1071453175.db2.gz AOGZMAZVWFMOOK-NPDDRXJXSA-N 1 1 490.693 3.594 20 0 JHADMO 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 ZINC001313881308 1071454257 /nfs/dbraw/zinc/45/42/57/1071454257.db2.gz CANWPBRNWPYFQO-LTFXXXRZSA-N 1 1 455.594 3.540 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)C[C@H]1C ZINC001313881260 1071454385 /nfs/dbraw/zinc/45/43/85/1071454385.db2.gz BMCVFIOCDZWUFY-URLVKDPJSA-N 1 1 459.610 3.693 20 0 JHADMO 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 ZINC001313881307 1071454422 /nfs/dbraw/zinc/45/44/22/1071454422.db2.gz CANWPBRNWPYFQO-ICBNADEASA-N 1 1 455.594 3.540 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314970793 1071457629 /nfs/dbraw/zinc/45/76/29/1071457629.db2.gz LDZQAMNAEHCWGQ-RBTNQOKQSA-N 1 1 496.700 3.545 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314970466 1071456514 /nfs/dbraw/zinc/45/65/14/1071456514.db2.gz OBEOBZYVRHSMQQ-ISCCLHIJSA-N 1 1 466.674 3.508 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001313884410 1071463349 /nfs/dbraw/zinc/46/33/49/1071463349.db2.gz PBVQLCNETUAECS-LJQANCHMSA-N 1 1 459.038 3.830 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313882876 1071459925 /nfs/dbraw/zinc/45/99/25/1071459925.db2.gz ARHRMUJRGBNMLR-CTNGQTDRSA-N 1 1 486.636 3.594 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCc2nc(C)cs2)C[C@H]1C ZINC001313883140 1071460465 /nfs/dbraw/zinc/46/04/65/1071460465.db2.gz INFPKIPZARXFTE-JBPLPALLSA-N 1 1 476.691 3.709 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001314976102 1071466945 /nfs/dbraw/zinc/46/69/45/1071466945.db2.gz HVRRNWSUBUINSF-OAQYLSRUSA-N 1 1 464.614 3.963 20 0 JHADMO 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 ZINC001313886327 1071469671 /nfs/dbraw/zinc/46/96/71/1071469671.db2.gz RTDUIFIUOWKZRX-WTGUMLROSA-N 1 1 478.682 3.519 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001313886856 1071471600 /nfs/dbraw/zinc/47/16/00/1071471600.db2.gz BSAJVHMQSFPEAY-MRXNPFEDSA-N 1 1 498.981 3.835 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001313887001 1071472372 /nfs/dbraw/zinc/47/23/72/1071472372.db2.gz SAQSARJGORNXME-UZUQRXQVSA-N 1 1 481.563 3.825 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313888508 1071475187 /nfs/dbraw/zinc/47/51/87/1071475187.db2.gz WFSSGRBEYUFGLL-ZJOUEHCJSA-N 1 1 470.687 3.712 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001314978895 1071476428 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/nfs/dbraw/zinc/50/66/75/1071506675.db2.gz DQOPLVZZVGIGGR-NHCUHLMSSA-N 1 1 490.693 3.738 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313901314 1071511127 /nfs/dbraw/zinc/51/11/27/1071511127.db2.gz GGQPOLCMENNKIH-ZDUSSCGKSA-N 1 1 463.430 3.541 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313901954 1071512539 /nfs/dbraw/zinc/51/25/39/1071512539.db2.gz CHOVUCCWNVABPK-XMMPIXPASA-N 1 1 466.674 3.679 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313902964 1071513976 /nfs/dbraw/zinc/51/39/76/1071513976.db2.gz AZPNNYLENJISDO-BJKOFHAPSA-N 1 1 498.672 3.653 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313903237 1071514803 /nfs/dbraw/zinc/51/48/03/1071514803.db2.gz CUARGFLDCUKTIP-KRWDZBQOSA-N 1 1 450.990 3.720 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001313902616 1071514205 /nfs/dbraw/zinc/51/42/05/1071514205.db2.gz HJLLJYXHPFEXSG-HSZRJFAPSA-N 1 1 455.647 3.947 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1 ZINC001313903640 1071515652 /nfs/dbraw/zinc/51/56/52/1071515652.db2.gz FDSBUKXEHCIEPG-KSZLIROESA-N 1 1 475.663 3.626 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313904445 1071518451 /nfs/dbraw/zinc/51/84/51/1071518451.db2.gz HVPGOWWAJXPJKZ-FQEVSTJZSA-N 1 1 486.686 3.755 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001315001117 1071523863 /nfs/dbraw/zinc/52/38/63/1071523863.db2.gz CNIWFACHLJIYAG-QHCPKHFHSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313905195 1071520692 /nfs/dbraw/zinc/52/06/92/1071520692.db2.gz NRZHCDWRIHSROM-NVXWUHKLSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313905196 1071520710 /nfs/dbraw/zinc/52/07/10/1071520710.db2.gz NRZHCDWRIHSROM-RDJZCZTQSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313905278 1071521310 /nfs/dbraw/zinc/52/13/10/1071521310.db2.gz OUBDDINZFNYANU-RTBURBONSA-N 1 1 495.466 3.542 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001313909215 1071531171 /nfs/dbraw/zinc/53/11/71/1071531171.db2.gz PUUKKLXTUFLOTN-NBGIEHNGSA-N 1 1 457.619 3.842 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313909050 1071531778 /nfs/dbraw/zinc/53/17/78/1071531778.db2.gz MGBATELWVQUWKP-FGZHOGPDSA-N 1 1 483.661 3.632 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909206 1071531882 /nfs/dbraw/zinc/53/18/82/1071531882.db2.gz CFTCKHXCCZQPAF-SFTDATJTSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001313909278 1071532594 /nfs/dbraw/zinc/53/25/94/1071532594.db2.gz QTEMNVKLSZXNNZ-QHCPKHFHSA-N 1 1 482.673 3.911 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911763 1071537720 /nfs/dbraw/zinc/53/77/20/1071537720.db2.gz LULSFQYTFRYHTH-AZUAARDMSA-N 1 1 499.603 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912194 1071539607 /nfs/dbraw/zinc/53/96/07/1071539607.db2.gz UZQABECCFZJJSZ-WIYYLYMNSA-N 1 1 474.675 3.655 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315024076 1071546526 /nfs/dbraw/zinc/54/65/26/1071546526.db2.gz IAJVBBKICMWPQQ-OYRHEFFESA-N 1 1 484.664 3.729 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1=O ZINC001313914477 1071547450 /nfs/dbraw/zinc/54/74/50/1071547450.db2.gz XYIWXQBBHJSEEI-OAQYLSRUSA-N 1 1 468.646 3.667 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313915484 1071550443 /nfs/dbraw/zinc/55/04/43/1071550443.db2.gz SKNVIDNMBBLOJC-NHCUHLMSSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001313916497 1071553050 /nfs/dbraw/zinc/55/30/50/1071553050.db2.gz YFNORJJHPBNZKD-PKOBYXMFSA-N 1 1 477.078 3.765 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313919524 1071557751 /nfs/dbraw/zinc/55/77/51/1071557751.db2.gz CGCYCJWSBSOPOV-MRXNPFEDSA-N 1 1 483.405 3.579 20 0 JHADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313921493 1071562023 /nfs/dbraw/zinc/56/20/23/1071562023.db2.gz MXAIFPYBNDJRQB-GMAHTHKFSA-N 1 1 482.673 3.653 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921661 1071562549 /nfs/dbraw/zinc/56/25/49/1071562549.db2.gz SGLWPSGZYKIECY-JXFKEZNVSA-N 1 1 467.431 3.522 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315037414 1071570218 /nfs/dbraw/zinc/57/02/18/1071570218.db2.gz VQQPQYZABXPYFR-KRWDZBQOSA-N 1 1 478.588 3.629 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313923022 1071566366 /nfs/dbraw/zinc/56/63/66/1071566366.db2.gz ZNPBSJVQHQXVFD-GOSISDBHSA-N 1 1 470.593 3.657 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001315034703 1071566948 /nfs/dbraw/zinc/56/69/48/1071566948.db2.gz KAHSFSRTRMBAIM-FDDCHVKYSA-N 1 1 482.654 3.671 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313923883 1071568154 /nfs/dbraw/zinc/56/81/54/1071568154.db2.gz ACCDKUHUNRFMDP-FGZHOGPDSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924447 1071571020 /nfs/dbraw/zinc/57/10/20/1071571020.db2.gz GBWGMRWYJCCZAI-ICSRJNTNSA-N 1 1 480.579 3.758 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313925037 1071572131 /nfs/dbraw/zinc/57/21/31/1071572131.db2.gz LIWVEHDABAKMHH-REWPJTCUSA-N 1 1 472.703 3.702 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313925204 1071572774 /nfs/dbraw/zinc/57/27/74/1071572774.db2.gz MUOASVZMIZSAMQ-MOPGFXCFSA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313925374 1071573459 /nfs/dbraw/zinc/57/34/59/1071573459.db2.gz PFBJDODXQAFUPB-SFTDATJTSA-N 1 1 484.689 3.861 20 0 JHADMO CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001315041533 1071573745 /nfs/dbraw/zinc/57/37/45/1071573745.db2.gz XBOTXKQLAMCUOB-QFIPXVFZSA-N 1 1 454.663 3.741 20 0 JHADMO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001315044968 1071576616 /nfs/dbraw/zinc/57/66/16/1071576616.db2.gz LKQZFNCNDJHGMC-RBUKOAKNSA-N 1 1 459.038 3.825 20 0 JHADMO CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001313926760 1071577406 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/nfs/dbraw/zinc/58/19/85/1071581985.db2.gz LZRHWJMGODQCHD-PZJWPPBQSA-N 1 1 486.627 3.585 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313928330 1071583877 /nfs/dbraw/zinc/58/38/77/1071583877.db2.gz AMHIWONTPGZXCD-WOJBJXKFSA-N 1 1 491.080 3.991 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnc2C)C[C@H]1C ZINC001313930262 1071588683 /nfs/dbraw/zinc/58/86/83/1071588683.db2.gz AULWWPXMYHYRIK-MRXNPFEDSA-N 1 1 490.425 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313930953 1071590820 /nfs/dbraw/zinc/59/08/20/1071590820.db2.gz OWCIMGJNWJHRBF-MSOLQXFVSA-N 1 1 486.558 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313932375 1071595048 /nfs/dbraw/zinc/59/50/48/1071595048.db2.gz VHFOCDZAGNDMCH-LEWJYISDSA-N 1 1 486.636 3.880 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2nc(C)cc2C)C[C@@H]1C ZINC001313932495 1071595631 /nfs/dbraw/zinc/59/56/31/1071595631.db2.gz IARWGQNKOJSHNG-IBGZPJMESA-N 1 1 473.572 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2csc(C)n2)C[C@H]1C ZINC001313933703 1071599220 /nfs/dbraw/zinc/59/92/20/1071599220.db2.gz MTKQQUOXQXWTMI-CYBMUJFWSA-N 1 1 464.437 3.574 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001313933897 1071599800 /nfs/dbraw/zinc/59/98/00/1071599800.db2.gz OKKSKXGTNXLQDU-GAJHUEQPSA-N 1 1 466.001 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC(F)F)C[C@@H]1C ZINC001313934306 1071601720 /nfs/dbraw/zinc/60/17/20/1071601720.db2.gz RCRPWFZMJKEEHZ-ZDUSSCGKSA-N 1 1 476.341 3.659 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313934241 1071601820 /nfs/dbraw/zinc/60/18/20/1071601820.db2.gz QSIBLCJBRCSAHD-HZPDHXFCSA-N 1 1 466.399 3.804 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001313934505 1071602932 /nfs/dbraw/zinc/60/29/32/1071602932.db2.gz ASECRUFXBYQIQB-URVUXULASA-N 1 1 471.646 3.944 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609620 /nfs/dbraw/zinc/60/96/20/1071609620.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609625 /nfs/dbraw/zinc/60/96/25/1071609625.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935575 1071606130 /nfs/dbraw/zinc/60/61/30/1071606130.db2.gz IKRKEARMNGVHGC-KRWDZBQOSA-N 1 1 486.617 3.508 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609809 /nfs/dbraw/zinc/60/98/09/1071609809.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609810 /nfs/dbraw/zinc/60/98/10/1071609810.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607310 /nfs/dbraw/zinc/60/73/10/1071607310.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 1 1 454.663 3.996 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607316 /nfs/dbraw/zinc/60/73/16/1071607316.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 1 1 454.663 3.996 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313935872 1071607413 /nfs/dbraw/zinc/60/74/13/1071607413.db2.gz JYQOWSIQFKPVCX-MSYCTHLASA-N 1 1 457.619 3.554 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313936226 1071607895 /nfs/dbraw/zinc/60/78/95/1071607895.db2.gz NQVVZDQQXOHRBT-KRWDZBQOSA-N 1 1 472.435 3.833 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C[C@H]1C ZINC001313936415 1071608487 /nfs/dbraw/zinc/60/84/87/1071608487.db2.gz FQLKUZUSCLXPCY-HXUWFJFHSA-N 1 1 490.693 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313936559 1071608575 /nfs/dbraw/zinc/60/85/75/1071608575.db2.gz GDIPHDQHHVPCSO-OXJNMPFZSA-N 1 1 478.435 3.870 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313936633 1071609079 /nfs/dbraw/zinc/60/90/79/1071609079.db2.gz HDNBRPKPZSPFBL-BHDDXSALSA-N 1 1 491.725 3.653 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313936603 1071609091 /nfs/dbraw/zinc/60/90/91/1071609091.db2.gz GKRBIXMMRFBUOF-UNMCSNQZSA-N 1 1 483.661 3.675 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@H]1C ZINC001313937389 1071610982 /nfs/dbraw/zinc/61/09/82/1071610982.db2.gz MBBWRLTXJKZHRV-GGAORHGYSA-N 1 1 498.672 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313939587 1071613371 /nfs/dbraw/zinc/61/33/71/1071613371.db2.gz DKNDEKITTXUCAQ-MRXNPFEDSA-N 1 1 450.509 3.807 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313940004 1071614117 /nfs/dbraw/zinc/61/41/17/1071614117.db2.gz JJLIQGYMTRJXPU-IBGZPJMESA-N 1 1 486.462 3.643 20 0 JHADMO CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941475 1071617651 /nfs/dbraw/zinc/61/76/51/1071617651.db2.gz UYMNSUXKJISSAI-XZOQPEGZSA-N 1 1 468.690 3.867 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942266 1071618890 /nfs/dbraw/zinc/61/88/90/1071618890.db2.gz HIWLBRLGGXAYCM-UYAOXDASSA-N 1 1 469.552 3.972 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001313943281 1071621920 /nfs/dbraw/zinc/62/19/20/1071621920.db2.gz RFOAOSWCTIPXME-ASPBEGMCSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001313943281 1071621923 /nfs/dbraw/zinc/62/19/23/1071621923.db2.gz RFOAOSWCTIPXME-ASPBEGMCSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001313945114 1071626297 /nfs/dbraw/zinc/62/62/97/1071626297.db2.gz YINGCMYFBROZJU-TZIWHRDSSA-N 1 1 464.614 3.903 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313943633 1071623783 /nfs/dbraw/zinc/62/37/83/1071623783.db2.gz UJTZSUYNCROEDX-TZIWHRDSSA-N 1 1 461.701 3.853 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313943981 1071624528 /nfs/dbraw/zinc/62/45/28/1071624528.db2.gz UGVMIMRXRMHBIX-QGZVFWFLSA-N 1 1 463.508 3.588 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313945053 1071625641 /nfs/dbraw/zinc/62/56/41/1071625641.db2.gz GEXNYVOIBKBRDS-RXVVDRJESA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313945053 1071625645 /nfs/dbraw/zinc/62/56/45/1071625645.db2.gz GEXNYVOIBKBRDS-RXVVDRJESA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOCC(C)C)C[C@@H]1C ZINC001313945301 1071626143 /nfs/dbraw/zinc/62/61/43/1071626143.db2.gz ZXVFMUJRNBATQU-NRFANRHFSA-N 1 1 495.672 3.829 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946403 1071628574 /nfs/dbraw/zinc/62/85/74/1071628574.db2.gz BQDMYGOVPRKJHF-ISKFKSNPSA-N 1 1 468.690 3.895 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313946815 1071629951 /nfs/dbraw/zinc/62/99/51/1071629951.db2.gz CMHCYFURLVQFGJ-MZLICYQSSA-N 1 1 459.610 3.978 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001313947008 1071630542 /nfs/dbraw/zinc/63/05/42/1071630542.db2.gz UPRAOALRLNOBOJ-QGZVFWFLSA-N 1 1 490.425 3.588 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947198 1071630801 /nfs/dbraw/zinc/63/08/01/1071630801.db2.gz GJJQTWFSWNRZGM-VQTJNVASSA-N 1 1 484.670 3.761 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947199 1071631249 /nfs/dbraw/zinc/63/12/49/1071631249.db2.gz GJJQTWFSWNRZGM-WOJBJXKFSA-N 1 1 484.670 3.761 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@H](C)OC)n2)C[C@@H]1C ZINC001313947424 1071631647 /nfs/dbraw/zinc/63/16/47/1071631647.db2.gz HCIFTFBFNFHNOW-ROUUACIJSA-N 1 1 486.642 3.608 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313948163 1071633340 /nfs/dbraw/zinc/63/33/40/1071633340.db2.gz JOXPFDGNLBOMAI-GOSISDBHSA-N 1 1 486.592 3.878 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001313950754 1071639364 /nfs/dbraw/zinc/63/93/64/1071639364.db2.gz QNLRGTORTACJIJ-SFTDATJTSA-N 1 1 475.081 3.735 20 0 JHADMO 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 1071636391 /nfs/dbraw/zinc/63/63/91/1071636391.db2.gz QCFFYULMLZTZDZ-FDCLOXCDSA-N 1 1 473.662 3.845 20 0 JHADMO 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 1071636516 /nfs/dbraw/zinc/63/65/16/1071636516.db2.gz QCFFYULMLZTZDZ-RXMFSQCZSA-N 1 1 473.662 3.845 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001313950372 1071638030 /nfs/dbraw/zinc/63/80/30/1071638030.db2.gz VHILZQYLIQKFRK-NQSCKRDGSA-N 1 1 472.609 3.505 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313950735 1071638749 /nfs/dbraw/zinc/63/87/49/1071638749.db2.gz WQKCEOSCXPUVLM-IBGZPJMESA-N 1 1 468.568 3.580 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950490 1071638863 /nfs/dbraw/zinc/63/88/63/1071638863.db2.gz PXHZIOFSCDUGLV-CTNGQTDRSA-N 1 1 459.708 3.824 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313952316 1071645045 /nfs/dbraw/zinc/64/50/45/1071645045.db2.gz DOWVYCPWPDTMIR-QGZVFWFLSA-N 1 1 475.563 3.601 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1 ZINC001313951045 1071640608 /nfs/dbraw/zinc/64/06/08/1071640608.db2.gz CXKWRXYNDUAVHT-NPPFBWRTSA-N 1 1 471.521 3.869 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951262 1071641115 /nfs/dbraw/zinc/64/11/15/1071641115.db2.gz SIDHQLVQPGYLBL-ZJSXRUAMSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951718 1071643017 /nfs/dbraw/zinc/64/30/17/1071643017.db2.gz VMBGLQDNCNFZJF-OALUTQOASA-N 1 1 461.054 3.944 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313952067 1071644401 /nfs/dbraw/zinc/64/44/01/1071644401.db2.gz XOZVHAONHULWJP-IBGZPJMESA-N 1 1 492.590 3.926 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC([C@@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952147 1071644431 /nfs/dbraw/zinc/64/44/31/1071644431.db2.gz NQNOVJOLTPLPMU-QUCCMNQESA-N 1 1 452.638 3.721 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952597 1071646567 /nfs/dbraw/zinc/64/65/67/1071646567.db2.gz RYMQKOYTXYLPEY-YCRNBWNJSA-N 1 1 476.616 3.879 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001313953052 1071647655 /nfs/dbraw/zinc/64/76/55/1071647655.db2.gz FPYVDDWFANHWED-LJQANCHMSA-N 1 1 479.044 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001313953760 1071648424 /nfs/dbraw/zinc/64/84/24/1071648424.db2.gz KSZZRFUGWYPXCD-MIZPHKNDSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313953646 1071649002 /nfs/dbraw/zinc/64/90/02/1071649002.db2.gz KALOKQUNMRPEGA-PLQXJYEYSA-N 1 1 498.716 3.510 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953766 1071650048 /nfs/dbraw/zinc/65/00/48/1071650048.db2.gz KYLLDBNQZQHOGQ-QGZVFWFLSA-N 1 1 463.552 3.699 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313954115 1071650637 /nfs/dbraw/zinc/65/06/37/1071650637.db2.gz APPWQDLYRAEQAU-FCHUYYIVSA-N 1 1 479.648 3.874 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313954429 1071651689 /nfs/dbraw/zinc/65/16/89/1071651689.db2.gz QPKIRZGJLKDSIY-XMMPIXPASA-N 1 1 472.653 3.611 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313954516 1071651786 /nfs/dbraw/zinc/65/17/86/1071651786.db2.gz PHNQZEWQZCBXDC-UHFFFAOYSA-N 1 1 485.080 3.695 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954699 1071652360 /nfs/dbraw/zinc/65/23/60/1071652360.db2.gz CAORXEDJVSZDSA-AJTFRIOCSA-N 1 1 468.690 3.778 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313954693 1071652515 /nfs/dbraw/zinc/65/25/15/1071652515.db2.gz PCLQTGJNWJEEEB-NRFANRHFSA-N 1 1 467.637 3.723 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313955060 1071654077 /nfs/dbraw/zinc/65/40/77/1071654077.db2.gz DWHRZPDXSSXEMY-OAQYLSRUSA-N 1 1 464.658 3.989 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313955554 1071655423 /nfs/dbraw/zinc/65/54/23/1071655423.db2.gz SPBNBFRFTDJETG-NRFANRHFSA-N 1 1 482.652 3.506 20 0 JHADMO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN1CC[NH+](CC)CC1)C(C)C ZINC001313958015 1071662411 /nfs/dbraw/zinc/66/24/11/1071662411.db2.gz NBHRAPSOVDDASC-UHFFFAOYSA-N 1 1 493.494 3.979 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001313956082 1071657417 /nfs/dbraw/zinc/65/74/17/1071657417.db2.gz KCCISERSGCJKCJ-JOCHJYFZSA-N 1 1 498.764 3.870 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313958090 1071662522 /nfs/dbraw/zinc/66/25/22/1071662522.db2.gz TVWZPJATRNKEHW-UGKGYDQZSA-N 1 1 491.775 3.629 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001313957115 1071659565 /nfs/dbraw/zinc/65/95/65/1071659565.db2.gz OTBGJMHSZJEXQT-ZEQRLZLVSA-N 1 1 452.691 3.963 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313957822 1071661167 /nfs/dbraw/zinc/66/11/67/1071661167.db2.gz JSQZABUJYDSLPI-IBGZPJMESA-N 1 1 491.080 3.638 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957941 1071661842 /nfs/dbraw/zinc/66/18/42/1071661842.db2.gz SNKAWCCNBXMEHO-GUDVDZBRSA-N 1 1 458.617 3.775 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC2(C)C)CC1 ZINC001313958107 1071663128 /nfs/dbraw/zinc/66/31/28/1071663128.db2.gz UCKOSGKRIKVKCZ-JOCHJYFZSA-N 1 1 468.690 3.724 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313958756 1071664615 /nfs/dbraw/zinc/66/46/15/1071664615.db2.gz XXELOMDIZNORMD-AQNXPRMDSA-N 1 1 480.673 3.932 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313958830 1071665291 /nfs/dbraw/zinc/66/52/91/1071665291.db2.gz YGUMXVDQCFRRPF-RCZVLFRGSA-N 1 1 498.716 3.609 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2CCCC2(C)C)CC1 ZINC001313959953 1071668732 /nfs/dbraw/zinc/66/87/32/1071668732.db2.gz CRYMVBPKYAQKHN-UHFFFAOYSA-N 1 1 454.663 3.880 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313959980 1071668748 /nfs/dbraw/zinc/66/87/48/1071668748.db2.gz DBRBRYQVGFODEG-JOCHJYFZSA-N 1 1 472.703 3.522 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Br)c3)nnc2N(C)CCC(F)F)CC1 ZINC001313960313 1071669787 /nfs/dbraw/zinc/66/97/87/1071669787.db2.gz IGSKOPJKLDZVLS-UHFFFAOYSA-N 1 1 485.421 3.827 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313961878 1071673945 /nfs/dbraw/zinc/67/39/45/1071673945.db2.gz XRFVOVSWNJSQTI-UHFFFAOYSA-N 1 1 464.580 3.913 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001313968308 1071692207 /nfs/dbraw/zinc/69/22/07/1071692207.db2.gz UHKPLBYSWLFYOC-QFIPXVFZSA-N 1 1 477.657 3.547 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313972377 1071698171 /nfs/dbraw/zinc/69/81/71/1071698171.db2.gz CHQVJBLYCPLKOW-QFIPXVFZSA-N 1 1 480.701 3.926 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC001314009998 1071746167 /nfs/dbraw/zinc/74/61/67/1071746167.db2.gz YSEKXDUEXTVDJZ-GOSISDBHSA-N 1 1 480.617 3.786 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314012847 1071748715 /nfs/dbraw/zinc/74/87/15/1071748715.db2.gz AQFSOQAXLQMNPN-IBGZPJMESA-N 1 1 472.609 3.873 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001314015032 1071756277 /nfs/dbraw/zinc/75/62/77/1071756277.db2.gz ANMICMBXUFZKIQ-UHFFFAOYSA-N 1 1 474.625 3.795 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001314015061 1071756757 /nfs/dbraw/zinc/75/67/57/1071756757.db2.gz BCZXAIYTMHODEJ-SFHVURJKSA-N 1 1 492.615 3.935 20 0 JHADMO 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 1071763657 /nfs/dbraw/zinc/76/36/57/1071763657.db2.gz WGJWEDONFIQNEV-STZQEDGTSA-N 1 1 490.693 3.737 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314018197 1071764682 /nfs/dbraw/zinc/76/46/82/1071764682.db2.gz ZUCYLBPFHIZDCZ-RZUBCFFCSA-N 1 1 476.666 3.555 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314022711 1071777047 /nfs/dbraw/zinc/77/70/47/1071777047.db2.gz TXZLXOBHJHHGOB-FQEVSTJZSA-N 1 1 456.635 3.666 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001314032063 1071806471 /nfs/dbraw/zinc/80/64/71/1071806471.db2.gz KDXCRKDJGQAYRO-JOCHJYFZSA-N 1 1 477.613 3.577 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314034292 1071817402 /nfs/dbraw/zinc/81/74/02/1071817402.db2.gz GZNUWUCHMVLJET-QPTUXGOLSA-N 1 1 498.672 3.503 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001314038924 1071836269 /nfs/dbraw/zinc/83/62/69/1071836269.db2.gz ZEWOPMGNOPELSA-XUVXKRRUSA-N 1 1 488.608 3.756 20 0 JHADMO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001314042673 1071849557 /nfs/dbraw/zinc/84/95/57/1071849557.db2.gz COPQVOLQKKCZPV-FQEVSTJZSA-N 1 1 499.635 3.818 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314043239 1071851935 /nfs/dbraw/zinc/85/19/35/1071851935.db2.gz CJUUZPNYVZDADF-FYYLOGMGSA-N 1 1 483.661 3.633 20 0 JHADMO CCOC(C)(C)Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001314056136 1071883883 /nfs/dbraw/zinc/88/38/83/1071883883.db2.gz WWXGBEIJYLMIHQ-XMMPIXPASA-N 1 1 477.675 3.518 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001314060699 1071896437 /nfs/dbraw/zinc/89/64/37/1071896437.db2.gz CLXDOJGPAUYLBO-IEBWSBKVSA-N 1 1 468.606 3.577 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073635 1071927347 /nfs/dbraw/zinc/92/73/47/1071927347.db2.gz FRYIUHHUPDQSES-IBVKSMDESA-N 1 1 471.646 3.955 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC001314073100 1071926160 /nfs/dbraw/zinc/92/61/60/1071926160.db2.gz BCEOABTVVZDFHY-JXALWOEJSA-N 1 1 477.675 3.546 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001314082657 1071947131 /nfs/dbraw/zinc/94/71/31/1071947131.db2.gz NGTKEEXOVRPOFP-WIOPSUGQSA-N 1 1 492.064 3.577 20 0 JHADMO CCO[C@@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCn2cc[nH+]c2C)CCOC1 ZINC001314099239 1071981517 /nfs/dbraw/zinc/98/15/17/1071981517.db2.gz JCMKPPMUJZBANG-DEOSSOPVSA-N 1 1 456.566 3.689 20 0 JHADMO 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CCO[C@]1(c2nnc(N3CC[NH+](Cc4cc(C)ccc4OC)CC3)n2CCC(C)C)CCOC1 ZINC001314135199 1072047267 /nfs/dbraw/zinc/04/72/67/1072047267.db2.gz LEHGSXBCPWKQOI-AREMUKBSSA-N 1 1 471.646 3.616 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(C(=O)NC)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001305932556 1068233480 /nfs/dbraw/zinc/23/34/80/1068233480.db2.gz ZDIOAGQPOYNTIN-OYRHEFFESA-N 1 1 466.674 3.838 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCC(C)(C)O)cc1 ZINC001305933882 1068234452 /nfs/dbraw/zinc/23/44/52/1068234452.db2.gz HNCZHXUVYYGQOP-UHFFFAOYSA-N 1 1 468.690 3.663 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305937316 1068241803 /nfs/dbraw/zinc/24/18/03/1068241803.db2.gz KUSOYPZTFYQNLE-OAQYLSRUSA-N 1 1 495.590 3.758 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](CCOC)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305937834 1068243079 /nfs/dbraw/zinc/24/30/79/1068243079.db2.gz YGRYEFQXBNJPTD-VWNXMTODSA-N 1 1 455.647 3.727 20 0 JHADMO 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CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306317969 1068740698 /nfs/dbraw/zinc/74/06/98/1068740698.db2.gz MBNACHDYXUNZFQ-FQEVSTJZSA-N 1 1 480.078 3.876 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 ZINC001306319266 1068744618 /nfs/dbraw/zinc/74/46/18/1068744618.db2.gz RYYUOHCQHKWTBL-TZIWHRDSSA-N 1 1 487.645 3.851 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001306319776 1068746604 /nfs/dbraw/zinc/74/66/04/1068746604.db2.gz WOHXYNLIEBJHFK-UNMCSNQZSA-N 1 1 489.064 3.599 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319963 1068747488 /nfs/dbraw/zinc/74/74/88/1068747488.db2.gz XZKQYTNKXLDCQO-ISKFKSNPSA-N 1 1 482.673 3.968 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 ZINC001306319804 1068747616 /nfs/dbraw/zinc/74/76/16/1068747616.db2.gz XCMKLIWWYBSNTG-LJQANCHMSA-N 1 1 475.659 3.789 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001306320229 1068748631 /nfs/dbraw/zinc/74/86/31/1068748631.db2.gz RSFAOAFELDTVGD-SFHLNBCPSA-N 1 1 491.727 3.943 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320967 1068750086 /nfs/dbraw/zinc/75/00/86/1068750086.db2.gz CRBIBCRULDWURD-VXKWHMMOSA-N 1 1 476.666 3.699 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001306321091 1068750884 /nfs/dbraw/zinc/75/08/84/1068750884.db2.gz YVTIXTJWIBDMBY-HXUWFJFHSA-N 1 1 480.078 3.876 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001306321060 1068750991 /nfs/dbraw/zinc/75/09/91/1068750991.db2.gz ASQWZKVVBZSUSK-RBBKRZOGSA-N 1 1 452.647 3.713 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306322104 1068752940 /nfs/dbraw/zinc/75/29/40/1068752940.db2.gz CILDPQDCNBMXFX-QFIPXVFZSA-N 1 1 470.662 3.913 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001306322034 1068753158 /nfs/dbraw/zinc/75/31/58/1068753158.db2.gz IJOGYBJOWNPMRR-HXUWFJFHSA-N 1 1 453.566 3.654 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306323255 1068756404 /nfs/dbraw/zinc/75/64/04/1068756404.db2.gz NWXFQCIDNHRDJG-DHIUTWEWSA-N 1 1 474.694 3.867 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306323258 1068756571 /nfs/dbraw/zinc/75/65/71/1068756571.db2.gz NWXFQCIDNHRDJG-XZOQPEGZSA-N 1 1 474.694 3.867 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306324046 1068758489 /nfs/dbraw/zinc/75/84/89/1068758489.db2.gz NBEKESJIFNWEGJ-WIOPSUGQSA-N 1 1 495.716 3.906 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306326428 1068764388 /nfs/dbraw/zinc/76/43/88/1068764388.db2.gz ZAMGWAVYMZFHFE-XMMPIXPASA-N 1 1 475.641 3.912 20 0 JHADMO CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001306340908 1068777426 /nfs/dbraw/zinc/77/74/26/1068777426.db2.gz MYIXYXPPFWFBGQ-YTFSRNRJSA-N 1 1 460.711 3.851 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306340512 1068777447 /nfs/dbraw/zinc/77/74/47/1068777447.db2.gz GMCGCSHPTDYZPX-MDNUFGMLSA-N 1 1 488.702 3.569 20 0 JHADMO CC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306340656 1068777570 /nfs/dbraw/zinc/77/75/70/1068777570.db2.gz XPKHJIZITLYTPK-ZCNNSNEGSA-N 1 1 488.702 3.784 20 0 JHADMO CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306340912 1068777589 /nfs/dbraw/zinc/77/75/89/1068777589.db2.gz CRJJIGJDTVEMBJ-MYDTUXCISA-N 1 1 460.711 3.849 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001306343618 1068780122 /nfs/dbraw/zinc/78/01/22/1068780122.db2.gz DCGOCHGQTGAWDK-GOSISDBHSA-N 1 1 477.539 3.574 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001306346237 1068783744 /nfs/dbraw/zinc/78/37/44/1068783744.db2.gz UXNVUZVBPJXVMW-SJLPKXTDSA-N 1 1 478.435 3.816 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001306346237 1068783754 /nfs/dbraw/zinc/78/37/54/1068783754.db2.gz UXNVUZVBPJXVMW-SJLPKXTDSA-N 1 1 478.435 3.816 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306356435 1068791147 /nfs/dbraw/zinc/79/11/47/1068791147.db2.gz USELGHWXCKEQIF-VWNXMTODSA-N 1 1 482.673 3.795 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001306357575 1068792354 /nfs/dbraw/zinc/79/23/54/1068792354.db2.gz DAHSZDDWTMENLN-FQEVSTJZSA-N 1 1 452.647 3.881 20 0 JHADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306359247 1068794914 /nfs/dbraw/zinc/79/49/14/1068794914.db2.gz RUAHTCRCWLCOAM-RTBURBONSA-N 1 1 462.683 3.711 20 0 JHADMO 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 1068807677 /nfs/dbraw/zinc/80/76/77/1068807677.db2.gz LRAZXOKAHJIBDB-CBPXPLCBSA-N 1 1 490.693 3.943 20 0 JHADMO CCC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001306379870 1068811026 /nfs/dbraw/zinc/81/10/26/1068811026.db2.gz IXIFYBHTRYMHFD-QFIPXVFZSA-N 1 1 468.690 3.724 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCS1 ZINC001306385656 1068819249 /nfs/dbraw/zinc/81/92/49/1068819249.db2.gz PURHZHUZYMKATK-GGPKGHCWSA-N 1 1 476.716 3.893 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001306388345 1068823676 /nfs/dbraw/zinc/82/36/76/1068823676.db2.gz VOIFMWDTJUPBFE-QUCCMNQESA-N 1 1 495.594 3.865 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001306391391 1068831354 /nfs/dbraw/zinc/83/13/54/1068831354.db2.gz WRQCXZFMLVOJOX-AWEZNQCLSA-N 1 1 457.516 3.727 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@H]2C)C[C@@H](C)O1 ZINC001306395407 1068840590 /nfs/dbraw/zinc/84/05/90/1068840590.db2.gz BTOQNCOWTVWYFG-JFIYKMOQSA-N 1 1 465.440 3.534 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001306403261 1068866318 /nfs/dbraw/zinc/86/63/18/1068866318.db2.gz FGDPSXFAJPSBDK-DHIUTWEWSA-N 1 1 455.647 3.705 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)CC[N@H+]1CCOC ZINC001306403924 1068867699 /nfs/dbraw/zinc/86/76/99/1068867699.db2.gz HHLWLFUDURMORB-VQTJNVASSA-N 1 1 492.462 3.742 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccsc2)CC[N@H+]1CCOC ZINC001306403555 1068867825 /nfs/dbraw/zinc/86/78/25/1068867825.db2.gz SAMADKAWXYZGGE-FQEVSTJZSA-N 1 1 471.627 3.619 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2csc(COC)n2)CC[N@H+]1CCOC ZINC001306404950 1068870260 /nfs/dbraw/zinc/87/02/60/1068870260.db2.gz XGTIOQVQHUWSLX-FQEVSTJZSA-N 1 1 491.061 3.797 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001306404679 1068870365 /nfs/dbraw/zinc/87/03/65/1068870365.db2.gz LESUOWKRJHLSJA-LJQANCHMSA-N 1 1 492.462 3.742 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001306404679 1068870379 /nfs/dbraw/zinc/87/03/79/1068870379.db2.gz LESUOWKRJHLSJA-LJQANCHMSA-N 1 1 492.462 3.742 20 0 JHADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001306405067 1068871488 /nfs/dbraw/zinc/87/14/88/1068871488.db2.gz YEQCQTPOOIIFKT-MZKRTTBSSA-N 1 1 475.081 3.876 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)OC)CC[N@H+]1CCOC ZINC001306405505 1068873067 /nfs/dbraw/zinc/87/30/67/1068873067.db2.gz DORUVWPYGOFIRJ-AZUAARDMSA-N 1 1 461.676 3.857 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001306407284 1068880910 /nfs/dbraw/zinc/88/09/10/1068880910.db2.gz XSTLDFNUENFCAI-IAGOWNOFSA-N 1 1 498.491 3.621 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001306407286 1068881075 /nfs/dbraw/zinc/88/10/75/1068881075.db2.gz XSTLDFNUENFCAI-IRXDYDNUSA-N 1 1 498.491 3.621 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCCCO)C[C@H]1[NH+]1CCOCC1 ZINC001306407756 1068883751 /nfs/dbraw/zinc/88/37/51/1068883751.db2.gz CZXDNKIZCGPXKY-PGRDOPGGSA-N 1 1 480.028 3.837 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001306407939 1068883950 /nfs/dbraw/zinc/88/39/50/1068883950.db2.gz GAOYCMHWWAINMN-NRFANRHFSA-N 1 1 455.603 3.618 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001306410005 1068889689 /nfs/dbraw/zinc/88/96/89/1068889689.db2.gz MMUDANLTTXMFSM-LJQANCHMSA-N 1 1 489.546 3.544 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccsc2)CC[N@H+]1CCOC ZINC001306410692 1068891037 /nfs/dbraw/zinc/89/10/37/1068891037.db2.gz RSVXAXUTHSOJAA-WMZHIEFXSA-N 1 1 491.061 3.510 20 0 JHADMO 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CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCc2cccc(F)c2)CC[N@H+]1CCOC ZINC001306414968 1068902707 /nfs/dbraw/zinc/90/27/07/1068902707.db2.gz AZAHNXOCRAFRFA-HSZRJFAPSA-N 1 1 452.578 3.659 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCc2ccc(Cl)c(OC)c2)CC[N@H+]1CCOC ZINC001306415536 1068904191 /nfs/dbraw/zinc/90/41/91/1068904191.db2.gz QHSKIJCGELLOAH-FQEVSTJZSA-N 1 1 485.032 3.792 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)CCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306419584 1068911183 /nfs/dbraw/zinc/91/11/83/1068911183.db2.gz OZBFIVWFNYZIJS-CIXCFARBSA-N 1 1 485.673 3.688 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CC[NH+](CC)CC2)CCS1 ZINC001306420159 1068911973 /nfs/dbraw/zinc/91/19/73/1068911973.db2.gz SSYZWKZRDRZENA-HXUWFJFHSA-N 1 1 460.667 3.834 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(F)c2F)CC[N@H+]1CCOC ZINC001306423866 1068917180 /nfs/dbraw/zinc/91/71/80/1068917180.db2.gz NPTVEFYDTBZNMH-FQEVSTJZSA-N 1 1 470.568 3.716 20 0 JHADMO 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CCCC(O)(CCC)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306596980 1069271796 /nfs/dbraw/zinc/27/17/96/1069271796.db2.gz YACFEOIWTCVWJJ-UHFFFAOYSA-N 1 1 471.694 3.940 20 0 JHADMO Cn1nc(C(F)(F)F)c(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c1Cl ZINC001311113109 1069276607 /nfs/dbraw/zinc/27/66/07/1069276607.db2.gz ZQJRPYMDCCFLNK-UHFFFAOYSA-N 1 1 459.900 3.895 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(F)F ZINC001311174218 1069289456 /nfs/dbraw/zinc/28/94/56/1069289456.db2.gz CEYKKYANKQGDFU-GOSISDBHSA-N 1 1 458.525 3.592 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(F)F ZINC001311174218 1069289467 /nfs/dbraw/zinc/28/94/67/1069289467.db2.gz CEYKKYANKQGDFU-GOSISDBHSA-N 1 1 458.525 3.592 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2OCC[C@H]2C)CC[N@H+]1CCOC ZINC001306615277 1069295525 /nfs/dbraw/zinc/29/55/25/1069295525.db2.gz WYMNADSJOJBMEY-AGILITTLSA-N 1 1 498.672 3.509 20 0 JHADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 ZINC001311254923 1069308800 /nfs/dbraw/zinc/30/88/00/1069308800.db2.gz JVASVBAVSHPOHQ-GOSISDBHSA-N 1 1 453.425 3.776 20 0 JHADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621085 719070098 /nfs/dbraw/zinc/07/00/98/719070098.db2.gz GZELOZQKRUJYLB-QPPBQGQZSA-N 1 1 473.602 3.769 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)n1 ZINC001164651905 719304819 /nfs/dbraw/zinc/30/48/19/719304819.db2.gz MRWRBULSNYXSOH-YCRNBWNJSA-N 1 1 471.671 3.756 20 0 JHADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)C2)cc[nH+]1 ZINC001164665384 719357500 /nfs/dbraw/zinc/35/75/00/719357500.db2.gz VSKVKPYWLGHUDR-JOCHJYFZSA-N 1 1 493.002 3.834 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164685485 719722318 /nfs/dbraw/zinc/72/23/18/719722318.db2.gz LPZNPZWIKPVDOB-UHFFFAOYSA-N 1 1 458.340 3.662 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164690563 719759053 /nfs/dbraw/zinc/75/90/53/719759053.db2.gz DWXIIJZEZVKAEV-UHFFFAOYSA-N 1 1 467.923 3.662 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CSC)nc2sc3c(c21)CCCC3 ZINC001164708560 719868732 /nfs/dbraw/zinc/86/87/32/719868732.db2.gz ZWWUUYUDQOSENT-UPCLLVRISA-N 1 1 490.695 3.666 20 0 JHADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696938 719894165 /nfs/dbraw/zinc/89/41/65/719894165.db2.gz ILDJKUWQMINCAJ-UHFFFAOYSA-N 1 1 478.597 3.947 20 0 JHADMO COC(=O)c1cc2c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH]c(Cl)cc-2n1 ZINC001164698216 719896176 /nfs/dbraw/zinc/89/61/76/719896176.db2.gz PQWDTNGETBRATE-UHFFFAOYSA-N 1 1 460.987 3.936 20 0 JHADMO CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001164696237 719897500 /nfs/dbraw/zinc/89/75/00/719897500.db2.gz DJIKWLXFMUAXTD-UHFFFAOYSA-N 1 1 454.640 3.887 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)c2c1C ZINC001164703522 719920751 /nfs/dbraw/zinc/92/07/51/719920751.db2.gz KDFMUFISLWNNCH-NJYVYQBISA-N 1 1 499.681 3.547 20 0 JHADMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cn1 ZINC001164713762 720075382 /nfs/dbraw/zinc/07/53/82/720075382.db2.gz UBVFOSTULRJGBX-UXHICEINSA-N 1 1 473.606 3.538 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814272 720087816 /nfs/dbraw/zinc/08/78/16/720087816.db2.gz WKLBCPZLBOSFBA-GJZUVCINSA-N 1 1 469.029 3.850 20 0 JHADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711527 720096516 /nfs/dbraw/zinc/09/65/16/720096516.db2.gz QKICGTHWJJHDIA-AXKWSIDASA-N 1 1 450.583 3.560 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164717351 720111195 /nfs/dbraw/zinc/11/11/95/720111195.db2.gz NODIOHUPJGFQOT-GOSISDBHSA-N 1 1 451.949 3.886 20 0 JHADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)cc1OCC ZINC001164714066 720116406 /nfs/dbraw/zinc/11/64/06/720116406.db2.gz AAKNQWUZFZJOED-NRFANRHFSA-N 1 1 468.598 3.560 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164710460 720136775 /nfs/dbraw/zinc/13/67/75/720136775.db2.gz BQCDSSSJRDZBAW-SFHVURJKSA-N 1 1 451.949 3.765 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164711273 720139647 /nfs/dbraw/zinc/13/96/47/720139647.db2.gz GVDMMFOYRQWVGR-XMMPIXPASA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001164807047 720140364 /nfs/dbraw/zinc/14/03/64/720140364.db2.gz AWJOJOJSYQZQLI-HFZDXXHNSA-N 1 1 484.666 3.523 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164714055 720141641 /nfs/dbraw/zinc/14/16/41/720141641.db2.gz VTXKDAJGLNHJMS-SFHVURJKSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819043 720149081 /nfs/dbraw/zinc/14/90/81/720149081.db2.gz VQOXPSVUJWWCFL-IIBYNOLFSA-N 1 1 452.933 3.893 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)CC2 ZINC001164711112 720149823 /nfs/dbraw/zinc/14/98/23/720149823.db2.gz FJXSIRZLFJFVGD-OAQYLSRUSA-N 1 1 490.604 3.933 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164710825 720154585 /nfs/dbraw/zinc/15/45/85/720154585.db2.gz DIKHUTUZHXRXLW-QHCPKHFHSA-N 1 1 451.615 3.948 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164710824 720154834 /nfs/dbraw/zinc/15/48/34/720154834.db2.gz DIKHUTUZHXRXLW-HSZRJFAPSA-N 1 1 451.615 3.948 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814138 720206864 /nfs/dbraw/zinc/20/68/64/720206864.db2.gz SYBLWLSXIXFZKJ-JTSKRJEESA-N 1 1 454.446 3.958 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(Cc3ccccc3)n1)CCC2 ZINC001164813489 720230822 /nfs/dbraw/zinc/23/08/22/720230822.db2.gz OXCWRLAMKBRRID-UHFFFAOYSA-N 1 1 452.990 3.528 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(OCc3cccc(Cl)c3)n1)CCC2 ZINC001164817363 720243373 /nfs/dbraw/zinc/24/33/73/720243373.db2.gz QPJIHKZUXGMDLL-UHFFFAOYSA-N 1 1 468.989 3.516 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C2)C1 ZINC001164721294 720287433 /nfs/dbraw/zinc/28/74/33/720287433.db2.gz JGGKYLMDAPOLHL-DEOSSOPVSA-N 1 1 485.679 3.701 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C2)C1 ZINC001164721294 720287442 /nfs/dbraw/zinc/28/74/42/720287442.db2.gz JGGKYLMDAPOLHL-DEOSSOPVSA-N 1 1 485.679 3.701 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164723712 720295882 /nfs/dbraw/zinc/29/58/82/720295882.db2.gz XBRMZMXITDXGOC-HHHXNRCGSA-N 1 1 491.661 3.901 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164723712 720295890 /nfs/dbraw/zinc/29/58/90/720295890.db2.gz XBRMZMXITDXGOC-HHHXNRCGSA-N 1 1 491.661 3.901 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C2)C1 ZINC001164721004 720301404 /nfs/dbraw/zinc/30/14/04/720301404.db2.gz HJQCVMGOZFTOAB-MUUNZHRXSA-N 1 1 487.604 3.601 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C2)C1 ZINC001164721004 720301409 /nfs/dbraw/zinc/30/14/09/720301409.db2.gz HJQCVMGOZFTOAB-MUUNZHRXSA-N 1 1 487.604 3.601 20 0 JHADMO Clc1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722687 720346829 /nfs/dbraw/zinc/34/68/29/720346829.db2.gz GLFQFSWEEWBGPY-ZEQRLZLVSA-N 1 1 461.013 3.937 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164826893 720383708 /nfs/dbraw/zinc/38/37/08/720383708.db2.gz YDBFJNMBLZVTAY-QHCPKHFHSA-N 1 1 482.698 3.707 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164835734 720523380 /nfs/dbraw/zinc/52/33/80/720523380.db2.gz KPLPFUKSQTVNGX-XYJFISCASA-N 1 1 467.948 3.641 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC[C@@H]21 ZINC001164843047 720542047 /nfs/dbraw/zinc/54/20/47/720542047.db2.gz ZOVZBUZWBURSPX-FYQPLNBISA-N 1 1 485.036 3.753 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834605 720546878 /nfs/dbraw/zinc/54/68/78/720546878.db2.gz FDTFNRIUDUYROH-DBXWQHBBSA-N 1 1 468.989 3.644 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC[C@@H]21 ZINC001164843266 720610220 /nfs/dbraw/zinc/61/02/20/720610220.db2.gz XIIIKRKTTQGRAF-BXWFABGCSA-N 1 1 450.965 3.738 20 0 JHADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164839229 720631198 /nfs/dbraw/zinc/63/11/98/720631198.db2.gz MOESBVSYGLGVRB-YTFSRNRJSA-N 1 1 459.598 3.612 20 0 JHADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739602 720658990 /nfs/dbraw/zinc/65/89/90/720658990.db2.gz OEXLFPFKAULCLE-QZTJIDSGSA-N 1 1 460.488 3.707 20 0 JHADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738964 720663676 /nfs/dbraw/zinc/66/36/76/720663676.db2.gz LQRJLFGFLWYPFB-GOTSBHOMSA-N 1 1 450.546 3.943 20 0 JHADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743198 720670863 /nfs/dbraw/zinc/67/08/63/720670863.db2.gz WYBWLRAUUZVTMD-KBPBESRZSA-N 1 1 467.307 3.613 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164837618 720703522 /nfs/dbraw/zinc/70/35/22/720703522.db2.gz FGFOXYDWOKNUEF-JOCHJYFZSA-N 1 1 466.626 3.818 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164836923 720711345 /nfs/dbraw/zinc/71/13/45/720711345.db2.gz BXGFWXMNAUSWPP-HSZRJFAPSA-N 1 1 484.666 3.516 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C(=O)OCC ZINC001164836893 720729465 /nfs/dbraw/zinc/72/94/65/720729465.db2.gz HSIBHDIZABNPRA-NRFANRHFSA-N 1 1 481.593 3.695 20 0 JHADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836880 720729528 /nfs/dbraw/zinc/72/95/28/720729528.db2.gz HGJZXEJUFBVEGV-LJQANCHMSA-N 1 1 458.006 3.530 20 0 JHADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)cn1 ZINC001164744651 720740844 /nfs/dbraw/zinc/74/08/44/720740844.db2.gz RWCUKYWDWUNWFV-LEWJYISDSA-N 1 1 493.995 3.969 20 0 JHADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164745322 720803160 /nfs/dbraw/zinc/80/31/60/720803160.db2.gz JYKXKFLBUURKNX-DOTOQJQBSA-N 1 1 459.337 3.708 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164742711 720806711 /nfs/dbraw/zinc/80/67/11/720806711.db2.gz DCDMYYWQAXTVRS-SJORKVTESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164742711 720806712 /nfs/dbraw/zinc/80/67/12/720806712.db2.gz DCDMYYWQAXTVRS-SJORKVTESA-N 1 1 476.890 3.613 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@@H]3C2)n1 ZINC001164852333 720813065 /nfs/dbraw/zinc/81/30/65/720813065.db2.gz NFERWXGEZQTDOU-PMACEKPBSA-N 1 1 464.639 3.640 20 0 JHADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744943 720814089 /nfs/dbraw/zinc/81/40/89/720814089.db2.gz JXSYEPQALSPZEP-IIDMSEBBSA-N 1 1 457.356 3.904 20 0 JHADMO Fc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1F ZINC001164742069 720823780 /nfs/dbraw/zinc/82/37/80/720823780.db2.gz PLJCMUUQXFIMER-STXHMFSFSA-N 1 1 459.932 3.532 20 0 JHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746874 720824887 /nfs/dbraw/zinc/82/48/87/720824887.db2.gz ZJJOFCDYLKNBNR-DJPFJPOOSA-N 1 1 473.959 3.799 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc56)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738380 720826827 /nfs/dbraw/zinc/82/68/27/720826827.db2.gz FDKNJAAAPOTFAB-WZOHSFFVSA-N 1 1 454.582 3.596 20 0 JHADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739832 720826922 /nfs/dbraw/zinc/82/69/22/720826922.db2.gz IZIZALWLZLUTAC-JTDSTZFVSA-N 1 1 458.397 3.908 20 0 JHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3c2c1 ZINC001164739459 720843705 /nfs/dbraw/zinc/84/37/05/720843705.db2.gz AHQCRKRFRSYVLN-YRISNDGFSA-N 1 1 462.989 3.735 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745188 720844399 /nfs/dbraw/zinc/84/43/99/720844399.db2.gz MMRMAADHFSDBNX-KYPHJKQUSA-N 1 1 486.620 3.815 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@H]2C1 ZINC001164851811 720848112 /nfs/dbraw/zinc/84/81/12/720848112.db2.gz HZNHKKYHGASQFB-GUYCJALGSA-N 1 1 461.340 3.655 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745445 720856242 /nfs/dbraw/zinc/85/62/42/720856242.db2.gz DLSQLFUWVUUXRW-ONBPZOJHSA-N 1 1 487.652 3.664 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753884 720859381 /nfs/dbraw/zinc/85/93/81/720859381.db2.gz ZAWDRSXNRMKPCS-BFYDXBDKSA-N 1 1 473.355 3.784 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC[C@H]2C1 ZINC001164855489 720861620 /nfs/dbraw/zinc/86/16/20/720861620.db2.gz MYQAOMJVVVHZPB-YADARESESA-N 1 1 450.558 3.918 20 0 JHADMO Clc1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752318 720868948 /nfs/dbraw/zinc/86/89/48/720868948.db2.gz MLGZBUHTRROGTB-NTKDMRAZSA-N 1 1 452.990 3.761 20 0 JHADMO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749172 720872523 /nfs/dbraw/zinc/87/25/23/720872523.db2.gz HMVMSLYEZIUQOC-JCCACQIHSA-N 1 1 476.621 3.808 20 0 JHADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2cnccc12 ZINC001164747124 720876532 /nfs/dbraw/zinc/87/65/32/720876532.db2.gz AAILPDNECCDUTE-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO COc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164752282 720877648 /nfs/dbraw/zinc/87/76/48/720877648.db2.gz MLBSWWHYLHLEGJ-DWACAAAGSA-N 1 1 489.620 3.797 20 0 JHADMO COc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747926 720878694 /nfs/dbraw/zinc/87/86/94/720878694.db2.gz CIMNZLBGXOIVQO-WXVAWEFUSA-N 1 1 459.594 3.789 20 0 JHADMO Clc1nc2cnccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756226 720882529 /nfs/dbraw/zinc/88/25/29/720882529.db2.gz OLZNCRQNICZLNH-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@H]2C1 ZINC001164856719 720883623 /nfs/dbraw/zinc/88/36/23/720883623.db2.gz JBMGBKFCISVNMQ-CVDCTZTESA-N 1 1 457.018 3.849 20 0 JHADMO Clc1nc2cccnc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758490 720889289 /nfs/dbraw/zinc/88/92/89/720889289.db2.gz YMLJZAWKAJQPEZ-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ncccc12 ZINC001164757182 720890477 /nfs/dbraw/zinc/89/04/77/720890477.db2.gz UDDRKIHUSFIECC-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)CC[C@@H]2C1 ZINC001164856795 720892246 /nfs/dbraw/zinc/89/22/46/720892246.db2.gz GRKOIZOYGWXSFU-NQIIRXRSSA-N 1 1 466.960 3.824 20 0 JHADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164750497 720892447 /nfs/dbraw/zinc/89/24/47/720892447.db2.gz BICJBGLVZUOINE-WNCULLNHSA-N 1 1 459.594 3.789 20 0 JHADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755680 720895320 /nfs/dbraw/zinc/89/53/20/720895320.db2.gz MNMSVWSAOBGJKT-AMGIVPHBSA-N 1 1 479.625 3.582 20 0 JHADMO CSc1nc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755345 720898512 /nfs/dbraw/zinc/89/85/12/720898512.db2.gz LDASVZIBLCPGQO-NTKDMRAZSA-N 1 1 482.679 3.958 20 0 JHADMO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749753 720900295 /nfs/dbraw/zinc/90/02/95/720900295.db2.gz APFVSARPJSYHBY-YGAGRWJCSA-N 1 1 476.621 3.726 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH]cc1-2 ZINC001164746495 720907381 /nfs/dbraw/zinc/90/73/81/720907381.db2.gz AZAWDNNGSFBIEC-RBISFHTESA-N 1 1 489.620 3.890 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH]cc1-2 ZINC001164746495 720907387 /nfs/dbraw/zinc/90/73/87/720907387.db2.gz AZAWDNNGSFBIEC-RBISFHTESA-N 1 1 489.620 3.890 20 0 JHADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccncc2)n1 ZINC001164754651 720908353 /nfs/dbraw/zinc/90/83/53/720908353.db2.gz WTMVINKZTQNHOP-LBNVMWSVSA-N 1 1 470.621 3.997 20 0 JHADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccccn2)n1 ZINC001164754600 720908545 /nfs/dbraw/zinc/90/85/45/720908545.db2.gz WCIADTJMNXNBRK-YWEHKCAJSA-N 1 1 470.621 3.997 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccnc(N4CCCCC4)n2)C3)c1 ZINC001164750170 720908626 /nfs/dbraw/zinc/90/86/26/720908626.db2.gz JNWWOEZAHQEMIU-IGKIAQTJSA-N 1 1 462.642 3.617 20 0 JHADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccccn2)n1 ZINC001164754598 720908669 /nfs/dbraw/zinc/90/86/69/720908669.db2.gz WCIADTJMNXNBRK-RBJSKKJNSA-N 1 1 470.621 3.997 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCCCC4)ncn2)C3)c1 ZINC001164755083 720910968 /nfs/dbraw/zinc/91/09/68/720910968.db2.gz YDLAWCOEBQTUEP-SQHAQQRYSA-N 1 1 462.642 3.617 20 0 JHADMO Cc1noc(-c2cccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753161 720912083 /nfs/dbraw/zinc/91/20/83/720912083.db2.gz QQFGGLRFGRSHEK-GJZUVCINSA-N 1 1 460.582 3.590 20 0 JHADMO Cc1noc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)n1 ZINC001164752764 720913719 /nfs/dbraw/zinc/91/37/19/720913719.db2.gz OQZAGLQRQITOLG-ZEQKJWHPSA-N 1 1 460.582 3.590 20 0 JHADMO CC(C)OC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748997 720931104 /nfs/dbraw/zinc/93/11/04/720931104.db2.gz HETDFHUGEWGEEA-YIXXDRMTSA-N 1 1 464.610 3.797 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164754256 720933405 /nfs/dbraw/zinc/93/34/05/720933405.db2.gz VOTAKLQYQJCWGJ-QFQXNSOFSA-N 1 1 485.028 3.980 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164754255 720933661 /nfs/dbraw/zinc/93/36/61/720933661.db2.gz VOTAKLQYQJCWGJ-LVXARBLLSA-N 1 1 485.028 3.980 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)[C@@H]2C ZINC001164862688 720957686 /nfs/dbraw/zinc/95/76/86/720957686.db2.gz XASOJAZNZQQFRH-NVXWUHKLSA-N 1 1 458.998 3.797 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)[C@H]2C ZINC001164862687 720958376 /nfs/dbraw/zinc/95/83/76/720958376.db2.gz XASOJAZNZQQFRH-DOTOQJQBSA-N 1 1 458.998 3.797 20 0 JHADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856237 721004150 /nfs/dbraw/zinc/00/41/50/721004150.db2.gz ADBMHQQRLYYJLB-SFHVURJKSA-N 1 1 483.686 3.758 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)n1 ZINC001164763492 721008668 /nfs/dbraw/zinc/00/86/68/721008668.db2.gz XLZXRZJXBCNBQR-HKBOAZHASA-N 1 1 467.639 3.965 20 0 JHADMO COc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)c1 ZINC001164861319 721034399 /nfs/dbraw/zinc/03/43/99/721034399.db2.gz GIOZCBQIUAZKFT-UHFFFAOYSA-N 1 1 485.926 3.855 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765170 721120841 /nfs/dbraw/zinc/12/08/41/721120841.db2.gz JCGMWBNOHSOCSP-RPWUZVMVSA-N 1 1 451.578 3.897 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164870229 721134983 /nfs/dbraw/zinc/13/49/83/721134983.db2.gz BXVKJYFWANHTQX-ZEQRLZLVSA-N 1 1 458.562 3.718 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870347 721158359 /nfs/dbraw/zinc/15/83/59/721158359.db2.gz CPENBZYPODXJNS-ROUUACIJSA-N 1 1 472.927 3.612 20 0 JHADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869744 721184231 /nfs/dbraw/zinc/18/42/31/721184231.db2.gz ANEYLNZEXZUQRD-QUCCMNQESA-N 1 1 455.921 3.936 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870889 721188186 /nfs/dbraw/zinc/18/81/86/721188186.db2.gz XFMGDTMBFPZYAH-RBUKOAKNSA-N 1 1 467.957 3.806 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870887 721188434 /nfs/dbraw/zinc/18/84/34/721188434.db2.gz XFMGDTMBFPZYAH-OALUTQOASA-N 1 1 467.957 3.806 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870891 721188697 /nfs/dbraw/zinc/18/86/97/721188697.db2.gz XFMGDTMBFPZYAH-RTBURBONSA-N 1 1 467.957 3.806 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164771500 721218889 /nfs/dbraw/zinc/21/88/89/721218889.db2.gz QPWHSFCZZWWMBL-VXKWHMMOSA-N 1 1 454.578 3.997 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)NCc5ccco5)[C@H]4C3)c2c1C ZINC001164760727 721256596 /nfs/dbraw/zinc/25/65/96/721256596.db2.gz GOMZEVNFTXWCET-HLAWJBBLSA-N 1 1 495.649 3.512 20 0 JHADMO Cc1ccc(-c2nnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c3ccccc32)cc1C ZINC001164875975 721285773 /nfs/dbraw/zinc/28/57/73/721285773.db2.gz ZVFVEAHRSDYRFL-UHFFFAOYSA-N 1 1 487.648 3.921 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC2)C1 ZINC001164877141 721294028 /nfs/dbraw/zinc/29/40/28/721294028.db2.gz LELKVRZRICGRTQ-UHFFFAOYSA-N 1 1 482.959 3.547 20 0 JHADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2C)C1=O ZINC001164779128 721320682 /nfs/dbraw/zinc/32/06/82/721320682.db2.gz UDLMRDYDHIZVKC-SSOJOUAXSA-N 1 1 453.656 3.861 20 0 JHADMO CCOC(=O)c1sc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1C ZINC001164778093 721331997 /nfs/dbraw/zinc/33/19/97/721331997.db2.gz UIWMMDGNPUQVOW-RUZDIDTESA-N 1 1 499.637 3.900 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3-c3ccncc3)C2)C1 ZINC001164778828 721338695 /nfs/dbraw/zinc/33/86/95/721338695.db2.gz YSASZCGSBPPFLR-XMMPIXPASA-N 1 1 468.989 3.916 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164777851 721339878 /nfs/dbraw/zinc/33/98/78/721339878.db2.gz IXSGWFHAYKTEHH-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164777851 721339882 /nfs/dbraw/zinc/33/98/82/721339882.db2.gz IXSGWFHAYKTEHH-HXUWFJFHSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164778715 721344876 /nfs/dbraw/zinc/34/48/76/721344876.db2.gz OAGCDGQFCZYJCQ-XMMPIXPASA-N 1 1 468.989 3.916 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164778715 721344881 /nfs/dbraw/zinc/34/48/81/721344881.db2.gz OAGCDGQFCZYJCQ-XMMPIXPASA-N 1 1 468.989 3.916 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164779061 721348362 /nfs/dbraw/zinc/34/83/62/721348362.db2.gz PYZOYDAXTYUCOC-OAQYLSRUSA-N 1 1 470.948 3.926 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164779061 721348369 /nfs/dbraw/zinc/34/83/69/721348369.db2.gz PYZOYDAXTYUCOC-OAQYLSRUSA-N 1 1 470.948 3.926 20 0 JHADMO CSc1nc2c(c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n1)CCCC2 ZINC001164776768 721348602 /nfs/dbraw/zinc/34/86/02/721348602.db2.gz CRTVDJBOXUPRIH-DEOSSOPVSA-N 1 1 457.644 3.801 20 0 JHADMO CSc1nc2c(c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n1)CCCC2 ZINC001164776768 721348603 /nfs/dbraw/zinc/34/86/03/721348603.db2.gz CRTVDJBOXUPRIH-DEOSSOPVSA-N 1 1 457.644 3.801 20 0 JHADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164882519 721348890 /nfs/dbraw/zinc/34/88/90/721348890.db2.gz FSQVXIVGDUHODL-AHKZPQOWSA-N 1 1 468.601 3.617 20 0 JHADMO COC(=O)C[C@H](c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781301 721364695 /nfs/dbraw/zinc/36/46/95/721364695.db2.gz ISAXMUCNQBKOJD-HOFKKMOUSA-N 1 1 482.625 3.862 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC[C@H](C)C4)cn3)C2)C1 ZINC001164780228 721365684 /nfs/dbraw/zinc/36/56/84/721365684.db2.gz DJENMJOCTPRBCF-DCFHFQCYSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC[C@H](C)C4)cn3)C2)C1 ZINC001164780228 721365685 /nfs/dbraw/zinc/36/56/85/721365685.db2.gz DJENMJOCTPRBCF-DCFHFQCYSA-N 1 1 481.641 3.678 20 0 JHADMO COc1cccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164780244 721366451 /nfs/dbraw/zinc/36/64/51/721366451.db2.gz DQQRCYRHHZWQLB-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1cccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164780244 721366454 /nfs/dbraw/zinc/36/64/54/721366454.db2.gz DQQRCYRHHZWQLB-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccccc1-c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783110 721367382 /nfs/dbraw/zinc/36/73/82/721367382.db2.gz PHIVIQBIEFVFKY-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccccc1-c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783110 721367385 /nfs/dbraw/zinc/36/73/85/721367385.db2.gz PHIVIQBIEFVFKY-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c2ccccc2c1OC ZINC001164787096 721371046 /nfs/dbraw/zinc/37/10/46/721371046.db2.gz YZIJLYGNPWUPRL-MHZLTWQESA-N 1 1 494.592 3.754 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C4CCC4)nc4[nH]ccc43)C2)C1 ZINC001164786941 721377040 /nfs/dbraw/zinc/37/70/40/721377040.db2.gz VKJKPVFFWHGDOI-VWLOTQADSA-N 1 1 450.587 3.949 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889521 721425476 /nfs/dbraw/zinc/42/54/76/721425476.db2.gz BFXMYSFUGIAAQT-ZHRRBRCNSA-N 1 1 450.414 3.702 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164893024 721433112 /nfs/dbraw/zinc/43/31/12/721433112.db2.gz ISTNTFFRSXBEQS-NIYFSFCBSA-N 1 1 487.044 3.830 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895397 721441562 /nfs/dbraw/zinc/44/15/62/721441562.db2.gz OJCCKFRLHBNXMI-GPUOULLFSA-N 1 1 490.023 3.690 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895799 721442735 /nfs/dbraw/zinc/44/27/35/721442735.db2.gz POAOXTYAGYRBSA-WIOPSUGQSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897571 721444989 /nfs/dbraw/zinc/44/49/89/721444989.db2.gz UFEJGGXPJGLRFH-CPJSRVTESA-N 1 1 464.639 3.519 20 0 JHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887838 721448422 /nfs/dbraw/zinc/44/84/22/721448422.db2.gz KMSRMPXVEQKYMK-CPJSRVTESA-N 1 1 472.033 3.996 20 0 JHADMO CCOC(=O)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ncc1Cl ZINC001164785111 721451891 /nfs/dbraw/zinc/45/18/91/721451891.db2.gz GNQAATKLTNLDBJ-IBGZPJMESA-N 1 1 466.022 3.646 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164786458 721457358 /nfs/dbraw/zinc/45/73/58/721457358.db2.gz MPTJAZJAAUDBRZ-OAQYLSRUSA-N 1 1 472.033 3.926 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3c1CCCC3)CC2 ZINC001164784301 721459006 /nfs/dbraw/zinc/45/90/06/721459006.db2.gz HGPXAHIEIYJEKF-HXUWFJFHSA-N 1 1 460.688 3.811 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164789387 721459285 /nfs/dbraw/zinc/45/92/85/721459285.db2.gz XPINBIKWWMHIHE-JOCHJYFZSA-N 1 1 459.631 3.771 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164789344 721461817 /nfs/dbraw/zinc/46/18/17/721461817.db2.gz XCRYIYLMANSUDJ-XMMPIXPASA-N 1 1 466.626 3.790 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164783685 721462402 /nfs/dbraw/zinc/46/24/02/721462402.db2.gz FIIAJPPBBSLRTM-JOCHJYFZSA-N 1 1 469.626 3.986 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164790003 721467461 /nfs/dbraw/zinc/46/74/61/721467461.db2.gz PWIDMZQDJNMFBQ-JOCHJYFZSA-N 1 1 466.626 3.886 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@H+]3C2)c1 ZINC001164896942 721517808 /nfs/dbraw/zinc/51/78/08/721517808.db2.gz CSKSYQBPKKCFRN-ISKFKSNPSA-N 1 1 459.569 3.516 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164899730 721519137 /nfs/dbraw/zinc/51/91/37/721519137.db2.gz LYTWYZPWFVVGNU-AEFFLSMTSA-N 1 1 467.923 3.756 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903016 721527520 /nfs/dbraw/zinc/52/75/20/721527520.db2.gz BURZBVURTIQYML-PKOBYXMFSA-N 1 1 468.554 3.863 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805547 721531082 /nfs/dbraw/zinc/53/10/82/721531082.db2.gz MGNCFASIPDHHBW-RVKKMQEKSA-N 1 1 455.962 3.660 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805547 721531084 /nfs/dbraw/zinc/53/10/84/721531084.db2.gz MGNCFASIPDHHBW-RVKKMQEKSA-N 1 1 455.962 3.660 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164909793 721542602 /nfs/dbraw/zinc/54/26/02/721542602.db2.gz RWRJUAXTQXXUID-LPHOPBHVSA-N 1 1 459.884 3.937 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164905790 721550228 /nfs/dbraw/zinc/55/02/28/721550228.db2.gz IFJGMTMYQJBBFQ-NVXWUHKLSA-N 1 1 455.864 3.548 20 0 JHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164905381 721551272 /nfs/dbraw/zinc/55/12/72/721551272.db2.gz HBQNEHCLWYHRRJ-SJLPKXTDSA-N 1 1 468.533 3.786 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800450 721559101 /nfs/dbraw/zinc/55/91/01/721559101.db2.gz FNDHLOVNGCQRKH-UBFVSLLYSA-N 1 1 472.568 3.882 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909283 721559349 /nfs/dbraw/zinc/55/93/49/721559349.db2.gz UDLZNICQSVRDSB-NQIIRXRSSA-N 1 1 450.514 3.642 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164809436 721559865 /nfs/dbraw/zinc/55/98/65/721559865.db2.gz XHSVAOBRRYXCJU-SDHSZQHLSA-N 1 1 454.578 3.743 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164810572 721559953 /nfs/dbraw/zinc/55/99/53/721559953.db2.gz YYSGOBOWOVFOQK-GVAUOCQISA-N 1 1 472.568 3.882 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)ccc-3c2=O)cc1 ZINC001164801003 721574365 /nfs/dbraw/zinc/57/43/65/721574365.db2.gz GCFDKMOBSGHBOX-NSVAZKTRSA-N 1 1 499.615 3.509 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)ccc-3c2=O)cc1 ZINC001164801003 721574371 /nfs/dbraw/zinc/57/43/71/721574371.db2.gz GCFDKMOBSGHBOX-NSVAZKTRSA-N 1 1 499.615 3.509 20 0 JHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907035 721586949 /nfs/dbraw/zinc/58/69/49/721586949.db2.gz QKOUHQILQJRCRK-QHCPKHFHSA-N 1 1 453.493 3.549 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@H]2CCCO[C@H]12 ZINC001164810267 721587015 /nfs/dbraw/zinc/58/70/15/721587015.db2.gz VPHCHBUZMWQQJF-SCTDSRPQSA-N 1 1 476.915 3.593 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@H]2CCCO[C@H]12 ZINC001164810267 721587018 /nfs/dbraw/zinc/58/70/18/721587018.db2.gz VPHCHBUZMWQQJF-SCTDSRPQSA-N 1 1 476.915 3.593 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(C)n2)cc1 ZINC001164805072 721587894 /nfs/dbraw/zinc/58/78/94/721587894.db2.gz KOHVYRZKWHHKIW-MVERNJQCSA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(C)n2)cc1 ZINC001164805072 721587898 /nfs/dbraw/zinc/58/78/98/721587898.db2.gz KOHVYRZKWHHKIW-MVERNJQCSA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164801620 721588383 /nfs/dbraw/zinc/58/83/83/721588383.db2.gz FCGNSUPNANSBNK-KWXIBIRDSA-N 1 1 473.621 3.956 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164801620 721588384 /nfs/dbraw/zinc/58/83/84/721588384.db2.gz FCGNSUPNANSBNK-KWXIBIRDSA-N 1 1 473.621 3.956 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164808333 721590728 /nfs/dbraw/zinc/59/07/28/721590728.db2.gz QRNQPDXMGAKZON-NSHGMRRFSA-N 1 1 481.931 3.635 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164808333 721590731 /nfs/dbraw/zinc/59/07/31/721590731.db2.gz QRNQPDXMGAKZON-NSHGMRRFSA-N 1 1 481.931 3.635 20 0 JHADMO CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906210 721698962 /nfs/dbraw/zinc/69/89/62/721698962.db2.gz MCGUMUSWTURUFV-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO COc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c(OC)c1 ZINC001164906223 721709747 /nfs/dbraw/zinc/70/97/47/721709747.db2.gz LCYWNTMPAXYCES-QHCPKHFHSA-N 1 1 455.509 3.780 20 0 JHADMO FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910506 721732701 /nfs/dbraw/zinc/73/27/01/721732701.db2.gz FODFIEXWUBBOQL-DEOSSOPVSA-N 1 1 461.520 3.948 20 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CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001306635288 1069341883 /nfs/dbraw/zinc/34/18/83/1069341883.db2.gz UGQVDPXGUTUVMM-UHFFFAOYSA-N 1 1 495.716 3.636 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001306635288 1069341898 /nfs/dbraw/zinc/34/18/98/1069341898.db2.gz UGQVDPXGUTUVMM-UHFFFAOYSA-N 1 1 495.716 3.636 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001306635288 1069341914 /nfs/dbraw/zinc/34/19/14/1069341914.db2.gz UGQVDPXGUTUVMM-UHFFFAOYSA-N 1 1 495.716 3.636 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccsc2Br)CC1 ZINC001311359244 1069343642 /nfs/dbraw/zinc/34/36/42/1069343642.db2.gz WKIQWQIJYSRCSI-UHFFFAOYSA-N 1 1 451.434 3.648 20 0 JHADMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001311361723 1069345117 /nfs/dbraw/zinc/34/51/17/1069345117.db2.gz WEQGOHVYLWNRMF-DBXWQHBBSA-N 1 1 455.018 3.613 20 0 JHADMO C[C@@H](CNC(=O)N1CCC(O)(c2ccccc2Cl)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311377120 1069351165 /nfs/dbraw/zinc/35/11/65/1069351165.db2.gz OCOWMMIKFJYLBO-FQEVSTJZSA-N 1 1 457.018 3.544 20 0 JHADMO CCN(OC)C(=O)CNC(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001311373428 1069349366 /nfs/dbraw/zinc/34/93/66/1069349366.db2.gz KREYKLPUWGYJGK-OAQYLSRUSA-N 1 1 458.628 3.680 20 0 JHADMO CCN(OC)C(=O)CNC(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001311373428 1069349382 /nfs/dbraw/zinc/34/93/82/1069349382.db2.gz KREYKLPUWGYJGK-OAQYLSRUSA-N 1 1 458.628 3.680 20 0 JHADMO COc1ccccc1[C@@H](NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)c1ccccn1 ZINC001311376940 1069350127 /nfs/dbraw/zinc/35/01/27/1069350127.db2.gz MFZOGWCYTANOIC-HFZDXXHNSA-N 1 1 459.594 3.690 20 0 JHADMO CCCC(=O)Nc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001311378240 1069351700 /nfs/dbraw/zinc/35/17/00/1069351700.db2.gz ZBKLZOMFRYIFTR-BJKOFHAPSA-N 1 1 457.663 3.904 20 0 JHADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388519 1069356965 /nfs/dbraw/zinc/35/69/65/1069356965.db2.gz DNMBYFNUXGPPFS-XUZZJYLKSA-N 1 1 457.018 3.595 20 0 JHADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001311390697 1069357988 /nfs/dbraw/zinc/35/79/88/1069357988.db2.gz QBOMLDVZOJJHLF-QHCPKHFHSA-N 1 1 459.034 3.923 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001311395415 1069360304 /nfs/dbraw/zinc/36/03/04/1069360304.db2.gz KAUCNDZBGWOPCR-NMMYMHLASA-N 1 1 453.631 3.894 20 0 JHADMO C[N@@H+](CCCNC(=O)NCCCN1CCN(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001311400066 1069362169 /nfs/dbraw/zinc/36/21/69/1069362169.db2.gz KJZJRALLPHTEMN-UHFFFAOYSA-N 1 1 450.071 3.806 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001311400546 1069362279 /nfs/dbraw/zinc/36/22/79/1069362279.db2.gz RXTWXTVWCITBKW-ROKPMTFOSA-N 1 1 453.631 3.752 20 0 JHADMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001311406902 1069365012 /nfs/dbraw/zinc/36/50/12/1069365012.db2.gz XITYJPKQTIPYPB-PMACEKPBSA-N 1 1 452.521 3.685 20 0 JHADMO CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306654303 1069366234 /nfs/dbraw/zinc/36/62/34/1069366234.db2.gz JQXUJKVBVNZWMS-RDGATRHJSA-N 1 1 466.674 3.632 20 0 JHADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC001311437471 1069379434 /nfs/dbraw/zinc/37/94/34/1069379434.db2.gz OPCCVRARZFFYHQ-IZZNHLLZSA-N 1 1 450.627 3.612 20 0 JHADMO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001311462283 1069389323 /nfs/dbraw/zinc/38/93/23/1069389323.db2.gz SSLFQHZKYBRXDO-LLVKDONJSA-N 1 1 451.192 3.918 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001306665250 1069391729 /nfs/dbraw/zinc/39/17/29/1069391729.db2.gz MHXWPBQXCKUMBH-QHCPKHFHSA-N 1 1 481.689 3.998 20 0 JHADMO C[NH+](C)C[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481623 1069397814 /nfs/dbraw/zinc/39/78/14/1069397814.db2.gz KNBLBCRHUNRFTI-NRFANRHFSA-N 1 1 450.414 3.955 20 0 JHADMO Cc1ccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001311481956 1069398115 /nfs/dbraw/zinc/39/81/15/1069398115.db2.gz NXRVZJFDTLWKAF-YKSBVNFPSA-N 1 1 457.640 3.741 20 0 JHADMO CCCOCc1ccccc1CNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311485499 1069399574 /nfs/dbraw/zinc/39/95/74/1069399574.db2.gz DTRXCVOZZUVBAP-SANMLTNESA-N 1 1 450.627 3.715 20 0 JHADMO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001306679365 1069403826 /nfs/dbraw/zinc/40/38/26/1069403826.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 1 1 467.662 3.554 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001306679365 1069403830 /nfs/dbraw/zinc/40/38/30/1069403830.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 1 1 467.662 3.554 20 0 JHADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 ZINC001311493037 1069404232 /nfs/dbraw/zinc/40/42/32/1069404232.db2.gz IMXSRKGNWNLVJI-GSPPDTAYSA-N 1 1 457.615 3.561 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001306679396 1069404910 /nfs/dbraw/zinc/40/49/10/1069404910.db2.gz JFRVCDCEENSGMY-UYAOXDASSA-N 1 1 483.642 3.685 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N3CC(OCCCc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001311495432 1069405766 /nfs/dbraw/zinc/40/57/66/1069405766.db2.gz JVDQFOCIAGUEJQ-SZPZYZBQSA-N 1 1 451.611 3.839 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001306679857 1069405845 /nfs/dbraw/zinc/40/58/45/1069405845.db2.gz UNQZTVSLDDOBPJ-RUZDIDTESA-N 1 1 452.603 3.789 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001306679867 1069406476 /nfs/dbraw/zinc/40/64/76/1069406476.db2.gz UOGXBDVUXTZKMU-HXUWFJFHSA-N 1 1 465.646 3.729 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497935 1069407017 /nfs/dbraw/zinc/40/70/17/1069407017.db2.gz SHFMDCKHMIXCES-AVJFOWIRSA-N 1 1 450.627 3.758 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497935 1069407024 /nfs/dbraw/zinc/40/70/24/1069407024.db2.gz SHFMDCKHMIXCES-AVJFOWIRSA-N 1 1 450.627 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC001306680792 1069408441 /nfs/dbraw/zinc/40/84/41/1069408441.db2.gz FXQQGFHLQYIZRW-HNNXBMFYSA-N 1 1 461.035 3.857 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCOCC2)CC1 ZINC001306681479 1069410298 /nfs/dbraw/zinc/41/02/98/1069410298.db2.gz ZQGKTDJYSBBTJC-UHFFFAOYSA-N 1 1 474.694 3.669 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001306681633 1069411213 /nfs/dbraw/zinc/41/12/13/1069411213.db2.gz PVKIYVBAIZTYQU-FQEVSTJZSA-N 1 1 484.670 3.547 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001306683516 1069417315 /nfs/dbraw/zinc/41/73/15/1069417315.db2.gz WDAXMHNVWUOGJE-VQTJNVASSA-N 1 1 489.462 3.687 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001306682648 1069413837 /nfs/dbraw/zinc/41/38/37/1069413837.db2.gz KPUFZZYZQXPQCB-MSOLQXFVSA-N 1 1 451.930 3.584 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001306682803 1069414677 /nfs/dbraw/zinc/41/46/77/1069414677.db2.gz LGHIUCPSKAZTNX-SFHVURJKSA-N 1 1 489.462 3.641 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306682759 1069414787 /nfs/dbraw/zinc/41/47/87/1069414787.db2.gz NJSFHBDBOGZAJI-UHFFFAOYSA-N 1 1 490.990 3.725 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001306682913 1069415326 /nfs/dbraw/zinc/41/53/26/1069415326.db2.gz MFEUXLMLYFCJSA-GOSISDBHSA-N 1 1 473.025 3.876 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001306683125 1069416004 /nfs/dbraw/zinc/41/60/04/1069416004.db2.gz PHSPDFLBNBDOLQ-RTWAWAEBSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001306684756 1069420055 /nfs/dbraw/zinc/42/00/55/1069420055.db2.gz SABGSQRWOLMEGQ-UHFFFAOYSA-N 1 1 466.630 3.638 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001306685035 1069420121 /nfs/dbraw/zinc/42/01/21/1069420121.db2.gz XZAMFOXRXPCIRY-UHFFFAOYSA-N 1 1 450.635 3.516 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306686569 1069423191 /nfs/dbraw/zinc/42/31/91/1069423191.db2.gz GSPSFMGSSLIPAK-NRFANRHFSA-N 1 1 493.027 3.503 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001306686472 1069423255 /nfs/dbraw/zinc/42/32/55/1069423255.db2.gz VTXFAZVGNNHDNO-UHFFFAOYSA-N 1 1 453.557 3.970 20 0 JHADMO 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CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001306693131 1069430190 /nfs/dbraw/zinc/43/01/90/1069430190.db2.gz XHZYERHVRAYIPY-HXUWFJFHSA-N 1 1 465.646 3.939 20 0 JHADMO CCCCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001306697583 1069433651 /nfs/dbraw/zinc/43/36/51/1069433651.db2.gz DVTJAVIPLTXPOM-KRWDZBQOSA-N 1 1 490.450 3.758 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1 ZINC001311556377 1069437589 /nfs/dbraw/zinc/43/75/89/1069437589.db2.gz PRZZAZUGMLGCRZ-WNCULLNHSA-N 1 1 450.627 3.978 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1 ZINC001311556377 1069437594 /nfs/dbraw/zinc/43/75/94/1069437594.db2.gz PRZZAZUGMLGCRZ-WNCULLNHSA-N 1 1 450.627 3.978 20 0 JHADMO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001306701518 1069436823 /nfs/dbraw/zinc/43/68/23/1069436823.db2.gz YLFWDIYRXYEFDB-KDURUIRLSA-N 1 1 492.510 3.841 20 0 JHADMO CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306703835 1069439781 /nfs/dbraw/zinc/43/97/81/1069439781.db2.gz OXQYVPKPMSNITG-WBVHZDCISA-N 1 1 495.491 3.558 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574369 1069445672 /nfs/dbraw/zinc/44/56/72/1069445672.db2.gz RVGPBBNUDYUJMP-UKILVPOCSA-N 1 1 450.627 3.996 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574369 1069445680 /nfs/dbraw/zinc/44/56/80/1069445680.db2.gz RVGPBBNUDYUJMP-UKILVPOCSA-N 1 1 450.627 3.996 20 0 JHADMO CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306708923 1069443214 /nfs/dbraw/zinc/44/32/14/1069443214.db2.gz OGFGCHJXNDJXRG-FQEVSTJZSA-N 1 1 461.054 3.630 20 0 JHADMO C[NH+]1CCN([C@@H](CNC(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC001311571666 1069443400 /nfs/dbraw/zinc/44/34/00/1069443400.db2.gz OBEBIWJQCXDMMK-VXKWHMMOSA-N 1 1 456.656 3.816 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306719909 1069454514 /nfs/dbraw/zinc/45/45/14/1069454514.db2.gz DWIOADZPEZNJHS-RLWLMLJZSA-N 1 1 474.694 3.810 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306722796 1069461711 /nfs/dbraw/zinc/46/17/11/1069461711.db2.gz LCPJFLGIBGWXTM-XZOQPEGZSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721560 1069457840 /nfs/dbraw/zinc/45/78/40/1069457840.db2.gz BMVBOZQBWMZDBZ-TZIWHRDSSA-N 1 1 458.630 3.702 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721637 1069458524 /nfs/dbraw/zinc/45/85/24/1069458524.db2.gz CUGCUPXFSARCQB-PZJWPPBQSA-N 1 1 485.629 3.616 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC001306722842 1069461881 /nfs/dbraw/zinc/46/18/81/1069461881.db2.gz LRNZVOUXYKSFNN-NHCUHLMSSA-N 1 1 455.651 3.670 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)C ZINC001306723197 1069462424 /nfs/dbraw/zinc/46/24/24/1069462424.db2.gz OTYAFLSPAXAIHT-FQEVSTJZSA-N 1 1 465.646 3.939 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306723344 1069463516 /nfs/dbraw/zinc/46/35/16/1069463516.db2.gz RSZJAGRXEFACGB-LVXARBLLSA-N 1 1 483.661 3.975 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723417 1069463584 /nfs/dbraw/zinc/46/35/84/1069463584.db2.gz QUERUYMOEUQVJD-RXVVDRJESA-N 1 1 474.675 3.655 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306723564 1069463957 /nfs/dbraw/zinc/46/39/57/1069463957.db2.gz UHOVQETYYDNKDW-UQBPGWFLSA-N 1 1 489.064 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306723562 1069464052 /nfs/dbraw/zinc/46/40/52/1069464052.db2.gz UHOVQETYYDNKDW-DFBJGRDBSA-N 1 1 489.064 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C ZINC001306723760 1069464830 /nfs/dbraw/zinc/46/48/30/1069464830.db2.gz UZMSQDLJAOGGOK-SJLPKXTDSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306724964 1069465743 /nfs/dbraw/zinc/46/57/43/1069465743.db2.gz APIZBGBISRPRLY-RBUKOAKNSA-N 1 1 474.600 3.503 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724686 1069465809 /nfs/dbraw/zinc/46/58/09/1069465809.db2.gz ZCARKZYVXGQUPT-IEBWSBKVSA-N 1 1 483.082 3.517 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306725708 1069466966 /nfs/dbraw/zinc/46/69/66/1069466966.db2.gz GUDNFUDNOSXHRB-BHDDXSALSA-N 1 1 490.693 3.930 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306725999 1069467710 /nfs/dbraw/zinc/46/77/10/1069467710.db2.gz JBUIGSCEVZUTAV-AVRDEDQJSA-N 1 1 490.599 3.790 20 0 JHADMO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1noc(Cc2ccccc2)n1 ZINC001311616166 1069467784 /nfs/dbraw/zinc/46/77/84/1069467784.db2.gz DWPZULNHZSOPNF-MRXNPFEDSA-N 1 1 455.509 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306726812 1069470505 /nfs/dbraw/zinc/47/05/05/1069470505.db2.gz NOAQNKFVILMBQQ-OAQYLSRUSA-N 1 1 459.660 3.974 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306727307 1069471723 /nfs/dbraw/zinc/47/17/23/1069471723.db2.gz PMAUNMRQOGMOCK-GHTZIAJQSA-N 1 1 489.690 3.565 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001306728521 1069476113 /nfs/dbraw/zinc/47/61/13/1069476113.db2.gz HLTBOOHXQMREOU-NCXUSEDFSA-N 1 1 459.557 3.940 20 0 JHADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629314 1069478287 /nfs/dbraw/zinc/47/82/87/1069478287.db2.gz BENUKFKQXPSBAV-YKSBVNFPSA-N 1 1 456.656 3.648 20 0 JHADMO COc1cc(OC)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(OC)c1 ZINC001311630802 1069478827 /nfs/dbraw/zinc/47/88/27/1069478827.db2.gz UCSRBPOKJBKPEZ-NZQKXSOJSA-N 1 1 453.583 3.909 20 0 JHADMO 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 1069479682 /nfs/dbraw/zinc/47/96/82/1069479682.db2.gz AVRZDIXFLWZDJH-NNXSRULWSA-N 1 1 488.721 3.640 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cn1 ZINC001311633192 1069480549 /nfs/dbraw/zinc/48/05/49/1069480549.db2.gz XATBWTSEDJJTOO-DEOSSOPVSA-N 1 1 457.534 3.688 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306730566 1069482531 /nfs/dbraw/zinc/48/25/31/1069482531.db2.gz NTKDORQBKVYGBL-SFTDATJTSA-N 1 1 488.702 3.785 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306730884 1069483540 /nfs/dbraw/zinc/48/35/40/1069483540.db2.gz ICPLRESPFYNLQW-NHCUHLMSSA-N 1 1 482.677 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001306732646 1069490194 /nfs/dbraw/zinc/49/01/94/1069490194.db2.gz WFZKSUNNISIYDW-QFIPXVFZSA-N 1 1 459.683 3.517 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306732179 1069488685 /nfs/dbraw/zinc/48/86/85/1069488685.db2.gz VFIKMQQPRFTXON-XMMPIXPASA-N 1 1 482.673 3.879 20 0 JHADMO C[C@@H]1CCC[C@@](CNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651726 1069489175 /nfs/dbraw/zinc/48/91/75/1069489175.db2.gz AFPUGTXHWVFOMU-HYBUGGRVSA-N 1 1 450.071 3.662 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001311651736 1069489289 /nfs/dbraw/zinc/48/92/89/1069489289.db2.gz AFUZWEBRGFPEAG-HXUWFJFHSA-N 1 1 456.591 3.849 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306732955 1069491669 /nfs/dbraw/zinc/49/16/69/1069491669.db2.gz XAIFDTMIIQPNPL-PMACEKPBSA-N 1 1 473.593 3.650 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001306733306 1069492772 /nfs/dbraw/zinc/49/27/72/1069492772.db2.gz NHTBBNXYJXJGIW-MQSCRBSSSA-N 1 1 482.673 3.817 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001306733684 1069494444 /nfs/dbraw/zinc/49/44/44/1069494444.db2.gz RLUYCTYKXGTYNG-TZBSWOFLSA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001306733684 1069494451 /nfs/dbraw/zinc/49/44/51/1069494451.db2.gz RLUYCTYKXGTYNG-TZBSWOFLSA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001306735728 1069500843 /nfs/dbraw/zinc/50/08/43/1069500843.db2.gz RQEJEIBRSAAPSB-GGAORHGYSA-N 1 1 488.721 3.643 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001306735728 1069500850 /nfs/dbraw/zinc/50/08/50/1069500850.db2.gz RQEJEIBRSAAPSB-GGAORHGYSA-N 1 1 488.721 3.643 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001306741078 1069516147 /nfs/dbraw/zinc/51/61/47/1069516147.db2.gz ZAVQDTIZGHSMBA-VQTJNVASSA-N 1 1 456.610 3.701 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306743544 1069522754 /nfs/dbraw/zinc/52/27/54/1069522754.db2.gz JSOXZCGIESRELL-PKTZIBPZSA-N 1 1 495.716 3.907 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306745172 1069527240 /nfs/dbraw/zinc/52/72/40/1069527240.db2.gz NJBJHQLWFLCULX-OAQYLSRUSA-N 1 1 482.673 3.818 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001306745553 1069528626 /nfs/dbraw/zinc/52/86/26/1069528626.db2.gz RCVSQDJCTPHKKB-FQEVSTJZSA-N 1 1 456.610 3.701 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306746458 1069530722 /nfs/dbraw/zinc/53/07/22/1069530722.db2.gz NVRXEYUPSGHADL-OYRHEFFESA-N 1 1 490.737 3.887 20 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COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](Cc4nc(C)cs4)C3)C2)cc(OC)c1 ZINC001312238342 1069799917 /nfs/dbraw/zinc/79/99/17/1069799917.db2.gz YOBCUSDYTFXABV-QUCCMNQESA-N 1 1 458.628 3.707 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCC[C@H](Cc4nc(C)cs4)C3)C2)cc(OC)c1 ZINC001312238342 1069799930 /nfs/dbraw/zinc/79/99/30/1069799930.db2.gz YOBCUSDYTFXABV-QUCCMNQESA-N 1 1 458.628 3.707 20 0 JHADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CCC[NH+]2CCOCC2)cc1 ZINC001314201767 1069797730 /nfs/dbraw/zinc/79/77/30/1069797730.db2.gz OGDIOSXJQQOBRY-FQEVSTJZSA-N 1 1 457.619 3.918 20 0 JHADMO CCOc1cccc(CCn2c(C(=O)NC(CC)CC)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC001314201749 1069797762 /nfs/dbraw/zinc/79/77/62/1069797762.db2.gz WLGPJVIBIIBKOL-JOCHJYFZSA-N 1 1 468.646 3.512 20 0 JHADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@H](OC)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001314202821 1069804664 /nfs/dbraw/zinc/80/46/64/1069804664.db2.gz VHQQDKNBVXJLIG-SXWKCWPCSA-N 1 1 457.619 3.774 20 0 JHADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC001312247373 1069805749 /nfs/dbraw/zinc/80/57/49/1069805749.db2.gz IQQMXJCFHIXQTC-RDJZCZTQSA-N 1 1 459.944 3.706 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001307052414 1069808107 /nfs/dbraw/zinc/80/81/07/1069808107.db2.gz ABYLZVYCQMFLAQ-JOCHJYFZSA-N 1 1 456.610 3.768 20 0 JHADMO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001307052357 1069808294 /nfs/dbraw/zinc/80/82/94/1069808294.db2.gz YGRNFQUCSOQSHX-QFIPXVFZSA-N 1 1 451.619 3.855 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001307053255 1069812438 /nfs/dbraw/zinc/81/24/38/1069812438.db2.gz CEOMZSRLVMFXEU-QFIPXVFZSA-N 1 1 481.645 3.905 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053705 1069813888 /nfs/dbraw/zinc/81/38/88/1069813888.db2.gz JNFGRVUGJRLBJV-XXBNENTESA-N 1 1 486.636 3.927 20 0 JHADMO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266528 1069823674 /nfs/dbraw/zinc/82/36/74/1069823674.db2.gz RWBNHJSSQFAOFP-UWJYYQICSA-N 1 1 451.453 3.785 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307055284 1069820899 /nfs/dbraw/zinc/82/08/99/1069820899.db2.gz OZKFCMFAWAYTGT-OALUTQOASA-N 1 1 489.462 3.592 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056116 1069824696 /nfs/dbraw/zinc/82/46/96/1069824696.db2.gz BWNIJLGONKLOFM-JTHBVZDNSA-N 1 1 468.646 3.820 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001307056155 1069824983 /nfs/dbraw/zinc/82/49/83/1069824983.db2.gz CHVIVPCMNQOVER-HSZRJFAPSA-N 1 1 498.720 3.511 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001307056440 1069827542 /nfs/dbraw/zinc/82/75/42/1069827542.db2.gz SWIOSIIBDSYTTP-JIPXPUAJSA-N 1 1 498.672 3.579 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 ZINC001307056678 1069829157 /nfs/dbraw/zinc/82/91/57/1069829157.db2.gz WDRHNBVTDOSYHK-NVXWUHKLSA-N 1 1 451.413 3.525 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056834 1069829571 /nfs/dbraw/zinc/82/95/71/1069829571.db2.gz CJCAGKGTTUCJSQ-YADHBBJMSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)C(=O)C1 ZINC001307057310 1069833367 /nfs/dbraw/zinc/83/33/67/1069833367.db2.gz DXCLGHYCQXIZKS-QHCPKHFHSA-N 1 1 482.673 3.797 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057022 1069832422 /nfs/dbraw/zinc/83/24/22/1069832422.db2.gz USSUGHWHNPZOPH-QFIPXVFZSA-N 1 1 468.646 3.700 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001307057943 1069836890 /nfs/dbraw/zinc/83/68/90/1069836890.db2.gz HGFPHRIZXCVMMZ-JOCHJYFZSA-N 1 1 472.703 3.890 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001307058114 1069836982 /nfs/dbraw/zinc/83/69/82/1069836982.db2.gz IKCHQDVHDNKIRT-QHCPKHFHSA-N 1 1 494.750 3.526 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001307058113 1069837498 /nfs/dbraw/zinc/83/74/98/1069837498.db2.gz IKCHQDVHDNKIRT-HSZRJFAPSA-N 1 1 494.750 3.526 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1C ZINC001307058782 1069840215 /nfs/dbraw/zinc/84/02/15/1069840215.db2.gz OEHJHTTXZHSSQD-NRFANRHFSA-N 1 1 456.664 3.577 20 0 JHADMO CCOc1ccccc1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001314214396 1069843535 /nfs/dbraw/zinc/84/35/35/1069843535.db2.gz WZLPIBUFHCJSNK-UHFFFAOYSA-N 1 1 465.646 3.702 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001307059304 1069844080 /nfs/dbraw/zinc/84/40/80/1069844080.db2.gz RNQOKXSZPQOTBR-PMACEKPBSA-N 1 1 484.611 3.780 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001307059256 1069844448 /nfs/dbraw/zinc/84/44/48/1069844448.db2.gz VECOYWRWGUIQQJ-RTWAWAEBSA-N 1 1 474.650 3.617 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001307059277 1069844748 /nfs/dbraw/zinc/84/47/48/1069844748.db2.gz VRLFGJSQVOZURU-OAQYLSRUSA-N 1 1 457.667 3.750 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001307059426 1069844868 /nfs/dbraw/zinc/84/48/68/1069844868.db2.gz WREVTLJWPULRHW-HKUYNNGSSA-N 1 1 452.441 3.926 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001307061376 1069852163 /nfs/dbraw/zinc/85/21/63/1069852163.db2.gz GGMVNRFBRUJUMC-IBGZPJMESA-N 1 1 477.650 3.752 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307060580 1069849673 /nfs/dbraw/zinc/84/96/73/1069849673.db2.gz AOVCRSKACJAERA-NHCUHLMSSA-N 1 1 469.634 3.708 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001307061377 1069852257 /nfs/dbraw/zinc/85/22/57/1069852257.db2.gz GGMVNRFBRUJUMC-LJQANCHMSA-N 1 1 477.650 3.752 20 0 JHADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC001312311388 1069854849 /nfs/dbraw/zinc/85/48/49/1069854849.db2.gz UKTCJJHSIODBNT-HSZRJFAPSA-N 1 1 452.574 3.875 20 0 JHADMO 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 ZINC001312313585 1069856016 /nfs/dbraw/zinc/85/60/16/1069856016.db2.gz FLTDHHDMCGBJJK-SQNIBIBYSA-N 1 1 450.986 3.880 20 0 JHADMO C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)C[N@H+]1Cc1ccccc1 ZINC001312315467 1069858261 /nfs/dbraw/zinc/85/82/61/1069858261.db2.gz WEPRRLNGULEHJH-ZILOHOTNSA-N 1 1 452.574 3.873 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC(C)(OC)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314218547 1069858919 /nfs/dbraw/zinc/85/89/19/1069858919.db2.gz SFRNJFMLRQJHGM-UXHICEINSA-N 1 1 457.619 3.601 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC1=CCCOC1 ZINC001314218586 1069858953 /nfs/dbraw/zinc/85/89/53/1069858953.db2.gz UUJPXJGHJGPRFM-PMACEKPBSA-N 1 1 455.603 3.521 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001314218622 1069859780 /nfs/dbraw/zinc/85/97/80/1069859780.db2.gz VGCBOCPLAGHLDH-RBUKOAKNSA-N 1 1 457.619 3.742 20 0 JHADMO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](C)C2CCCCC2)CC1=O ZINC001307062695 1069860117 /nfs/dbraw/zinc/86/01/17/1069860117.db2.gz UKSBAZQULKGTQK-UHFFFAOYSA-N 1 1 468.646 3.667 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC=C(C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314219414 1069862430 /nfs/dbraw/zinc/86/24/30/1069862430.db2.gz YORJYIQYAKPRLJ-UHFFFAOYSA-N 1 1 455.603 3.523 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC=C(C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001314219414 1069862465 /nfs/dbraw/zinc/86/24/65/1069862465.db2.gz YORJYIQYAKPRLJ-UHFFFAOYSA-N 1 1 455.603 3.523 20 0 JHADMO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001307063803 1069864002 /nfs/dbraw/zinc/86/40/02/1069864002.db2.gz DXTJUWZHGJERCA-OAQYLSRUSA-N 1 1 468.646 3.523 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001314222418 1069876122 /nfs/dbraw/zinc/87/61/22/1069876122.db2.gz KKVQOFNOFCUXGY-BHDDXSALSA-N 1 1 471.646 3.847 20 0 JHADMO COC[C@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 ZINC001312352410 1069880881 /nfs/dbraw/zinc/88/08/81/1069880881.db2.gz ULCDSHNFRPONGL-NRFANRHFSA-N 1 1 451.398 3.802 20 0 JHADMO COC[C@@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 ZINC001312352411 1069881019 /nfs/dbraw/zinc/88/10/19/1069881019.db2.gz ULCDSHNFRPONGL-OAQYLSRUSA-N 1 1 451.398 3.802 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001307067999 1069878990 /nfs/dbraw/zinc/87/89/90/1069878990.db2.gz NVOQXEUUJOMAAR-QFIPXVFZSA-N 1 1 469.630 3.884 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 ZINC001307070256 1069885547 /nfs/dbraw/zinc/88/55/47/1069885547.db2.gz ZUROPHKPKGPBCW-SFTDATJTSA-N 1 1 457.619 3.745 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCC(C)(F)F ZINC001314225110 1069889451 /nfs/dbraw/zinc/88/94/51/1069889451.db2.gz JJDQHNFNLUYRQO-LJQANCHMSA-N 1 1 493.599 3.991 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC(C)(C)COC ZINC001314225611 1069891586 /nfs/dbraw/zinc/89/15/86/1069891586.db2.gz MZSXKWKVVAMHQR-FQEVSTJZSA-N 1 1 457.619 3.603 20 0 JHADMO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001312379214 1069897108 /nfs/dbraw/zinc/89/71/08/1069897108.db2.gz BQBQSROVGJPSDP-HKUYNNGSSA-N 1 1 455.521 3.814 20 0 JHADMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001312401272 1069911286 /nfs/dbraw/zinc/91/12/86/1069911286.db2.gz QAPVVRFSOUSWQG-MISYRCLQSA-N 1 1 456.537 3.765 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314229372 1069911929 /nfs/dbraw/zinc/91/19/29/1069911929.db2.gz TXBOGIIEVJQTCL-FQEVSTJZSA-N 1 1 457.619 3.603 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314229512 1069912390 /nfs/dbraw/zinc/91/23/90/1069912390.db2.gz USKCIBQIRAGGBJ-UXHICEINSA-N 1 1 489.686 3.697 20 0 JHADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312412278 1069917947 /nfs/dbraw/zinc/91/79/47/1069917947.db2.gz KMMVAAFMZPFUQS-ABSDTBQOSA-N 1 1 454.974 3.782 20 0 JHADMO CC(C)CC(=O)N1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001312416298 1069921491 /nfs/dbraw/zinc/92/14/91/1069921491.db2.gz WCHPHAWTYVIGMZ-GCJKJVERSA-N 1 1 453.002 3.762 20 0 JHADMO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC001312439523 1069937551 /nfs/dbraw/zinc/93/75/51/1069937551.db2.gz GVLPERDCMBXVIZ-CGCCFITBSA-N 1 1 453.530 3.847 20 0 JHADMO 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CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001312671041 1070072731 /nfs/dbraw/zinc/07/27/31/1070072731.db2.gz LOLKSNNPKHDPBR-SWHJIRTISA-N 1 1 455.624 3.705 20 0 JHADMO 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 1070075728 /nfs/dbraw/zinc/07/57/28/1070075728.db2.gz HEUQZZAUAQCHIU-ACIOBRDBSA-N 1 1 459.631 3.758 20 0 JHADMO CCC[N@@H+](C)[C@H](CNC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001312674472 1070075887 /nfs/dbraw/zinc/07/58/87/1070075887.db2.gz HPQRQBFXFJMCEY-LJQANCHMSA-N 1 1 451.011 3.985 20 0 JHADMO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001307610213 1070081053 /nfs/dbraw/zinc/08/10/53/1070081053.db2.gz HXFLPBCLHWFZQL-HXUWFJFHSA-N 1 1 457.640 3.606 20 0 JHADMO CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(F)(F)Br ZINC001314301331 1070084713 /nfs/dbraw/zinc/08/47/13/1070084713.db2.gz MTOPANOERCZRMW-MRXNPFEDSA-N 1 1 458.351 3.513 20 0 JHADMO 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CCOCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314330563 1070122310 /nfs/dbraw/zinc/12/23/10/1070122310.db2.gz BVVKAUWQQXTKQF-UHFFFAOYSA-N 1 1 490.052 3.593 20 0 JHADMO 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 1070128375 /nfs/dbraw/zinc/12/83/75/1070128375.db2.gz XCSKUJJWAMUYGZ-BRWVUGGUSA-N 1 1 452.562 3.842 20 0 JHADMO CCOCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCCn1cc[nH+]c1C ZINC001314335465 1070130249 /nfs/dbraw/zinc/13/02/49/1070130249.db2.gz KXEXNMBNLONAIK-UHFFFAOYSA-N 1 1 454.419 3.731 20 0 JHADMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700170 1070134270 /nfs/dbraw/zinc/13/42/70/1070134270.db2.gz ZRPKSFLIGNDYCD-SJLPKXTDSA-N 1 1 453.530 3.893 20 0 JHADMO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1)CC1CC1 ZINC001312810748 1070135613 /nfs/dbraw/zinc/13/56/13/1070135613.db2.gz OYCQMSHIJHEFQX-JXFKEZNVSA-N 1 1 453.674 3.899 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC001307707752 1070137770 /nfs/dbraw/zinc/13/77/70/1070137770.db2.gz KDERTWXGCCLIJD-UNMCSNQZSA-N 1 1 455.647 3.835 20 0 JHADMO CCOCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001314341061 1070140185 /nfs/dbraw/zinc/14/01/85/1070140185.db2.gz FKHXOEWVFCJGFJ-NBGIEHNGSA-N 1 1 459.635 3.796 20 0 JHADMO CCOCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314340687 1070138546 /nfs/dbraw/zinc/13/85/46/1070138546.db2.gz CJSJFSVBXYXRDS-MOPGFXCFSA-N 1 1 474.616 3.646 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001314342174 1070142551 /nfs/dbraw/zinc/14/25/51/1070142551.db2.gz QCGCHPHVUBAJAA-ZJSXRUAMSA-N 1 1 455.647 3.978 20 0 JHADMO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001312825082 1070143671 /nfs/dbraw/zinc/14/36/71/1070143671.db2.gz OFDWZZVTQVKXRP-NHCUHLMSSA-N 1 1 456.660 3.778 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccc(C)cc1C ZINC001314343176 1070145800 /nfs/dbraw/zinc/14/58/00/1070145800.db2.gz WNWLZEFQZHCNMX-ZRZAMGCNSA-N 1 1 469.674 4.000 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314343986 1070147352 /nfs/dbraw/zinc/14/73/52/1070147352.db2.gz NPTDRQYPRJUTTO-VQTJNVASSA-N 1 1 464.655 3.525 20 0 JHADMO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838483 1070147949 /nfs/dbraw/zinc/14/79/49/1070147949.db2.gz FUZRVLHLAWNUQY-IQFVJIFQSA-N 1 1 453.558 3.825 20 0 JHADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC001307724316 1070148675 /nfs/dbraw/zinc/14/86/75/1070148675.db2.gz GQHZELXPNMPOME-MSOLQXFVSA-N 1 1 455.555 3.921 20 0 JHADMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC001307724316 1070148677 /nfs/dbraw/zinc/14/86/77/1070148677.db2.gz GQHZELXPNMPOME-MSOLQXFVSA-N 1 1 455.555 3.921 20 0 JHADMO O=C(C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 ZINC001307726139 1070151464 /nfs/dbraw/zinc/15/14/64/1070151464.db2.gz SSUYQZAZIDSYMV-QRWLVFNGSA-N 1 1 455.908 3.625 20 0 JHADMO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001312842364 1070151419 /nfs/dbraw/zinc/15/14/19/1070151419.db2.gz ZUPSZPOGQXNKFA-XPWALMASSA-N 1 1 456.631 3.858 20 0 JHADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001307732251 1070156111 /nfs/dbraw/zinc/15/61/11/1070156111.db2.gz BRKFCFBHVIZTON-FUPPJEDESA-N 1 1 457.615 3.938 20 0 JHADMO CCOCc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001314348790 1070160672 /nfs/dbraw/zinc/16/06/72/1070160672.db2.gz HXVNOSBRRIWEKQ-CJFMBICVSA-N 1 1 459.610 3.564 20 0 JHADMO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001307743851 1070162331 /nfs/dbraw/zinc/16/23/31/1070162331.db2.gz DQZXVTBZBGATQV-CQSZACIVSA-N 1 1 453.436 3.865 20 0 JHADMO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881609 1070164716 /nfs/dbraw/zinc/16/47/16/1070164716.db2.gz RSAUJBUZLAQGEQ-DRLORSAXSA-N 1 1 456.631 3.987 20 0 JHADMO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001312881612 1070164756 /nfs/dbraw/zinc/16/47/56/1070164756.db2.gz RSAUJBUZLAQGEQ-XLGIIRLISA-N 1 1 456.631 3.987 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001312886806 1070168044 /nfs/dbraw/zinc/16/80/44/1070168044.db2.gz UGAFOOUMGUQJGH-SSGKUCQKSA-N 1 1 457.640 3.883 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC001307774057 1070177655 /nfs/dbraw/zinc/17/76/55/1070177655.db2.gz OLXNAHMUURGCTK-VWNXMTODSA-N 1 1 472.630 3.620 20 0 JHADMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001307770737 1070176126 /nfs/dbraw/zinc/17/61/26/1070176126.db2.gz ZIMOUINIVOUWGF-RTBURBONSA-N 1 1 451.386 3.932 20 0 JHADMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772795 1070177066 /nfs/dbraw/zinc/17/70/66/1070177066.db2.gz IKLDHQLLNNWNCK-MOPGFXCFSA-N 1 1 459.587 3.771 20 0 JHADMO CCOCc1nnc(N2CC[C@H](OCc3cccc(OC)c3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314353137 1070173106 /nfs/dbraw/zinc/17/31/06/1070173106.db2.gz VKDDIQDKFZQBGF-XZOQPEGZSA-N 1 1 471.646 3.739 20 0 JHADMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC001307774214 1070178696 /nfs/dbraw/zinc/17/86/96/1070178696.db2.gz SOGNGNWAPBCGED-YPAWHYETSA-N 1 1 456.631 3.983 20 0 JHADMO CCOCc1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001314358845 1070181444 /nfs/dbraw/zinc/18/14/44/1070181444.db2.gz OPZAGSJINCCHDJ-CTNGQTDRSA-N 1 1 476.666 3.525 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](C[C@@H](O)c3cc(Br)no3)C2)C1 ZINC001307796316 1070185367 /nfs/dbraw/zinc/18/53/67/1070185367.db2.gz GFSMFONEWKZBMZ-HRCADAONSA-N 1 1 458.397 3.830 20 0 JHADMO 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CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001314595204 1070635064 /nfs/dbraw/zinc/63/50/64/1070635064.db2.gz LYCUBGAZRKGZAB-MDNUFGMLSA-N 1 1 472.703 3.875 20 0 JHADMO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314595509 1070635680 /nfs/dbraw/zinc/63/56/80/1070635680.db2.gz DTXPZFJYOSPDKE-HBMCJLEFSA-N 1 1 492.734 3.514 20 0 JHADMO CCS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314595509 1070635687 /nfs/dbraw/zinc/63/56/87/1070635687.db2.gz DTXPZFJYOSPDKE-HBMCJLEFSA-N 1 1 492.734 3.514 20 0 JHADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3cccnc3)n2CCn2cc[nH+]c2C)CC1 ZINC001313543622 1070641927 /nfs/dbraw/zinc/64/19/27/1070641927.db2.gz INRIGXBWPMNNOC-UHFFFAOYSA-N 1 1 494.644 3.695 20 0 JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313545459 1070650919 /nfs/dbraw/zinc/65/09/19/1070650919.db2.gz KJQLTURWEVWUOH-HBMCJLEFSA-N 1 1 490.693 3.738 20 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CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@H](C)Oc2ccccc2C)CC1 ZINC001313642874 1070791256 /nfs/dbraw/zinc/79/12/56/1070791256.db2.gz CRBOAMKBOUHYTQ-QFIPXVFZSA-N 1 1 470.662 3.558 20 0 JHADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(CC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001313641397 1070787169 /nfs/dbraw/zinc/78/71/69/1070787169.db2.gz YCLKWOCNNHBCLH-OZXSUGGESA-N 1 1 487.714 3.553 20 0 JHADMO C[C@H]1CSC[C@@H]1NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486740 1070802217 /nfs/dbraw/zinc/80/22/17/1070802217.db2.gz WGTAZBHLOSBVRC-IRNNPGBSSA-N 1 1 451.057 3.979 20 0 JHADMO CN(CC(C)(C)C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314669350 1070807646 /nfs/dbraw/zinc/80/76/46/1070807646.db2.gz CBXWNUOBECFLPV-UHFFFAOYSA-N 1 1 494.526 3.802 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314671625 1070815008 /nfs/dbraw/zinc/81/50/08/1070815008.db2.gz NGMAVOPYIFULJD-DHIUTWEWSA-N 1 1 492.753 3.722 20 0 JHADMO CN(c1nnc(-c2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314682238 1070836433 /nfs/dbraw/zinc/83/64/33/1070836433.db2.gz NZUSOLIDRXASQV-UHFFFAOYSA-N 1 1 498.672 3.892 20 0 JHADMO CN(c1nnc(-c2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314682238 1070836464 /nfs/dbraw/zinc/83/64/64/1070836464.db2.gz NZUSOLIDRXASQV-UHFFFAOYSA-N 1 1 498.672 3.892 20 0 JHADMO Cc1n[nH]c(C)c1[C@@H](C)NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309569664 1070864410 /nfs/dbraw/zinc/86/44/10/1070864410.db2.gz BYEOMZNEMOPGRZ-YFXJRYMSSA-N 1 1 456.587 3.814 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314694745 1070857350 /nfs/dbraw/zinc/85/73/50/1070857350.db2.gz UZUHHSXBDJODDR-QHCPKHFHSA-N 1 1 466.674 3.884 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314707195 1070877834 /nfs/dbraw/zinc/87/78/34/1070877834.db2.gz LVUAKGRIIUDGBM-UHFFFAOYSA-N 1 1 484.689 3.704 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001314708501 1070882595 /nfs/dbraw/zinc/88/25/95/1070882595.db2.gz PBVFMWRIOGBLII-IFMALSPDSA-N 1 1 476.710 3.812 20 0 JHADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001309646413 1070900324 /nfs/dbraw/zinc/90/03/24/1070900324.db2.gz HFJQNTMWKJHOGZ-ODUWVKTISA-N 1 1 473.542 3.894 20 0 JHADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001309646413 1070900334 /nfs/dbraw/zinc/90/03/34/1070900334.db2.gz HFJQNTMWKJHOGZ-ODUWVKTISA-N 1 1 473.542 3.894 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)(C)C ZINC001314713100 1070900512 /nfs/dbraw/zinc/90/05/12/1070900512.db2.gz DDTQBVCNXBSYIV-UHFFFAOYSA-N 1 1 496.656 3.648 20 0 JHADMO CCCCCOc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309650655 1070902243 /nfs/dbraw/zinc/90/22/43/1070902243.db2.gz WGPUIDOXAZDGOP-DQEYMECFSA-N 1 1 458.624 3.920 20 0 JHADMO CCCCCOc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001309650655 1070902260 /nfs/dbraw/zinc/90/22/60/1070902260.db2.gz WGPUIDOXAZDGOP-DQEYMECFSA-N 1 1 458.624 3.920 20 0 JHADMO CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001314720801 1070916695 /nfs/dbraw/zinc/91/66/95/1070916695.db2.gz VYWOJKAFHOZXFZ-VQTJNVASSA-N 1 1 467.536 3.809 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccco1 ZINC001313677408 1070925065 /nfs/dbraw/zinc/92/50/65/1070925065.db2.gz KCHIYZDNTIUIDN-ZWKOTPCHSA-N 1 1 483.535 3.806 20 0 JHADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001314724866 1070926949 /nfs/dbraw/zinc/92/69/49/1070926949.db2.gz UAZMLPIBCZANHY-HXUWFJFHSA-N 1 1 478.563 3.938 20 0 JHADMO CCN(CC)c1ccc(Cn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)cn1 ZINC001313679753 1070936171 /nfs/dbraw/zinc/93/61/71/1070936171.db2.gz SNINYXYAEJJKJX-UHFFFAOYSA-N 1 1 496.748 3.860 20 0 JHADMO CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313682580 1070943517 /nfs/dbraw/zinc/94/35/17/1070943517.db2.gz OVKSRYNZYVSTRS-IBGZPJMESA-N 1 1 495.441 3.636 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314743257 1070983831 /nfs/dbraw/zinc/98/38/31/1070983831.db2.gz KLFQXMCZCURTQG-UHFFFAOYSA-N 1 1 472.540 3.689 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314743257 1070983845 /nfs/dbraw/zinc/98/38/45/1070983845.db2.gz KLFQXMCZCURTQG-UHFFFAOYSA-N 1 1 472.540 3.689 20 0 JHADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)CC1 ZINC001314749084 1070998889 /nfs/dbraw/zinc/99/88/89/1070998889.db2.gz MFNABVLXEMDXSU-UHFFFAOYSA-N 1 1 474.600 3.794 20 0 JHADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314762017 1071019029 /nfs/dbraw/zinc/01/90/29/1071019029.db2.gz CQJYBSPHYZALQP-GOSISDBHSA-N 1 1 478.567 3.793 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001313726901 1071035587 /nfs/dbraw/zinc/03/55/87/1071035587.db2.gz SRKXAFOZNQJDKY-SFHVURJKSA-N 1 1 460.573 3.551 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(I)cc2C)[C@H](C)C1 ZINC001309977807 1071036185 /nfs/dbraw/zinc/03/61/85/1071036185.db2.gz HNMRRCCQIXHIGR-QAPCUYQASA-N 1 1 459.372 3.858 20 0 JHADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001309991671 1071041883 /nfs/dbraw/zinc/04/18/83/1071041883.db2.gz XKISDFCXZKDMSB-AUSIDOKSSA-N 1 1 456.612 3.850 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001313729887 1071043154 /nfs/dbraw/zinc/04/31/54/1071043154.db2.gz DFXWZSVWUXOOCS-MOPGFXCFSA-N 1 1 474.600 3.826 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313731849 1071048007 /nfs/dbraw/zinc/04/80/07/1071048007.db2.gz WITNDPSOTURCTQ-KGVIQGDOSA-N 1 1 474.600 3.902 20 0 JHADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309994752 1071044325 /nfs/dbraw/zinc/04/43/25/1071044325.db2.gz GFQIEBXKBLVUKC-GOSISDBHSA-N 1 1 457.040 3.853 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313730429 1071044551 /nfs/dbraw/zinc/04/45/51/1071044551.db2.gz YCNLYUKVAYFBKN-QGZVFWFLSA-N 1 1 483.082 3.515 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313731430 1071046977 /nfs/dbraw/zinc/04/69/77/1071046977.db2.gz LQRJZMWCQYHHSG-ROUUACIJSA-N 1 1 468.067 3.882 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001313731304 1071047132 /nfs/dbraw/zinc/04/71/32/1071047132.db2.gz QMVNWRKGBARMDR-XMSQKQJNSA-N 1 1 463.573 3.671 20 0 JHADMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1 ZINC001310001934 1071050822 /nfs/dbraw/zinc/05/08/22/1071050822.db2.gz KUMCHKYZUPMTBJ-UHFFFAOYSA-N 1 1 458.628 3.676 20 0 JHADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CC[NH+](CCOC(C)C)CC3)cc2)cc1 ZINC001310005609 1071053077 /nfs/dbraw/zinc/05/30/77/1071053077.db2.gz ORCPKSXAYBIDBQ-UHFFFAOYSA-N 1 1 454.571 3.912 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313734455 1071054260 /nfs/dbraw/zinc/05/42/60/1071054260.db2.gz RHWFVEGXBKJYAN-UPVQGACJSA-N 1 1 482.673 3.631 20 0 JHADMO CN(C[C@@H]1CC=CCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314790601 1071068196 /nfs/dbraw/zinc/06/81/96/1071068196.db2.gz PLHAUOHNKWLROE-WOJBJXKFSA-N 1 1 459.585 3.786 20 0 JHADMO CN(C)S(=O)(=O)c1ccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc1 ZINC001310038934 1071077879 /nfs/dbraw/zinc/07/78/79/1071077879.db2.gz OJXRMGTZJUHZCZ-UHFFFAOYSA-N 1 1 458.628 3.893 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313751767 1071087620 /nfs/dbraw/zinc/08/76/20/1071087620.db2.gz SHRJKMHZGOPLID-SFHVURJKSA-N 1 1 457.026 3.874 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001313754274 1071093119 /nfs/dbraw/zinc/09/31/19/1071093119.db2.gz XYLAKXSCGIJQHB-IBGZPJMESA-N 1 1 489.466 3.916 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313755929 1071097012 /nfs/dbraw/zinc/09/70/12/1071097012.db2.gz SSIUABCMOWZEQO-BGYRXZFFSA-N 1 1 483.636 3.656 20 0 JHADMO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1S(=O)(=O)N1CCCCCC1 ZINC001310072171 1071097765 /nfs/dbraw/zinc/09/77/65/1071097765.db2.gz LOJMBAGIJMSJGC-OAQYLSRUSA-N 1 1 450.649 3.898 20 0 JHADMO 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 1071110698 /nfs/dbraw/zinc/11/06/98/1071110698.db2.gz DVSTWQKFQFPTKW-ZIEJVCCYSA-N 1 1 490.693 3.784 20 0 JHADMO CCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001313764309 1071111687 /nfs/dbraw/zinc/11/16/87/1071111687.db2.gz MFTJLVQWKFCWTB-BHIFYINESA-N 1 1 490.693 3.642 20 0 JHADMO CCN(CC1CCC1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001313766141 1071114064 /nfs/dbraw/zinc/11/40/64/1071114064.db2.gz HQNBZMXSBLHRTF-FQEVSTJZSA-N 1 1 474.053 3.563 20 0 JHADMO CN(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1 ZINC001310106117 1071121094 /nfs/dbraw/zinc/12/10/94/1071121094.db2.gz VQNJVPGLDKDZRW-PXNSSMCTSA-N 1 1 450.505 3.776 20 0 JHADMO CCOC(=O)c1cnn(-c2cccc(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)c2)c1C(F)(F)F ZINC001310118989 1071132450 /nfs/dbraw/zinc/13/24/50/1071132450.db2.gz WXKBNRBWTYMFIW-AWEZNQCLSA-N 1 1 455.481 3.920 20 0 JHADMO COc1cc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)ccc1NC(C)=O ZINC001310134948 1071144825 /nfs/dbraw/zinc/14/48/25/1071144825.db2.gz CPUWWKIWXJHGOM-UHFFFAOYSA-N 1 1 451.527 3.585 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc(Cn2nc(C)cc2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313781490 1071146320 /nfs/dbraw/zinc/14/63/20/1071146320.db2.gz CJPBJIQXSOOWFT-MZKRTTBSSA-N 1 1 457.667 3.513 20 0 JHADMO 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CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001313786695 1071165663 /nfs/dbraw/zinc/16/56/63/1071165663.db2.gz VEBMDUYWPRLWHO-SFTDATJTSA-N 1 1 498.672 3.593 20 0 JHADMO CCN(CCc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313789146 1071178254 /nfs/dbraw/zinc/17/82/54/1071178254.db2.gz IDMYZQPCIBFIMT-MRXNPFEDSA-N 1 1 493.475 3.887 20 0 JHADMO O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001310175105 1071179877 /nfs/dbraw/zinc/17/98/77/1071179877.db2.gz UHTNVUWUYSMVPT-VWLOTQADSA-N 1 1 453.583 3.579 20 0 JHADMO COc1cccc(-c2noc([C@H](C)NC(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)n2)c1 ZINC001310174553 1071179973 /nfs/dbraw/zinc/17/99/73/1071179973.db2.gz NKHRXEUOOIPIPW-KRWDZBQOSA-N 1 1 451.527 3.503 20 0 JHADMO CCN(C[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)C1)CC(F)(F)F ZINC001313788592 1071176080 /nfs/dbraw/zinc/17/60/80/1071176080.db2.gz UTRXJNQPJVTVPK-ROUUACIJSA-N 1 1 453.557 3.886 20 0 JHADMO CC[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310171093 1071177717 /nfs/dbraw/zinc/17/77/17/1071177717.db2.gz YDHYEONWMYDQRN-GGAORHGYSA-N 1 1 454.546 3.754 20 0 JHADMO CC[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310171093 1071177720 /nfs/dbraw/zinc/17/77/20/1071177720.db2.gz YDHYEONWMYDQRN-GGAORHGYSA-N 1 1 454.546 3.754 20 0 JHADMO CN(CCCCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314844440 1071198358 /nfs/dbraw/zinc/19/83/58/1071198358.db2.gz DGEVXQBVIUEXRF-HSZRJFAPSA-N 1 1 454.663 3.615 20 0 JHADMO CC[N@@H+](CCC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1)CC1CC1 ZINC001313800736 1071203951 /nfs/dbraw/zinc/20/39/51/1071203951.db2.gz UXUJUCPLQVJDQB-JOCHJYFZSA-N 1 1 479.735 3.881 20 0 JHADMO CC[N@@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)C(C)C ZINC001313801079 1071204732 /nfs/dbraw/zinc/20/47/32/1071204732.db2.gz BBSANKFMNNDMBV-PMOQBDJRSA-N 1 1 475.609 3.672 20 0 JHADMO CC[N@@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001313802593 1071208741 /nfs/dbraw/zinc/20/87/41/1071208741.db2.gz PLVDFDIIIARWMP-IRLDBZIGSA-N 1 1 470.662 3.822 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1)C(C)C ZINC001313802447 1071209073 /nfs/dbraw/zinc/20/90/73/1071209073.db2.gz GITMUEFKIVFJTG-UHFFFAOYSA-N 1 1 465.440 3.773 20 0 JHADMO O=C(NCC1(n2cc(Br)cn2)CC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC001310216410 1071213612 /nfs/dbraw/zinc/21/36/12/1071213612.db2.gz SFSOQHMOCRREJG-UHFFFAOYSA-N 1 1 450.406 3.505 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313803937 1071213562 /nfs/dbraw/zinc/21/35/62/1071213562.db2.gz YXXWKCVHZXAIDO-GASCZTMLSA-N 1 1 466.399 3.945 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)CCC(F)(F)F ZINC001313803362 1071211034 /nfs/dbraw/zinc/21/10/34/1071211034.db2.gz PQPWVLPPSJGOKD-HNNXBMFYSA-N 1 1 472.943 3.540 20 0 JHADMO 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JHADMO CCOC(=O)c1cc2cc(NC(=O)NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2s1 ZINC001310453882 1071398230 /nfs/dbraw/zinc/39/82/30/1071398230.db2.gz RWURTYSXHGOENA-HXUWFJFHSA-N 1 1 453.564 3.966 20 0 JHADMO Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Br)n1 ZINC001310453563 1071398329 /nfs/dbraw/zinc/39/83/29/1071398329.db2.gz ISGYDSCBRCICRE-IBGZPJMESA-N 1 1 458.404 3.577 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868138 1071402372 /nfs/dbraw/zinc/40/23/72/1071402372.db2.gz MKAAYVAJFQNBBX-MSOLQXFVSA-N 1 1 459.635 3.860 20 0 JHADMO CCOC(=O)Cc1nnc(NC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)s1 ZINC001310463038 1071405804 /nfs/dbraw/zinc/40/58/04/1071405804.db2.gz KWELTYKZKQCLTP-NBGIEHNGSA-N 1 1 479.606 3.824 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@@H]1C ZINC001313869796 1071410372 /nfs/dbraw/zinc/41/03/72/1071410372.db2.gz QNNVGKUBTLEFDJ-JKSUJKDBSA-N 1 1 489.418 3.809 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313868773 1071406414 /nfs/dbraw/zinc/40/64/14/1071406414.db2.gz NWOKNDZBNPIXNH-BJLQDIEVSA-N 1 1 494.482 3.878 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869965 1071411423 /nfs/dbraw/zinc/41/14/23/1071411423.db2.gz DFFGYLUZNUDYFE-VQTJNVASSA-N 1 1 499.059 3.910 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870043 1071411465 /nfs/dbraw/zinc/41/14/65/1071411465.db2.gz FBVAEWMMMXHWHH-PMACEKPBSA-N 1 1 478.645 3.781 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1C ZINC001313869423 1071408330 /nfs/dbraw/zinc/40/83/30/1071408330.db2.gz PRPDWMJEZRSAGH-ROUUACIJSA-N 1 1 454.644 3.918 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870109 1071411611 /nfs/dbraw/zinc/41/16/11/1071411611.db2.gz SCVPPFPQTDGABX-IAGOWNOFSA-N 1 1 458.598 3.734 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313870574 1071413242 /nfs/dbraw/zinc/41/32/42/1071413242.db2.gz UXQFNNNOCGTWMP-QZTJIDSGSA-N 1 1 454.644 3.804 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@@H]1C ZINC001313870399 1071413272 /nfs/dbraw/zinc/41/32/72/1071413272.db2.gz RCFYLRGYBGSDJD-RBUKOAKNSA-N 1 1 483.690 3.762 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@@H]1C ZINC001313870874 1071414956 /nfs/dbraw/zinc/41/49/56/1071414956.db2.gz ROOSLAVIIFQTHL-PMACEKPBSA-N 1 1 478.682 3.738 20 0 JHADMO CCCN1C(=O)CCc2cc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4C)CCO3)ccc21 ZINC001310473982 1071415505 /nfs/dbraw/zinc/41/55/05/1071415505.db2.gz MWEKJLSPLHPPQH-QHCPKHFHSA-N 1 1 450.583 3.707 20 0 JHADMO CCCN1C(=O)CCc2cc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4C)CCO3)ccc21 ZINC001310473982 1071415508 /nfs/dbraw/zinc/41/55/08/1071415508.db2.gz MWEKJLSPLHPPQH-QHCPKHFHSA-N 1 1 450.583 3.707 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871848 1071418210 /nfs/dbraw/zinc/41/82/10/1071418210.db2.gz UAGVGPCBOWSVMD-IKGGRYGDSA-N 1 1 478.435 3.520 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872246 1071419898 /nfs/dbraw/zinc/41/98/98/1071419898.db2.gz IXZZMCTWFZSNBQ-ROUUACIJSA-N 1 1 486.567 3.841 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313872437 1071420755 /nfs/dbraw/zinc/42/07/55/1071420755.db2.gz ANIPNLHSBOITNY-XFAGBWLFSA-N 1 1 473.618 3.884 20 0 JHADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccc(Br)c4ccccc34)CC2)CC1 ZINC001310479033 1071420929 /nfs/dbraw/zinc/42/09/29/1071420929.db2.gz JPWOQOWKQICQKT-UHFFFAOYSA-N 1 1 459.388 3.620 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313872423 1071420821 /nfs/dbraw/zinc/42/08/21/1071420821.db2.gz XHFGRAYTEGYACE-HOTGVXAUSA-N 1 1 490.425 3.742 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313872440 1071420882 /nfs/dbraw/zinc/42/08/82/1071420882.db2.gz ANIPNLHSBOITNY-YTZAWJCFSA-N 1 1 473.618 3.884 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@@H]1C ZINC001313872263 1071421126 /nfs/dbraw/zinc/42/11/26/1071421126.db2.gz VWDIXHMGVLWKCA-SFTDATJTSA-N 1 1 466.674 3.956 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313873760 1071426323 /nfs/dbraw/zinc/42/63/23/1071426323.db2.gz MCXKUQPTBRWOKW-SJORKVTESA-N 1 1 459.520 3.645 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490330 1071428564 /nfs/dbraw/zinc/42/85/64/1071428564.db2.gz NSLSNRVICALLBJ-ZCYQVOJMSA-N 1 1 455.599 3.897 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@@H]1C ZINC001313874726 1071430346 /nfs/dbraw/zinc/43/03/46/1071430346.db2.gz JUKZFYTVWITCNH-VQTJNVASSA-N 1 1 452.578 3.975 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313875175 1071431476 /nfs/dbraw/zinc/43/14/76/1071431476.db2.gz PKDJRPYPSXYURG-RTBURBONSA-N 1 1 477.600 3.509 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313875342 1071433733 /nfs/dbraw/zinc/43/37/33/1071433733.db2.gz RTTSYFDXRWOOMV-UFYCRDLUSA-N 1 1 469.634 3.659 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001313875536 1071434729 /nfs/dbraw/zinc/43/47/29/1071434729.db2.gz MOQXLLBFRFRQFE-PMACEKPBSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001313875536 1071434735 /nfs/dbraw/zinc/43/47/35/1071434735.db2.gz MOQXLLBFRFRQFE-PMACEKPBSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001313875536 1071434740 /nfs/dbraw/zinc/43/47/40/1071434740.db2.gz MOQXLLBFRFRQFE-PMACEKPBSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313875479 1071434811 /nfs/dbraw/zinc/43/48/11/1071434811.db2.gz LVSZYUYJABNHGD-FSSWDIPSSA-N 1 1 481.645 3.535 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313875535 1071434829 /nfs/dbraw/zinc/43/48/29/1071434829.db2.gz MOKMIBOKRVPTJQ-WPFOTENUSA-N 1 1 471.646 3.588 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313876000 1071436780 /nfs/dbraw/zinc/43/67/80/1071436780.db2.gz NQQOZTBMXOZYCC-LEWJYISDSA-N 1 1 464.614 3.845 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313878144 1071443731 /nfs/dbraw/zinc/44/37/31/1071443731.db2.gz VJKVCZDRFMGETE-ROUUACIJSA-N 1 1 489.546 3.567 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@H]1C ZINC001313878639 1071445331 /nfs/dbraw/zinc/44/53/31/1071445331.db2.gz WQZDMMICKHPHJX-IAGOWNOFSA-N 1 1 474.531 3.679 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001313878752 1071445811 /nfs/dbraw/zinc/44/58/11/1071445811.db2.gz VIPWJARQTQNKBT-OALUTQOASA-N 1 1 458.010 3.635 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878832 1071446044 /nfs/dbraw/zinc/44/60/44/1071446044.db2.gz ZAFVVLMYBMGSGO-MOPGFXCFSA-N 1 1 450.587 3.519 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878862 1071446805 /nfs/dbraw/zinc/44/68/05/1071446805.db2.gz ZHQLTBMQZDLTMI-IRXDYDNUSA-N 1 1 473.021 3.921 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001313879130 1071447718 /nfs/dbraw/zinc/44/77/18/1071447718.db2.gz YDGNKKNLFWXKJZ-WNGUMJTMSA-N 1 1 487.714 3.985 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001313879130 1071447723 /nfs/dbraw/zinc/44/77/23/1071447723.db2.gz YDGNKKNLFWXKJZ-WNGUMJTMSA-N 1 1 487.714 3.985 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313878846 1071445982 /nfs/dbraw/zinc/44/59/82/1071445982.db2.gz ZCKSXSILIZCYQX-IRXDYDNUSA-N 1 1 462.436 3.932 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001314967291 1071452769 /nfs/dbraw/zinc/45/27/69/1071452769.db2.gz YIUWYJUBBAUGHP-DWXRJYCRSA-N 1 1 452.647 3.688 20 0 JHADMO CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC2CC[NH+](CC)CC2)C[C@H]1C ZINC001313881977 1071456840 /nfs/dbraw/zinc/45/68/40/1071456840.db2.gz DYTZILREWLRVPG-JOCHJYFZSA-N 1 1 468.690 3.724 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001313883529 1071461995 /nfs/dbraw/zinc/46/19/95/1071461995.db2.gz IOQRUZYOCMBIRI-SQNIBIBYSA-N 1 1 484.066 3.637 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314974802 1071464065 /nfs/dbraw/zinc/46/40/65/1071464065.db2.gz UDRUKUPHTKRVIJ-HHJKRLRDSA-N 1 1 473.065 3.929 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001313884725 1071465017 /nfs/dbraw/zinc/46/50/17/1071465017.db2.gz SCGNSSOPVGXRCT-GHDARCQNSA-N 1 1 478.037 3.653 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001313885122 1071466445 /nfs/dbraw/zinc/46/64/45/1071466445.db2.gz ABWDJYLTVCYOHV-SFHVURJKSA-N 1 1 493.027 3.994 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313885135 1071466537 /nfs/dbraw/zinc/46/65/37/1071466537.db2.gz ACNNNHHBNXZUHH-OAHLLOKOSA-N 1 1 495.441 3.539 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885399 1071466624 /nfs/dbraw/zinc/46/66/24/1071466624.db2.gz OWGFONRKOCIDQQ-IPJJNNNSSA-N 1 1 459.635 3.846 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001314976039 1071466917 /nfs/dbraw/zinc/46/69/17/1071466917.db2.gz GQYWSSDGDSAXQB-UHFFFAOYSA-N 1 1 470.021 3.720 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001313885686 1071467130 /nfs/dbraw/zinc/46/71/30/1071467130.db2.gz GWFHOXFSRPHGCS-SFHVURJKSA-N 1 1 471.005 3.989 20 0 JHADMO 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 1071468071 /nfs/dbraw/zinc/46/80/71/1071468071.db2.gz QOOCVXCZASZGKR-CIEVZJJWSA-N 1 1 485.673 3.907 20 0 JHADMO 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 1071468086 /nfs/dbraw/zinc/46/80/86/1071468086.db2.gz QOOCVXCZASZGKR-XARGGIHNSA-N 1 1 485.673 3.907 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001313886926 1071471538 /nfs/dbraw/zinc/47/15/38/1071471538.db2.gz RGFXZENNZJBKJL-XEVCZEQESA-N 1 1 459.038 3.824 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)C1 ZINC001313888000 1071474967 /nfs/dbraw/zinc/47/49/67/1071474967.db2.gz ZNRATYLZITUEEU-SFHVURJKSA-N 1 1 462.436 3.912 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001313887240 1071473324 /nfs/dbraw/zinc/47/33/24/1071473324.db2.gz TZSHLOXAEBJBNA-GOSISDBHSA-N 1 1 459.038 3.683 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001313888112 1071475919 /nfs/dbraw/zinc/47/59/19/1071475919.db2.gz MHJCHIFXWKWAMG-FGZHOGPDSA-N 1 1 482.673 3.965 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnccn2)C1 ZINC001313888291 1071476922 /nfs/dbraw/zinc/47/69/22/1071476922.db2.gz BGGOBRMLKZAYFF-INIZCTEOSA-N 1 1 476.412 3.932 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)C2)C1 ZINC001313889581 1071480840 /nfs/dbraw/zinc/48/08/40/1071480840.db2.gz AVANFCGXOOUZLL-QZTJIDSGSA-N 1 1 468.593 3.580 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001314979493 1071479347 /nfs/dbraw/zinc/47/93/47/1071479347.db2.gz VZTOJLFWXZSDJT-MHZLTWQESA-N 1 1 482.673 3.558 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001313889868 1071481557 /nfs/dbraw/zinc/48/15/57/1071481557.db2.gz JVWVVDASOVOTCQ-SFHVURJKSA-N 1 1 456.616 3.609 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001313890154 1071482292 /nfs/dbraw/zinc/48/22/92/1071482292.db2.gz MMXNASLDPOAUKP-FQEVSTJZSA-N 1 1 452.647 3.643 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001313890145 1071482426 /nfs/dbraw/zinc/48/24/26/1071482426.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 1 1 491.478 3.588 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001313890145 1071482432 /nfs/dbraw/zinc/48/24/32/1071482432.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 1 1 491.478 3.588 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001313890616 1071483157 /nfs/dbraw/zinc/48/31/57/1071483157.db2.gz NJJKPKDJXMRSKH-XHSDSOJGSA-N 1 1 488.485 3.852 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001313890613 1071483219 /nfs/dbraw/zinc/48/32/19/1071483219.db2.gz NJJKPKDJXMRSKH-JYJNAYRXSA-N 1 1 488.485 3.852 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313890939 1071483986 /nfs/dbraw/zinc/48/39/86/1071483986.db2.gz QUZQVDMNYQDGKD-FCHUYYIVSA-N 1 1 498.672 3.953 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001313891846 1071485226 /nfs/dbraw/zinc/48/52/26/1071485226.db2.gz VGTDTKGDZJNACL-QGZVFWFLSA-N 1 1 491.658 3.635 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001313892362 1071486247 /nfs/dbraw/zinc/48/62/47/1071486247.db2.gz KMMTUAHLFBZOQV-GOSISDBHSA-N 1 1 472.540 3.928 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892598 1071487753 /nfs/dbraw/zinc/48/77/53/1071487753.db2.gz GGBXBIZRJXMKDT-PKOBYXMFSA-N 1 1 477.053 3.907 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313893507 1071490273 /nfs/dbraw/zinc/49/02/73/1071490273.db2.gz NVEQBHOSUXMMBQ-OEMFJLHTSA-N 1 1 482.673 3.824 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894019 1071492579 /nfs/dbraw/zinc/49/25/79/1071492579.db2.gz RVNCBQHQUYVQMC-QUCCMNQESA-N 1 1 472.609 3.523 20 0 JHADMO 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 1071492961 /nfs/dbraw/zinc/49/29/61/1071492961.db2.gz RIQJOHGDYMVURZ-BDTNDASRSA-N 1 1 498.720 3.631 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313894761 1071494040 /nfs/dbraw/zinc/49/40/40/1071494040.db2.gz XGQPVAOLZZFRGM-OXJNMPFZSA-N 1 1 478.435 3.769 20 0 JHADMO 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 1071496494 /nfs/dbraw/zinc/49/64/94/1071496494.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 1 1 488.652 3.587 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@H](COC)C2)C1 ZINC001313895555 1071497066 /nfs/dbraw/zinc/49/70/66/1071497066.db2.gz AAYNZIYDHOBIFK-FKBYEOEOSA-N 1 1 490.693 3.945 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313896167 1071499536 /nfs/dbraw/zinc/49/95/36/1071499536.db2.gz MXDJOWNHZQDWPM-MSOLQXFVSA-N 1 1 496.578 3.519 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001314987590 1071499573 /nfs/dbraw/zinc/49/95/73/1071499573.db2.gz CHIPBJZVXYVOHM-XUZZJYLKSA-N 1 1 466.674 3.652 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](COC)C1 ZINC001313896641 1071500264 /nfs/dbraw/zinc/50/02/64/1071500264.db2.gz PNFZCSLWFUKPIO-DLBZAZTESA-N 1 1 498.853 3.697 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001313897420 1071502109 /nfs/dbraw/zinc/50/21/09/1071502109.db2.gz JGKKRZDZUGAXDO-SFHLNBCPSA-N 1 1 456.660 3.962 20 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3.712 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899101 1071507387 /nfs/dbraw/zinc/50/73/87/1071507387.db2.gz GIYSYSZNOXIPNI-OALUTQOASA-N 1 1 479.572 3.903 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313899264 1071508151 /nfs/dbraw/zinc/50/81/51/1071508151.db2.gz IKHFSQHTODGJOB-QJWGWKRISA-N 1 1 457.669 3.789 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313902945 1071514321 /nfs/dbraw/zinc/51/43/21/1071514321.db2.gz JXGOLDHDEOZKLB-QHCPKHFHSA-N 1 1 482.673 3.698 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001313900602 1071509532 /nfs/dbraw/zinc/50/95/32/1071509532.db2.gz QKLIEKWXYMGHAY-PWRODBHTSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313901183 1071511091 /nfs/dbraw/zinc/51/10/91/1071511091.db2.gz RAVRWJUFZXUCFT-LJQANCHMSA-N 1 1 467.511 3.840 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001313901313 1071511208 /nfs/dbraw/zinc/51/12/08/1071511208.db2.gz GGQPOLCMENNKIH-CYBMUJFWSA-N 1 1 463.430 3.541 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313903135 1071514647 /nfs/dbraw/zinc/51/46/47/1071514647.db2.gz MGKSWCXCPCEPMI-HYBUGGRVSA-N 1 1 495.590 3.914 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903153 1071514752 /nfs/dbraw/zinc/51/47/52/1071514752.db2.gz CEHKLTDQLYUZAQ-JOCHJYFZSA-N 1 1 467.662 3.527 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902969 1071514016 /nfs/dbraw/zinc/51/40/16/1071514016.db2.gz AZPNNYLENJISDO-ZEQRLZLVSA-N 1 1 498.672 3.653 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 ZINC001313903021 1071514186 /nfs/dbraw/zinc/51/41/86/1071514186.db2.gz KKTQQUHRZFTTMH-IBGZPJMESA-N 1 1 456.591 3.529 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313903239 1071515195 /nfs/dbraw/zinc/51/51/95/1071515195.db2.gz CUARGFLDCUKTIP-QGZVFWFLSA-N 1 1 450.990 3.720 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904727 1071520071 /nfs/dbraw/zinc/52/00/71/1071520071.db2.gz LGTXXLQDSLVDHV-RTWAWAEBSA-N 1 1 457.598 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313905114 1071520399 /nfs/dbraw/zinc/52/03/99/1071520399.db2.gz NGCAVNLWSGMJHO-OAQYLSRUSA-N 1 1 489.462 3.687 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313905194 1071520442 /nfs/dbraw/zinc/52/04/42/1071520442.db2.gz NRZHCDWRIHSROM-DOTOQJQBSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313906744 1071525195 /nfs/dbraw/zinc/52/51/95/1071525195.db2.gz ZQNBKOXTHYJDCF-NRFANRHFSA-N 1 1 489.462 3.641 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313905068 1071520787 /nfs/dbraw/zinc/52/07/87/1071520787.db2.gz SQSAQHGNHXWBGI-GOTSBHOMSA-N 1 1 482.673 3.651 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001313906227 1071523586 /nfs/dbraw/zinc/52/35/86/1071523586.db2.gz VIIHABGSXASUGV-PWRODBHTSA-N 1 1 498.697 3.934 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001313906168 1071523652 /nfs/dbraw/zinc/52/36/52/1071523652.db2.gz UOVPYMZUWCSDOT-SOLBZPMBSA-N 1 1 465.440 3.534 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315002089 1071526363 /nfs/dbraw/zinc/52/63/63/1071526363.db2.gz RSCGQKJNQZDFPE-ZRZAMGCNSA-N 1 1 480.701 3.784 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 ZINC001313907311 1071527218 /nfs/dbraw/zinc/52/72/18/1071527218.db2.gz BQBCZXQUEGZIAR-PZJWPPBQSA-N 1 1 459.660 3.849 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)C1 ZINC001313909209 1071531018 /nfs/dbraw/zinc/53/10/18/1071531018.db2.gz PQDODOUXDXFDDH-INIZCTEOSA-N 1 1 495.853 3.514 20 0 JHADMO CNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315003784 1071529870 /nfs/dbraw/zinc/52/98/70/1071529870.db2.gz HZFYROBXVLQGRH-NRFANRHFSA-N 1 1 487.092 3.853 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908378 1071530204 /nfs/dbraw/zinc/53/02/04/1071530204.db2.gz NEJZCKWEOSUXMK-ICSRJNTNSA-N 1 1 486.642 3.566 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313909095 1071531999 /nfs/dbraw/zinc/53/19/99/1071531999.db2.gz MXWWYNIVFQIHDN-HSZRJFAPSA-N 1 1 475.641 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001313910638 1071536432 /nfs/dbraw/zinc/53/64/32/1071536432.db2.gz XUMYZPSSPXXIAW-QHCPKHFHSA-N 1 1 453.631 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313909340 1071532583 /nfs/dbraw/zinc/53/25/83/1071532583.db2.gz OBVSPSPXMYLVTJ-QFIPXVFZSA-N 1 1 465.650 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313909317 1071532649 /nfs/dbraw/zinc/53/26/49/1071532649.db2.gz RPOZNKDMRIENNO-GOSISDBHSA-N 1 1 480.078 3.876 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313909957 1071534093 /nfs/dbraw/zinc/53/40/93/1071534093.db2.gz IOQUVFOSGCSNIK-IBGZPJMESA-N 1 1 455.994 3.908 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001313911033 1071537091 /nfs/dbraw/zinc/53/70/91/1071537091.db2.gz YOQWNCBVYZCCEE-FQEVSTJZSA-N 1 1 459.660 3.531 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313911996 1071538998 /nfs/dbraw/zinc/53/89/98/1071538998.db2.gz GPUDZHHBJLUJNE-MOPGFXCFSA-N 1 1 498.569 3.943 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313912396 1071540144 /nfs/dbraw/zinc/54/01/44/1071540144.db2.gz IOQVAGVAUQGFTL-QGDZQMKYSA-N 1 1 477.694 3.835 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCC[N@H+]2CC)CC1=O ZINC001313913151 1071541784 /nfs/dbraw/zinc/54/17/84/1071541784.db2.gz IZNNMSRUDOKOHM-GOSISDBHSA-N 1 1 463.001 3.671 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313914696 1071548069 /nfs/dbraw/zinc/54/80/69/1071548069.db2.gz SYJNPTQFHARSET-RXVVDRJESA-N 1 1 482.570 3.955 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1=O ZINC001313913244 1071542899 /nfs/dbraw/zinc/54/28/99/1071542899.db2.gz LASSRRNDGXJXJV-IBGZPJMESA-N 1 1 459.038 3.922 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313914073 1071544442 /nfs/dbraw/zinc/54/44/42/1071544442.db2.gz QOKBIJYIIBTJPO-BJKOFHAPSA-N 1 1 455.647 3.682 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313913703 1071544485 /nfs/dbraw/zinc/54/44/85/1071544485.db2.gz LIUFQLACIDACRI-AZUAARDMSA-N 1 1 498.569 3.943 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001313915140 1071549886 /nfs/dbraw/zinc/54/98/86/1071549886.db2.gz QAMVQHXJMHCZBH-QFIPXVFZSA-N 1 1 498.672 3.917 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313915239 1071550029 /nfs/dbraw/zinc/55/00/29/1071550029.db2.gz XBIRONJWBAACBI-XMMPIXPASA-N 1 1 466.674 3.746 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1=O ZINC001313916737 1071553541 /nfs/dbraw/zinc/55/35/41/1071553541.db2.gz JRKXZMPVPGZOTC-SFHVURJKSA-N 1 1 489.462 3.559 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001315026126 1071550761 /nfs/dbraw/zinc/55/07/61/1071550761.db2.gz GIJYQNAEDZPAIQ-UHFFFAOYSA-N 1 1 496.978 3.637 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313916498 1071553140 /nfs/dbraw/zinc/55/31/40/1071553140.db2.gz YGJDZVCSDJBIHX-DENIHFKCSA-N 1 1 473.584 3.972 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919381 1071556969 /nfs/dbraw/zinc/55/69/69/1071556969.db2.gz AKFCNJMGTPOGQG-RBUKOAKNSA-N 1 1 492.510 3.699 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919516 1071557145 /nfs/dbraw/zinc/55/71/45/1071557145.db2.gz CFVCSPWFBNRKNZ-IBGZPJMESA-N 1 1 490.494 3.619 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001315029050 1071557454 /nfs/dbraw/zinc/55/74/54/1071557454.db2.gz PCZVNLNSPVFTAD-KRWDZBQOSA-N 1 1 458.676 3.721 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313920997 1071560750 /nfs/dbraw/zinc/56/07/50/1071560750.db2.gz NJDFCDYTRFCBTQ-IBGZPJMESA-N 1 1 484.670 3.686 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921868 1071562417 /nfs/dbraw/zinc/56/24/17/1071562417.db2.gz TWYKYMCHMFJLRE-UGKGYDQZSA-N 1 1 461.054 3.659 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922515 1071565181 /nfs/dbraw/zinc/56/51/81/1071565181.db2.gz WWEINVAHTKVGRZ-LJQANCHMSA-N 1 1 454.594 3.691 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313922622 1071565088 /nfs/dbraw/zinc/56/50/88/1071565088.db2.gz XGXONQOEFBDBEF-NRFANRHFSA-N 1 1 484.689 3.861 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315037415 1071570289 /nfs/dbraw/zinc/57/02/89/1071570289.db2.gz VQQPQYZABXPYFR-QGZVFWFLSA-N 1 1 478.588 3.629 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001315034705 1071566925 /nfs/dbraw/zinc/56/69/25/1071566925.db2.gz KAHSFSRTRMBAIM-MBSDFSHPSA-N 1 1 482.654 3.671 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C/C=C/c3ccccc3)CC2)CC1 ZINC001313923611 1071567433 /nfs/dbraw/zinc/56/74/33/1071567433.db2.gz RENAZEGCZOAUIT-DHZHZOJOSA-N 1 1 478.685 3.961 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313923882 1071568131 /nfs/dbraw/zinc/56/81/31/1071568131.db2.gz ACCDKUHUNRFMDP-FCHUYYIVSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313923924 1071568805 /nfs/dbraw/zinc/56/88/05/1071568805.db2.gz BBEMCZAZJKPIDN-CTNGQTDRSA-N 1 1 458.651 3.656 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924359 1071569574 /nfs/dbraw/zinc/56/95/74/1071569574.db2.gz DHSYXURHIQKXRW-LJQANCHMSA-N 1 1 498.473 3.765 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925206 1071572592 /nfs/dbraw/zinc/57/25/92/1071572592.db2.gz MUOASVZMIZSAMQ-RBUKOAKNSA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927091 1071578705 /nfs/dbraw/zinc/57/87/05/1071578705.db2.gz ZYXCXLOBJJTDMN-HNNXBMFYSA-N 1 1 453.418 3.772 20 0 JHADMO CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928382 1071583758 /nfs/dbraw/zinc/58/37/58/1071583758.db2.gz BNTSAHQPHIWFRM-LADGPHEKSA-N 1 1 498.716 3.801 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928898 1071585322 /nfs/dbraw/zinc/58/53/22/1071585322.db2.gz QEUKBOFUSAJWEP-RZUBCFFCSA-N 1 1 478.607 3.838 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930140 1071588820 /nfs/dbraw/zinc/58/88/20/1071588820.db2.gz QCUDWVNPHMAUCP-VXKWHMMOSA-N 1 1 485.696 3.747 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930237 1071588944 /nfs/dbraw/zinc/58/89/44/1071588944.db2.gz AKYMXNWNPQBOPB-UTKZUKDTSA-N 1 1 486.462 3.869 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)C[C@@H]1C ZINC001313930392 1071589451 /nfs/dbraw/zinc/58/94/51/1071589451.db2.gz MFLKLTAJUYYSJY-OALUTQOASA-N 1 1 458.010 3.889 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313930500 1071589995 /nfs/dbraw/zinc/58/99/95/1071589995.db2.gz DRDSJRZAQHTOFB-OAHLLOKOSA-N 1 1 495.491 3.558 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313930653 1071590434 /nfs/dbraw/zinc/59/04/34/1071590434.db2.gz NSMTYNSKCUNEHL-IRXDYDNUSA-N 1 1 498.441 3.677 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931773 1071593620 /nfs/dbraw/zinc/59/36/20/1071593620.db2.gz ZRUGUIBBBRWNIC-VSKRKVRLSA-N 1 1 456.704 3.534 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@H]1C ZINC001313932014 1071594017 /nfs/dbraw/zinc/59/40/17/1071594017.db2.gz GWSZPWWCDCZLTI-CJFMBICVSA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC001313932276 1071594828 /nfs/dbraw/zinc/59/48/28/1071594828.db2.gz HUIXLMHFWSUTHB-AWEZNQCLSA-N 1 1 477.382 3.762 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313932538 1071595737 /nfs/dbraw/zinc/59/57/37/1071595737.db2.gz LGQPGBQAIRAAHI-OAHLLOKOSA-N 1 1 453.418 3.697 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2C)C[C@H]1C ZINC001313933637 1071598615 /nfs/dbraw/zinc/59/86/15/1071598615.db2.gz LZHQAOLCMWCIOS-QGZVFWFLSA-N 1 1 473.419 3.954 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001313933934 1071600525 /nfs/dbraw/zinc/60/05/25/1071600525.db2.gz PEIXKEZQBWQDPM-NYHFZMIOSA-N 1 1 492.393 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001313934698 1071603017 /nfs/dbraw/zinc/60/30/17/1071603017.db2.gz VBMYPVMXYRCYST-GJZGRUSLSA-N 1 1 452.422 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCO2)C[C@@H]1C ZINC001313934701 1071603026 /nfs/dbraw/zinc/60/30/26/1071603026.db2.gz VBMYPVMXYRCYST-LSDHHAIUSA-N 1 1 452.422 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001313934504 1071603114 /nfs/dbraw/zinc/60/31/14/1071603114.db2.gz ASECRUFXBYQIQB-SJBKTWHCSA-N 1 1 471.646 3.944 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607142 /nfs/dbraw/zinc/60/71/42/1071607142.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607145 /nfs/dbraw/zinc/60/71/45/1071607145.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 1 1 479.442 3.861 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@@H]1C ZINC001313935984 1071607910 /nfs/dbraw/zinc/60/79/10/1071607910.db2.gz AQTHVUFKTKTDPC-VXKWHMMOSA-N 1 1 492.709 3.986 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@H]1C ZINC001313935985 1071607931 /nfs/dbraw/zinc/60/79/31/1071607931.db2.gz AQTHVUFKTKTDPC-YADHBBJMSA-N 1 1 492.709 3.986 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615616 /nfs/dbraw/zinc/61/56/16/1071615616.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615619 /nfs/dbraw/zinc/61/56/19/1071615619.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)C[C@@H]1C ZINC001313938939 1071612893 /nfs/dbraw/zinc/61/28/93/1071612893.db2.gz YPWONNPKPXEZIX-MAUKXSAKSA-N 1 1 471.549 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCC(F)F)C[C@H]1C ZINC001313939289 1071613309 /nfs/dbraw/zinc/61/33/09/1071613309.db2.gz QEYXQNSDNHLYOL-QGZVFWFLSA-N 1 1 472.540 3.571 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC001313939667 1071613475 /nfs/dbraw/zinc/61/34/75/1071613475.db2.gz SHPUCUJWEXQSQD-OAHLLOKOSA-N 1 1 461.401 3.684 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001313941171 1071616232 /nfs/dbraw/zinc/61/62/32/1071616232.db2.gz ACJDBQNIONMFRD-KNQAVFIVSA-N 1 1 472.037 3.711 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001313941170 1071616278 /nfs/dbraw/zinc/61/62/78/1071616278.db2.gz ACJDBQNIONMFRD-DENIHFKCSA-N 1 1 472.037 3.711 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOc2ncccc2F)C[C@H]1C ZINC001313941381 1071617164 /nfs/dbraw/zinc/61/71/64/1071617164.db2.gz CBWQSIGQKSANRY-HXUWFJFHSA-N 1 1 468.577 3.617 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001313941502 1071617409 /nfs/dbraw/zinc/61/74/09/1071617409.db2.gz VSMHOEHOBWFEJM-HNNXBMFYSA-N 1 1 461.035 3.875 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941910 1071618277 /nfs/dbraw/zinc/61/82/77/1071618277.db2.gz BDUSMOUZWUUOSP-JOCHJYFZSA-N 1 1 494.606 3.745 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313942047 1071618781 /nfs/dbraw/zinc/61/87/81/1071618781.db2.gz HENNUWSUJHMQNC-QFIPXVFZSA-N 1 1 482.673 3.795 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001313942028 1071618981 /nfs/dbraw/zinc/61/89/81/1071618981.db2.gz HCEFIULUWZMILA-IBGZPJMESA-N 1 1 452.603 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942351 1071619588 /nfs/dbraw/zinc/61/95/88/1071619588.db2.gz PQZFXRAEESVDQF-XLIONFOSSA-N 1 1 477.535 3.629 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313943242 1071621957 /nfs/dbraw/zinc/62/19/57/1071621957.db2.gz QQBPRLIYIUYLPG-FQEVSTJZSA-N 1 1 465.646 3.661 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Sc2ccccc2)C[C@@H]1C ZINC001313943069 1071621988 /nfs/dbraw/zinc/62/19/88/1071621988.db2.gz PDHIQQCMKYALEP-SFTDATJTSA-N 1 1 453.660 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001313943442 1071622712 /nfs/dbraw/zinc/62/27/12/1071622712.db2.gz SIARAINFYFWXHR-AVRDEDQJSA-N 1 1 469.584 3.760 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313943795 1071623814 /nfs/dbraw/zinc/62/38/14/1071623814.db2.gz WHCDSAQUYUAGSZ-QFIPXVFZSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944958 1071625665 /nfs/dbraw/zinc/62/56/65/1071625665.db2.gz KORBTBNCZFMSLP-LJQANCHMSA-N 1 1 479.044 3.769 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945055 1071625728 /nfs/dbraw/zinc/62/57/28/1071625728.db2.gz GEXNYVOIBKBRDS-WIYYLYMNSA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945055 1071625730 /nfs/dbraw/zinc/62/57/30/1071625730.db2.gz GEXNYVOIBKBRDS-WIYYLYMNSA-N 1 1 457.022 3.949 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2)[NH+](CC)CC)C[C@@H]1C ZINC001313946399 1071628528 /nfs/dbraw/zinc/62/85/28/1071628528.db2.gz RKGYRVBLFKSWGF-WIOPSUGQSA-N 1 1 461.658 3.877 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629977 /nfs/dbraw/zinc/62/99/77/1071629977.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 1 1 484.689 3.764 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629980 /nfs/dbraw/zinc/62/99/80/1071629980.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 1 1 484.689 3.764 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946932 1071630510 /nfs/dbraw/zinc/63/05/10/1071630510.db2.gz IAHWOSBKHUKOEA-QGZVFWFLSA-N 1 1 481.508 3.565 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CC(F)(F)Br)C[C@@H]1C ZINC001313946819 1071630585 /nfs/dbraw/zinc/63/05/85/1071630585.db2.gz CNIBCHHOYMNPJC-ZDUSSCGKSA-N 1 1 462.314 3.514 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC=C(C)C)C2)CC1 ZINC001313947567 1071632319 /nfs/dbraw/zinc/63/23/19/1071632319.db2.gz BFZXCRZHOGMWPF-HXUWFJFHSA-N 1 1 458.601 3.720 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948922 1071634599 /nfs/dbraw/zinc/63/45/99/1071634599.db2.gz USZDWEVJLLPDTL-QHCPKHFHSA-N 1 1 456.654 3.810 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949202 1071635900 /nfs/dbraw/zinc/63/59/00/1071635900.db2.gz WLUWPPOHOBRBOG-GOSISDBHSA-N 1 1 481.508 3.565 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313950433 1071638061 /nfs/dbraw/zinc/63/80/61/1071638061.db2.gz VUOSXLNSZTYEDN-KKLQWCBXSA-N 1 1 471.646 3.793 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313950442 1071638121 /nfs/dbraw/zinc/63/81/21/1071638121.db2.gz PHYLZGJCAMTKJC-IEBWSBKVSA-N 1 1 468.568 3.899 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313951580 1071642293 /nfs/dbraw/zinc/64/22/93/1071642293.db2.gz VEXYMWODMBBYPE-IBGZPJMESA-N 1 1 485.080 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952542 1071645734 /nfs/dbraw/zinc/64/57/34/1071645734.db2.gz ROSJWOZMNDWMSK-DNVJHFABSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952526 1071645924 /nfs/dbraw/zinc/64/59/24/1071645924.db2.gz RJRQOGDGHNKMQM-UPVQGACJSA-N 1 1 468.690 3.817 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313952904 1071647051 /nfs/dbraw/zinc/64/70/51/1071647051.db2.gz UVVNRCJCNSHZDK-RTWAWAEBSA-N 1 1 491.080 3.714 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313954312 1071651267 /nfs/dbraw/zinc/65/12/67/1071651267.db2.gz NTXYUGFCYPPXCW-OAQYLSRUSA-N 1 1 494.688 3.738 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313955848 1071656717 /nfs/dbraw/zinc/65/67/17/1071656717.db2.gz IVADBBOSSQYSPO-PCCBWWKXSA-N 1 1 474.644 3.903 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954757 1071652859 /nfs/dbraw/zinc/65/28/59/1071652859.db2.gz CIVMRNASBSYPQD-OAQYLSRUSA-N 1 1 482.076 3.827 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313955050 1071654123 /nfs/dbraw/zinc/65/41/23/1071654123.db2.gz DTOWZLMPBFKJFQ-CTNGQTDRSA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)CC1 ZINC001313955168 1071654812 /nfs/dbraw/zinc/65/48/12/1071654812.db2.gz TVVFWZUFZDIVSF-GOSISDBHSA-N 1 1 481.472 3.895 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955396 1071655497 /nfs/dbraw/zinc/65/54/97/1071655497.db2.gz GMWBNFMIQJILHK-QHCPKHFHSA-N 1 1 452.691 3.963 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313955598 1071656260 /nfs/dbraw/zinc/65/62/60/1071656260.db2.gz TUYZQVVSYZXYIY-NRFANRHFSA-N 1 1 465.621 3.779 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955912 1071656601 /nfs/dbraw/zinc/65/66/01/1071656601.db2.gz VXTZBLDSUAGGER-GOSISDBHSA-N 1 1 474.028 3.976 20 0 JHADMO CCN(c1nnc(-c2ccc(Br)s2)n1CCCN1CC[NH+](CC)CC1)C1CC1 ZINC001313957997 1071662473 /nfs/dbraw/zinc/66/24/73/1071662473.db2.gz MGUJTWUXBJYHBA-UHFFFAOYSA-N 1 1 467.481 3.785 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313957248 1071659450 /nfs/dbraw/zinc/65/94/50/1071659450.db2.gz PYRZAQPIAZCPJO-VXKWHMMOSA-N 1 1 490.643 3.921 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957753 1071661127 /nfs/dbraw/zinc/66/11/27/1071661127.db2.gz ZAZANRWUVYAQRS-QFIPXVFZSA-N 1 1 479.044 3.976 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957912 1071661874 /nfs/dbraw/zinc/66/18/74/1071661874.db2.gz SALCCVMVKCKIPA-ZEQRLZLVSA-N 1 1 498.716 3.788 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313957849 1071661891 /nfs/dbraw/zinc/66/18/91/1071661891.db2.gz KXFSAFJEUMJGLF-UHFFFAOYSA-N 1 1 452.981 3.862 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957910 1071661911 /nfs/dbraw/zinc/66/19/11/1071661911.db2.gz SALCCVMVKCKIPA-DNQXCXABSA-N 1 1 498.716 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313957938 1071661929 /nfs/dbraw/zinc/66/19/29/1071661929.db2.gz SKKQYDTUBHQTDX-XUVXKRRUSA-N 1 1 460.617 3.513 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313958757 1071664662 /nfs/dbraw/zinc/66/46/62/1071664662.db2.gz XXELOMDIZNORMD-SLFFLAALSA-N 1 1 480.673 3.932 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313960060 1071668652 /nfs/dbraw/zinc/66/86/52/1071668652.db2.gz GAZDWQKRGQVJPW-UHFFFAOYSA-N 1 1 477.426 3.641 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960329 1071669860 /nfs/dbraw/zinc/66/98/60/1071669860.db2.gz IURYOEAQAFYHNL-RTWAWAEBSA-N 1 1 458.626 3.821 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960538 1071669914 /nfs/dbraw/zinc/66/99/14/1071669914.db2.gz KLYVRGDVCFNBNB-LADGPHEKSA-N 1 1 484.689 3.678 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313963190 1071677109 /nfs/dbraw/zinc/67/71/09/1071677109.db2.gz KSEUMFGCXOSKFI-VXKWHMMOSA-N 1 1 452.647 3.657 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313963191 1071677132 /nfs/dbraw/zinc/67/71/32/1071677132.db2.gz KSEUMFGCXOSKFI-YADHBBJMSA-N 1 1 452.647 3.657 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313968982 1071693228 /nfs/dbraw/zinc/69/32/28/1071693228.db2.gz HAXAWJYYVNZYQA-HXUWFJFHSA-N 1 1 452.647 3.809 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313971864 1071697100 /nfs/dbraw/zinc/69/71/00/1071697100.db2.gz PVQBAZZEJZZCAT-HXUWFJFHSA-N 1 1 469.678 3.916 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313993450 1071727820 /nfs/dbraw/zinc/72/78/20/1071727820.db2.gz HLUXEQYPIOHZRR-SFHVURJKSA-N 1 1 492.043 3.854 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314020772 1071772815 /nfs/dbraw/zinc/77/28/15/1071772815.db2.gz YGLIAIOFQHODGQ-HXUWFJFHSA-N 1 1 475.037 3.997 20 0 JHADMO 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CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001306246593 1068654092 /nfs/dbraw/zinc/65/40/92/1068654092.db2.gz VBGYCWNXYGYEBF-OXJNMPFZSA-N 1 1 477.028 3.963 20 0 JHADMO CC[C@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC[NH+]1CCOCC1 ZINC001306283877 1068700783 /nfs/dbraw/zinc/70/07/83/1068700783.db2.gz NJDOUSGFMNHPNA-XXBNENTESA-N 1 1 468.646 3.884 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001306297084 1068714787 /nfs/dbraw/zinc/71/47/87/1068714787.db2.gz MSWHBNXUZJBXKR-JDRJUVJTSA-N 1 1 455.647 3.846 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306316269 1068735712 /nfs/dbraw/zinc/73/57/12/1068735712.db2.gz DHQAZPLMABBUOE-ICSRJNTNSA-N 1 1 490.446 3.971 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@@H](C)C1 ZINC001306317977 1068739640 /nfs/dbraw/zinc/73/96/40/1068739640.db2.gz CKFPXPJNDQZCIJ-PMACEKPBSA-N 1 1 457.619 3.842 20 0 JHADMO 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CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C)C1=O ZINC001164776107 721321190 /nfs/dbraw/zinc/32/11/90/721321190.db2.gz CDONSERQSXKDPL-SSOJOUAXSA-N 1 1 453.656 3.861 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164779794 721341398 /nfs/dbraw/zinc/34/13/98/721341398.db2.gz WRPWIKXVYCRFNG-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164779794 721341400 /nfs/dbraw/zinc/34/14/00/721341400.db2.gz WRPWIKXVYCRFNG-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164779995 721342743 /nfs/dbraw/zinc/34/27/43/721342743.db2.gz XYICMMBCALFVPG-QHCPKHFHSA-N 1 1 461.994 3.619 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164779995 721342748 /nfs/dbraw/zinc/34/27/48/721342748.db2.gz XYICMMBCALFVPG-QHCPKHFHSA-N 1 1 461.994 3.619 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)n1 ZINC001164887784 721344938 /nfs/dbraw/zinc/34/49/38/721344938.db2.gz VOXUPTUCRLXDES-IDISGSTGSA-N 1 1 491.661 3.932 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164779800 721345011 /nfs/dbraw/zinc/34/50/11/721345011.db2.gz WSNGCYYFERHBPG-OAQYLSRUSA-N 1 1 450.008 3.502 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164779800 721345014 /nfs/dbraw/zinc/34/50/14/721345014.db2.gz WSNGCYYFERHBPG-OAQYLSRUSA-N 1 1 450.008 3.502 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779914 721354566 /nfs/dbraw/zinc/35/45/66/721354566.db2.gz WZFJOKUAIPRZET-RUZDIDTESA-N 1 1 490.048 3.941 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779914 721354569 /nfs/dbraw/zinc/35/45/69/721354569.db2.gz WZFJOKUAIPRZET-RUZDIDTESA-N 1 1 490.048 3.941 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2s1 ZINC001164784082 721359367 /nfs/dbraw/zinc/35/93/67/721359367.db2.gz QHYOKMZSROGRBD-XMMPIXPASA-N 1 1 485.610 3.592 20 0 JHADMO CCCN(CCC)c1cncc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787050 721360478 /nfs/dbraw/zinc/36/04/78/721360478.db2.gz XUMKAQJNESOKJA-VWLOTQADSA-N 1 1 456.635 3.827 20 0 JHADMO CCCN(CCC)c1cncc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787050 721360483 /nfs/dbraw/zinc/36/04/83/721360483.db2.gz XUMKAQJNESOKJA-VWLOTQADSA-N 1 1 456.635 3.827 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164783083 721361800 /nfs/dbraw/zinc/36/18/00/721361800.db2.gz PEKKUUGIXQKKFE-HHHXNRCGSA-N 1 1 459.594 3.966 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164783083 721361807 /nfs/dbraw/zinc/36/18/07/721361807.db2.gz PEKKUUGIXQKKFE-HHHXNRCGSA-N 1 1 459.594 3.966 20 0 JHADMO 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20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811346 721588986 /nfs/dbraw/zinc/58/89/86/721588986.db2.gz XKUOXUGYRFYFSX-TZBSWOFLSA-N 1 1 465.985 3.972 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811346 721588989 /nfs/dbraw/zinc/58/89/89/721588989.db2.gz XKUOXUGYRFYFSX-TZBSWOFLSA-N 1 1 465.985 3.972 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164804344 721603203 /nfs/dbraw/zinc/60/32/03/721603203.db2.gz YCIDKOLAOVFGPE-GVAUOCQISA-N 1 1 463.626 3.586 20 0 JHADMO FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906526 721696147 /nfs/dbraw/zinc/69/61/47/721696147.db2.gz NICFAAMJFBJHEO-JOCHJYFZSA-N 1 1 462.976 3.730 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904872 721715620 /nfs/dbraw/zinc/71/56/20/721715620.db2.gz DRFBQEBHMFWYDT-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2[nH]1 ZINC001164904872 721715628 /nfs/dbraw/zinc/71/56/28/721715628.db2.gz DRFBQEBHMFWYDT-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2[nH]1 ZINC001164904872 721715635 /nfs/dbraw/zinc/71/56/35/721715635.db2.gz DRFBQEBHMFWYDT-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913862 721737313 /nfs/dbraw/zinc/73/73/13/721737313.db2.gz ZADNFZIZKMXBTE-HSZRJFAPSA-N 1 1 455.509 3.780 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909398 721746271 /nfs/dbraw/zinc/74/62/71/721746271.db2.gz QZAVSGBIXXDXTO-UHFFFAOYSA-N 1 1 457.534 3.989 20 0 JHADMO CCOC(=O)c1nc2ccccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909398 721746283 /nfs/dbraw/zinc/74/62/83/721746283.db2.gz QZAVSGBIXXDXTO-UHFFFAOYSA-N 1 1 457.534 3.989 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164908842 721748544 /nfs/dbraw/zinc/74/85/44/721748544.db2.gz LONNPXBYRBYKEN-UHFFFAOYSA-N 1 1 476.606 3.711 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164908842 721748545 /nfs/dbraw/zinc/74/85/45/721748545.db2.gz LONNPXBYRBYKEN-UHFFFAOYSA-N 1 1 476.606 3.711 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164910739 721753021 /nfs/dbraw/zinc/75/30/21/721753021.db2.gz RATSAPMWRNCUKU-UHFFFAOYSA-N 1 1 470.577 3.649 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164910739 721753023 /nfs/dbraw/zinc/75/30/23/721753023.db2.gz RATSAPMWRNCUKU-UHFFFAOYSA-N 1 1 470.577 3.649 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)C1=O ZINC001164910912 721760038 /nfs/dbraw/zinc/76/00/38/721760038.db2.gz UFMXEEDSIUSGKQ-UHFFFAOYSA-N 1 1 466.973 3.677 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)C1=O 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ZINC001165026718 721821992 /nfs/dbraw/zinc/82/19/92/721821992.db2.gz PTMVXSDSAQDISI-ZYSHUDEJSA-N 1 1 468.989 3.540 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028356 721822348 /nfs/dbraw/zinc/82/23/48/721822348.db2.gz VOKAKAXNNAWPNI-JCGIZDLHSA-N 1 1 454.962 3.530 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@H]21 ZINC001165019762 721825957 /nfs/dbraw/zinc/82/59/57/721825957.db2.gz BTXKRAVFRNXCKQ-QKYXUNIQSA-N 1 1 484.029 3.971 20 0 JHADMO 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 721832086 /nfs/dbraw/zinc/83/20/86/721832086.db2.gz USUMUDVWRXAVFC-AYOQOUSVSA-N 1 1 485.000 3.815 20 0 JHADMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(=O)OCC ZINC001165027831 721832220 /nfs/dbraw/zinc/83/22/20/721832220.db2.gz UDKOUWYKGLIKGA-VLCRHTCISA-N 1 1 466.582 3.567 20 0 JHADMO 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c1ccc(CN2CCc3ncnc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)c3C2)cc1 ZINC001164954124 722014181 /nfs/dbraw/zinc/01/41/81/722014181.db2.gz IOCLFZXGKFGRLC-UHFFFAOYSA-N 1 1 454.622 3.922 20 0 JHADMO c1ccc(N2CCN(c3ccc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)nn3)CC2)cc1 ZINC001164955677 722022551 /nfs/dbraw/zinc/02/25/51/722022551.db2.gz MUZSMXZUFNBBFZ-UHFFFAOYSA-N 1 1 469.637 3.691 20 0 JHADMO c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C2SCCCS2)n1 ZINC001164964654 722054553 /nfs/dbraw/zinc/05/45/53/722054553.db2.gz WKZBAPJJPWLOML-UHFFFAOYSA-N 1 1 457.669 3.859 20 0 JHADMO CCOc1cc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1OCC ZINC001164964827 722056418 /nfs/dbraw/zinc/05/64/18/722056418.db2.gz YDSMTOYBKATCLG-UHFFFAOYSA-N 1 1 477.609 3.941 20 0 JHADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964498 722057910 /nfs/dbraw/zinc/05/79/10/722057910.db2.gz VETMHLPIJJHKDB-UHFFFAOYSA-N 1 1 474.943 3.737 20 0 JHADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC3)C2)ccn1 ZINC001164962497 722060949 /nfs/dbraw/zinc/06/09/49/722060949.db2.gz SSLCJQNMCZSUBD-UHFFFAOYSA-N 1 1 487.604 3.819 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968949 722081104 /nfs/dbraw/zinc/08/11/04/722081104.db2.gz GNWQNXPTBHTJHT-ZYQDXHPFSA-N 1 1 450.631 3.731 20 0 JHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981757 722110864 /nfs/dbraw/zinc/11/08/64/722110864.db2.gz VDCMWIVYCSKZLB-UTKZUKDTSA-N 1 1 459.928 3.950 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979767 722120842 /nfs/dbraw/zinc/12/08/42/722120842.db2.gz PUBNFDMCMFWXOF-JTHBVZDNSA-N 1 1 465.985 3.831 20 0 JHADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978405 722126988 /nfs/dbraw/zinc/12/69/88/722126988.db2.gz ONMRPXOCXNMTOS-NQIIRXRSSA-N 1 1 458.990 3.813 20 0 JHADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972764 722135379 /nfs/dbraw/zinc/13/53/79/722135379.db2.gz AKTUEHUDXFEOBE-JKSUJKDBSA-N 1 1 458.340 3.537 20 0 JHADMO c1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975221 722138338 /nfs/dbraw/zinc/13/83/38/722138338.db2.gz FTKBJTUUZCKLCB-WIOPSUGQSA-N 1 1 458.610 3.742 20 0 JHADMO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164976054 722152067 /nfs/dbraw/zinc/15/20/67/722152067.db2.gz GVSHKURHXHPTBY-SIKLNZKXSA-N 1 1 458.591 3.876 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972600 722155344 /nfs/dbraw/zinc/15/53/44/722155344.db2.gz IOUUHNLBTNJOCJ-RDJZCZTQSA-N 1 1 459.324 3.935 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164986311 722172957 /nfs/dbraw/zinc/17/29/57/722172957.db2.gz JRBFTEPIEWEVLA-DHIUTWEWSA-N 1 1 462.598 3.559 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001165000736 722218807 /nfs/dbraw/zinc/21/88/07/722218807.db2.gz YGTBYEQUKWPXJO-SHQCIBLASA-N 1 1 476.625 3.845 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4scc(-c5cccs5)c42)CC3)CC1 ZINC001164998150 722231453 /nfs/dbraw/zinc/23/14/53/722231453.db2.gz YQCOJLUPKKXWOK-UHFFFAOYSA-N 1 1 463.636 3.567 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nnc(-c4ccc(F)cc4)c4ccccc42)CC3)CC1 ZINC001165002642 722237470 /nfs/dbraw/zinc/23/74/70/722237470.db2.gz WPWAYTLTSBTDQJ-UHFFFAOYSA-N 1 1 469.568 3.583 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)c2nc(C)cs2)CC[N@H+]1CCOC ZINC001306622562 1069312443 /nfs/dbraw/zinc/31/24/43/1069312443.db2.gz ZZYKRJQFGFUHLB-HKUYNNGSSA-N 1 1 457.648 3.779 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306623380 1069314381 /nfs/dbraw/zinc/31/43/81/1069314381.db2.gz RSRALUTVROPTLA-CJFMBICVSA-N 1 1 491.080 3.872 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306623383 1069314918 /nfs/dbraw/zinc/31/49/18/1069314918.db2.gz RSRALUTVROPTLA-NLFFAJNJSA-N 1 1 491.080 3.872 20 0 JHADMO Cc1cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1S(=O)(=O)N(C)C ZINC001311282503 1069315263 /nfs/dbraw/zinc/31/52/63/1069315263.db2.gz QRFADBZPMNBUDF-SLFFLAALSA-N 1 1 458.628 3.761 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001306623488 1069315419 /nfs/dbraw/zinc/31/54/19/1069315419.db2.gz JBEQJBVAXBYDAO-XMMPIXPASA-N 1 1 491.640 3.592 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001306624447 1069317994 /nfs/dbraw/zinc/31/79/94/1069317994.db2.gz KDAHQCLDXQTXOD-TXTKFYIRSA-N 1 1 451.681 3.743 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1CCOC ZINC001306624694 1069318741 /nfs/dbraw/zinc/31/87/41/1069318741.db2.gz LRYHSQQWHRCYGZ-BJKOFHAPSA-N 1 1 485.673 3.733 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC[N@H+]1CCOC ZINC001306628546 1069326575 /nfs/dbraw/zinc/32/65/75/1069326575.db2.gz GLWQRNPLJGWGRL-RXVVDRJESA-N 1 1 477.650 3.628 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306634409 1069339730 /nfs/dbraw/zinc/33/97/30/1069339730.db2.gz IGVJOKDWESCLPA-KAOXLYBCSA-N 1 1 477.694 3.703 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC001306636372 1069345420 /nfs/dbraw/zinc/34/54/20/1069345420.db2.gz YUSQGTBVPGVIGH-SIKLNZKXSA-N 1 1 478.037 3.777 20 0 JHADMO CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306639235 1069349537 /nfs/dbraw/zinc/34/95/37/1069349537.db2.gz CZKHWAIUZBYRHN-UHFFFAOYSA-N 1 1 456.635 3.884 20 0 JHADMO CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306639235 1069349556 /nfs/dbraw/zinc/34/95/56/1069349556.db2.gz CZKHWAIUZBYRHN-UHFFFAOYSA-N 1 1 456.635 3.884 20 0 JHADMO COc1ccccc1SC[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001311376982 1069351190 /nfs/dbraw/zinc/35/11/90/1069351190.db2.gz NELUJDFIAYGLPQ-LEWJYISDSA-N 1 1 456.656 3.933 20 0 JHADMO COc1ccccc1[C@H](NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)c1ccccn1 ZINC001311376943 1069350322 /nfs/dbraw/zinc/35/03/22/1069350322.db2.gz MFZOGWCYTANOIC-RLWLMLJZSA-N 1 1 459.594 3.690 20 0 JHADMO CC[C@H](CNC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC001311392895 1069359119 /nfs/dbraw/zinc/35/91/19/1069359119.db2.gz XEQUIJFHLSZNGD-CLJLJLNGSA-N 1 1 450.627 3.504 20 0 JHADMO CN(C)[C@@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1Cl ZINC001311421594 1069369432 /nfs/dbraw/zinc/36/94/32/1069369432.db2.gz CIJRIRSOALXVBA-BJKOFHAPSA-N 1 1 458.050 3.621 20 0 JHADMO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001306660239 1069379241 /nfs/dbraw/zinc/37/92/41/1069379241.db2.gz WFFYKUXCOWWKTL-YADHBBJMSA-N 1 1 460.667 3.527 20 0 JHADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001311440590 1069381118 /nfs/dbraw/zinc/38/11/18/1069381118.db2.gz GVEUPCUJRSMDCE-KRWDZBQOSA-N 1 1 458.466 3.976 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001306663266 1069385498 /nfs/dbraw/zinc/38/54/98/1069385498.db2.gz AMXHRYMOCGDESQ-FQEVSTJZSA-N 1 1 469.678 3.801 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001306664835 1069389977 /nfs/dbraw/zinc/38/99/77/1069389977.db2.gz KJHPZAHDZANSBX-GOTSBHOMSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001306665252 1069391651 /nfs/dbraw/zinc/39/16/51/1069391651.db2.gz MJJMIDAOWYTKIZ-NRFANRHFSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)Cc1ccccc1 ZINC001306675001 1069399338 /nfs/dbraw/zinc/39/93/38/1069399338.db2.gz NVGTXEOKXOALGV-JOCHJYFZSA-N 1 1 486.661 3.955 20 0 JHADMO C[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(N2CCCC2)c1 ZINC001311485564 1069399652 /nfs/dbraw/zinc/39/96/52/1069399652.db2.gz DKAAKKBEPNPWSZ-HXUWFJFHSA-N 1 1 459.635 3.590 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001306679340 1069404948 /nfs/dbraw/zinc/40/49/48/1069404948.db2.gz HVVPQEXBFCTBDR-FQEVSTJZSA-N 1 1 490.096 3.663 20 0 JHADMO C[C@@H](NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496279 1069406321 /nfs/dbraw/zinc/40/63/21/1069406321.db2.gz LYFOMTIHUBDGMQ-MZNJEOGPSA-N 1 1 457.525 3.771 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001306680113 1069406415 /nfs/dbraw/zinc/40/64/15/1069406415.db2.gz PITCIYSMVOGPBP-FQEVSTJZSA-N 1 1 494.619 3.512 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001306681462 1069410395 /nfs/dbraw/zinc/41/03/95/1069410395.db2.gz YWUJFIDLKJKHOF-VWLOTQADSA-N 1 1 473.687 3.770 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001306681855 1069411846 /nfs/dbraw/zinc/41/18/46/1069411846.db2.gz VTPCZUPTBOFAMW-HOYKHHGWSA-N 1 1 479.572 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306682026 1069411926 /nfs/dbraw/zinc/41/19/26/1069411926.db2.gz ZZFNVIXTZMPBPE-FQEVSTJZSA-N 1 1 484.670 3.547 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 ZINC001306680805 1069408734 /nfs/dbraw/zinc/40/87/34/1069408734.db2.gz GFPNITCROKGPGS-UHFFFAOYSA-N 1 1 463.630 3.625 20 0 JHADMO COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001311499050 1069408700 /nfs/dbraw/zinc/40/87/00/1069408700.db2.gz UFUYEUAYUOJMRA-CYFREDJKSA-N 1 1 450.583 3.920 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001306683301 1069416552 /nfs/dbraw/zinc/41/65/52/1069416552.db2.gz RBCNDRUIQJMREV-UHFFFAOYSA-N 1 1 451.594 3.840 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306683514 1069417215 /nfs/dbraw/zinc/41/72/15/1069417215.db2.gz WDAXMHNVWUOGJE-UXHICEINSA-N 1 1 489.462 3.687 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001306682420 1069413362 /nfs/dbraw/zinc/41/33/62/1069413362.db2.gz GVWLZAGEGSGOGT-UHFFFAOYSA-N 1 1 451.619 3.803 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001306682604 1069413843 /nfs/dbraw/zinc/41/38/43/1069413843.db2.gz JGPVMAUHTIGZIX-UHFFFAOYSA-N 1 1 485.702 3.689 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001306682769 1069414663 /nfs/dbraw/zinc/41/46/63/1069414663.db2.gz NMVPJVOZJDLYTE-JOCHJYFZSA-N 1 1 468.429 3.980 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001306683753 1069417992 /nfs/dbraw/zinc/41/79/92/1069417992.db2.gz CHGVPFOSBSEDJF-UHFFFAOYSA-N 1 1 464.614 3.694 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC ZINC001306685460 1069420818 /nfs/dbraw/zinc/42/08/18/1069420818.db2.gz DZAXUSJOOBHISX-NJYVYQBISA-N 1 1 478.682 3.943 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 ZINC001306685867 1069421944 /nfs/dbraw/zinc/42/19/44/1069421944.db2.gz MIFALQZBVCLQNB-UXHICEINSA-N 1 1 496.722 3.650 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001306686686 1069423216 /nfs/dbraw/zinc/42/32/16/1069423216.db2.gz GPJDTYUFJDTMPF-UHFFFAOYSA-N 1 1 461.658 3.939 20 0 JHADMO CCCC[N@@H+](C)CCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1C(C)(C)C ZINC001306687048 1069424090 /nfs/dbraw/zinc/42/40/90/1069424090.db2.gz ISVMGGBMHNCUMA-UHFFFAOYSA-N 1 1 462.589 3.548 20 0 JHADMO O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001311530136 1069425189 /nfs/dbraw/zinc/42/51/89/1069425189.db2.gz VUDABGKQOAODNV-OAQYLSRUSA-N 1 1 451.489 3.675 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001311534672 1069426909 /nfs/dbraw/zinc/42/69/09/1069426909.db2.gz QNYLDEMNBNEDTM-JBACZVJFSA-N 1 1 454.656 3.601 20 0 JHADMO CCC(CC)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)N1CCOCC1 ZINC001311536532 1069429010 /nfs/dbraw/zinc/42/90/10/1069429010.db2.gz WWLCEBCNGYCVLT-VXKWHMMOSA-N 1 1 450.693 3.957 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC001311538360 1069430208 /nfs/dbraw/zinc/43/02/08/1069430208.db2.gz KCVYXAGALHFDRN-UHFFFAOYSA-N 1 1 454.958 3.794 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC001311538360 1069430211 /nfs/dbraw/zinc/43/02/11/1069430211.db2.gz KCVYXAGALHFDRN-UHFFFAOYSA-N 1 1 454.958 3.794 20 0 JHADMO CCCCn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001306709467 1069443251 /nfs/dbraw/zinc/44/32/51/1069443251.db2.gz SBMBUFQNEMDXIK-UHFFFAOYSA-N 1 1 452.647 3.824 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c4ccc(Br)cc34)C2)cc(OC)c1 ZINC001306709630 1069443763 /nfs/dbraw/zinc/44/37/63/1069443763.db2.gz DYMLCYYEOZHRII-INIZCTEOSA-N 1 1 458.356 3.952 20 0 JHADMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Cl ZINC001311583466 1069450163 /nfs/dbraw/zinc/45/01/63/1069450163.db2.gz SSCVRPLUPOZCQD-ORAYPTAESA-N 1 1 453.345 3.840 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306721960 1069458927 /nfs/dbraw/zinc/45/89/27/1069458927.db2.gz DFEBUXKNLXITAA-LVXARBLLSA-N 1 1 452.647 3.871 20 0 JHADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605352 1069459049 /nfs/dbraw/zinc/45/90/49/1069459049.db2.gz PLXIZCJEWDFIPX-QHCPKHFHSA-N 1 1 452.647 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306721959 1069459155 /nfs/dbraw/zinc/45/91/55/1069459155.db2.gz DFEBUXKNLXITAA-HFZDXXHNSA-N 1 1 452.647 3.871 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306723313 1069462842 /nfs/dbraw/zinc/46/28/42/1069462842.db2.gz RJSHONMDASGPBP-RBBKRZOGSA-N 1 1 484.645 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306723230 1069463012 /nfs/dbraw/zinc/46/30/12/1069463012.db2.gz PKONEJLQMGKKMP-FQRUVTKNSA-N 1 1 468.646 3.571 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001306724016 1069464714 /nfs/dbraw/zinc/46/47/14/1069464714.db2.gz XHJDPBQAOWBUBX-IPMKNSEASA-N 1 1 459.664 3.580 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001306725220 1069466363 /nfs/dbraw/zinc/46/63/63/1069466363.db2.gz BFFPVIXTHRPCAL-PWRODBHTSA-N 1 1 465.708 3.707 20 0 JHADMO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619069 1069469966 /nfs/dbraw/zinc/46/99/66/1069469966.db2.gz JJQJEVQWRFDCEI-GCJKJVERSA-N 1 1 454.546 3.627 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306727309 1069471677 /nfs/dbraw/zinc/47/16/77/1069471677.db2.gz PMAUNMRQOGMOCK-RXVVDRJESA-N 1 1 489.690 3.565 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727339 1069472183 /nfs/dbraw/zinc/47/21/83/1069472183.db2.gz PUDBENZMJAZEIW-VXKWHMMOSA-N 1 1 490.693 3.884 20 0 JHADMO 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 1069472792 /nfs/dbraw/zinc/47/27/92/1069472792.db2.gz FCYCZAIKHANPRI-GPQLQYNLSA-N 1 1 462.683 3.551 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727932 1069473715 /nfs/dbraw/zinc/47/37/15/1069473715.db2.gz SHRSJLXREVJMLM-HKBOAZHASA-N 1 1 476.666 3.540 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001306728113 1069474453 /nfs/dbraw/zinc/47/44/53/1069474453.db2.gz SRXLZQNUXJHAEG-HSZRJFAPSA-N 1 1 496.704 3.549 20 0 JHADMO COc1cc2c(cc1OC)[C@H](NC(=O)NCc1cccc(C[NH+]3CCOCC3)c1)CCCC2 ZINC001311625194 1069474851 /nfs/dbraw/zinc/47/48/51/1069474851.db2.gz OOIQLXRIIAQFIU-HSZRJFAPSA-N 1 1 453.583 3.803 20 0 JHADMO CCCN(C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001311630851 1069478875 /nfs/dbraw/zinc/47/88/75/1069478875.db2.gz UUMAGQYCDMQFEK-ISJGIBHGSA-N 1 1 456.675 3.820 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)cn1 ZINC001311632830 1069479889 /nfs/dbraw/zinc/47/98/89/1069479889.db2.gz WDLYKKDDNRAOHW-LJQANCHMSA-N 1 1 456.344 3.621 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C ZINC001306730075 1069480135 /nfs/dbraw/zinc/48/01/35/1069480135.db2.gz MAQIZFIAUYLCJC-FQEVSTJZSA-N 1 1 456.635 3.786 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C ZINC001306730076 1069480221 /nfs/dbraw/zinc/48/02/21/1069480221.db2.gz MAQIZFIAUYLCJC-HXUWFJFHSA-N 1 1 456.635 3.786 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001306730146 1069480676 /nfs/dbraw/zinc/48/06/76/1069480676.db2.gz MXNFEGBRNAUTPN-VWNXMTODSA-N 1 1 488.721 3.944 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 ZINC001306729133 1069477065 /nfs/dbraw/zinc/47/70/65/1069477065.db2.gz WSPZPONCLORUNP-DEOSSOPVSA-N 1 1 482.673 3.591 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001306730643 1069482522 /nfs/dbraw/zinc/48/25/22/1069482522.db2.gz OJAVAUWRAPWYFL-HSZRJFAPSA-N 1 1 482.673 3.783 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001306731624 1069486960 /nfs/dbraw/zinc/48/69/60/1069486960.db2.gz RVAFJECFQHKHSW-MLCQCVOFSA-N 1 1 477.694 3.908 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001306732106 1069488306 /nfs/dbraw/zinc/48/83/06/1069488306.db2.gz UZPGIAKBSADNLT-YTFSRNRJSA-N 1 1 457.667 3.798 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306732151 1069488756 /nfs/dbraw/zinc/48/87/56/1069488756.db2.gz VENXWIFRNPVOGP-YZUZCNPQSA-N 1 1 465.708 3.915 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306732335 1069489172 /nfs/dbraw/zinc/48/91/72/1069489172.db2.gz HJTOBTHFFGWGTC-KELBGUDLSA-N 1 1 495.716 3.906 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001311652014 1069489214 /nfs/dbraw/zinc/48/92/14/1069489214.db2.gz BWEARVZJEWXXLN-JOCHJYFZSA-N 1 1 459.472 3.796 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)c2)CCO1 ZINC001311663780 1069493434 /nfs/dbraw/zinc/49/34/34/1069493434.db2.gz FCTOWNLZGOCBOG-WTIAFYNJSA-N 1 1 455.624 3.618 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)c2)CCO1 ZINC001311663780 1069493440 /nfs/dbraw/zinc/49/34/40/1069493440.db2.gz FCTOWNLZGOCBOG-WTIAFYNJSA-N 1 1 455.624 3.618 20 0 JHADMO 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 1069497956 /nfs/dbraw/zinc/49/79/56/1069497956.db2.gz HSTNILUSYFXHEQ-IXDOHACOSA-N 1 1 455.430 3.827 20 0 JHADMO 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 1069498040 /nfs/dbraw/zinc/49/80/40/1069498040.db2.gz GNGVPFRHZCFOSX-HDAAZOAOSA-N 1 1 458.651 3.794 20 0 JHADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)C1 ZINC001311695214 1069507255 /nfs/dbraw/zinc/50/72/55/1069507255.db2.gz SZKHQULNZINCPE-DLBZAZTESA-N 1 1 454.537 3.879 20 0 JHADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)C1 ZINC001311695218 1069507453 /nfs/dbraw/zinc/50/74/53/1069507453.db2.gz SZKHQULNZINCPE-IAGOWNOFSA-N 1 1 454.537 3.879 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306741412 1069517581 /nfs/dbraw/zinc/51/75/81/1069517581.db2.gz BHGFOBSYTQJTOR-DHIUTWEWSA-N 1 1 481.689 3.517 20 0 JHADMO CC(C)(CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[N@H+]1CCc2ccccc2C1 ZINC001311719933 1069519010 /nfs/dbraw/zinc/51/90/10/1069519010.db2.gz HAKAVOFVBADVKX-OAQYLSRUSA-N 1 1 458.965 3.721 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc[nH+]c2C)C1 ZINC001306744210 1069524697 /nfs/dbraw/zinc/52/46/97/1069524697.db2.gz VSFGYOYHKIEAHV-BHDDXSALSA-N 1 1 485.677 3.535 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC=CCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001306745394 1069527725 /nfs/dbraw/zinc/52/77/25/1069527725.db2.gz COFLHZKERVANKB-UHFFFAOYSA-N 1 1 482.673 3.925 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC=CCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001306745394 1069527729 /nfs/dbraw/zinc/52/77/29/1069527729.db2.gz COFLHZKERVANKB-UHFFFAOYSA-N 1 1 482.673 3.925 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC=CCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001306745394 1069527736 /nfs/dbraw/zinc/52/77/36/1069527736.db2.gz COFLHZKERVANKB-UHFFFAOYSA-N 1 1 482.673 3.925 20 0 JHADMO COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC001311737876 1069528402 /nfs/dbraw/zinc/52/84/02/1069528402.db2.gz GWWQVCSNXFQYMJ-HXUWFJFHSA-N 1 1 452.590 3.571 20 0 JHADMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001311747748 1069531664 /nfs/dbraw/zinc/53/16/64/1069531664.db2.gz LTPPGFVFCXLQQK-MCEYFSPLSA-N 1 1 456.631 3.987 20 0 JHADMO COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001311747033 1069531750 /nfs/dbraw/zinc/53/17/50/1069531750.db2.gz KSMHFKQXZRDQEP-IBGZPJMESA-N 1 1 458.990 3.889 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCC(C)(F)F)cc1OC ZINC001306748271 1069537504 /nfs/dbraw/zinc/53/75/04/1069537504.db2.gz DFOFSQFUPGDIMP-IBGZPJMESA-N 1 1 479.572 3.699 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCC(C)(F)F)cc1OC ZINC001306748271 1069537508 /nfs/dbraw/zinc/53/75/08/1069537508.db2.gz DFOFSQFUPGDIMP-IBGZPJMESA-N 1 1 479.572 3.699 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1OC ZINC001306748310 1069538011 /nfs/dbraw/zinc/53/80/11/1069538011.db2.gz FGSYGDFRRMVUDQ-MHZLTWQESA-N 1 1 498.672 3.531 20 0 JHADMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786163 1069545186 /nfs/dbraw/zinc/54/51/86/1069545186.db2.gz XYDAFMRBCRKWMU-UXHICEINSA-N 1 1 454.590 3.764 20 0 JHADMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001311786163 1069545195 /nfs/dbraw/zinc/54/51/95/1069545195.db2.gz XYDAFMRBCRKWMU-UXHICEINSA-N 1 1 454.590 3.764 20 0 JHADMO C[C@H](CNC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[N@H+]1CCc2ccccc2C1 ZINC001311796157 1069549194 /nfs/dbraw/zinc/54/91/94/1069549194.db2.gz RIFXUAATTRNJQO-KCVHQNEMSA-N 1 1 456.631 3.912 20 0 JHADMO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311796499 1069549820 /nfs/dbraw/zinc/54/98/20/1069549820.db2.gz BRJLRTYFLXQTDK-KRWDZBQOSA-N 1 1 451.409 3.792 20 0 JHADMO CCCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306761840 1069562389 /nfs/dbraw/zinc/56/23/89/1069562389.db2.gz JZFBJLNOZPETIF-JOCHJYFZSA-N 1 1 454.619 3.638 20 0 JHADMO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[N@H+]1CCCO ZINC001306769000 1069569142 /nfs/dbraw/zinc/56/91/42/1069569142.db2.gz PAWZODPAJJEXJR-MRXNPFEDSA-N 1 1 454.388 3.540 20 0 JHADMO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306767002 1069568025 /nfs/dbraw/zinc/56/80/25/1069568025.db2.gz BOGPHANGUBMBTC-UHFFFAOYSA-N 1 1 454.388 3.804 20 0 JHADMO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306767002 1069568033 /nfs/dbraw/zinc/56/80/33/1069568033.db2.gz BOGPHANGUBMBTC-UHFFFAOYSA-N 1 1 454.388 3.804 20 0 JHADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC001311830572 1069567987 /nfs/dbraw/zinc/56/79/87/1069567987.db2.gz FIFMUAAILQTEHW-VWLOTQADSA-N 1 1 457.578 3.792 20 0 JHADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2cccc(CS(C)(=O)=O)c2)CCCCC1 ZINC001311831718 1069568835 /nfs/dbraw/zinc/56/88/35/1069568835.db2.gz XHUXSOGJHVUZNN-UHFFFAOYSA-N 1 1 457.640 3.865 20 0 JHADMO CCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 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CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001307055557 1069822096 /nfs/dbraw/zinc/82/20/96/1069822096.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 1 1 454.663 3.757 20 0 JHADMO O=C(N[C@H](CO)c1cccc(F)c1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312265219 1069823172 /nfs/dbraw/zinc/82/31/72/1069823172.db2.gz KEBONLSKPHHSMI-HXUWFJFHSA-N 1 1 450.352 3.585 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001307055009 1069819576 /nfs/dbraw/zinc/81/95/76/1069819576.db2.gz MWQPUBGAQZBOEU-RTWAWAEBSA-N 1 1 455.603 3.608 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001307055002 1069819752 /nfs/dbraw/zinc/81/97/52/1069819752.db2.gz MWQPUBGAQZBOEU-LEWJYISDSA-N 1 1 455.603 3.608 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001307055145 1069820722 /nfs/dbraw/zinc/82/07/22/1069820722.db2.gz OTKFSIBNBDBTAK-DENIHFKCSA-N 1 1 457.667 3.983 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC)C1 ZINC001307055972 1069824227 /nfs/dbraw/zinc/82/42/27/1069824227.db2.gz RUTFHEGNUZFORM-RTBURBONSA-N 1 1 492.462 3.824 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056114 1069825388 /nfs/dbraw/zinc/82/53/88/1069825388.db2.gz BWNIJLGONKLOFM-GMAHTHKFSA-N 1 1 468.646 3.820 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056351 1069826301 /nfs/dbraw/zinc/82/63/01/1069826301.db2.gz DKNMWNIUNIAILK-XZOQPEGZSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001307056439 1069827835 /nfs/dbraw/zinc/82/78/35/1069827835.db2.gz SWIOSIIBDSYTTP-IDISGSTGSA-N 1 1 498.672 3.579 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001307056833 1069830085 /nfs/dbraw/zinc/83/00/85/1069830085.db2.gz CJCAGKGTTUCJSQ-VXKWHMMOSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001307056890 1069830197 /nfs/dbraw/zinc/83/01/97/1069830197.db2.gz CUIULLQXQCEDIJ-HSZRJFAPSA-N 1 1 483.661 3.586 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307057051 1069831866 /nfs/dbraw/zinc/83/18/66/1069831866.db2.gz VCSXQRMMERAZCE-FGZHOGPDSA-N 1 1 473.687 3.922 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069834944 /nfs/dbraw/zinc/83/49/44/1069834944.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 1 1 474.719 3.740 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001307058173 1069835760 /nfs/dbraw/zinc/83/57/60/1069835760.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001307058173 1069835782 /nfs/dbraw/zinc/83/57/82/1069835782.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 1 1 470.662 3.757 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307058731 1069840250 /nfs/dbraw/zinc/84/02/50/1069840250.db2.gz NFYCTNBEIWIAMD-VWLOTQADSA-N 1 1 466.674 3.823 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001307058594 1069840553 /nfs/dbraw/zinc/84/05/53/1069840553.db2.gz OBJFQXMBHPUEFK-GOSISDBHSA-N 1 1 477.028 3.860 20 0 JHADMO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001314213804 1069841827 /nfs/dbraw/zinc/84/18/27/1069841827.db2.gz USNMSLLBGKDNII-NRFANRHFSA-N 1 1 455.651 3.642 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001307059559 1069846086 /nfs/dbraw/zinc/84/60/86/1069846086.db2.gz UTAPNEBGSJQRIM-QFIPXVFZSA-N 1 1 481.670 3.634 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059759 1069846896 /nfs/dbraw/zinc/84/68/96/1069846896.db2.gz ZYPXLPIXINSBMI-IRLDBZIGSA-N 1 1 473.065 3.879 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2C[C@@H](C)C[C@@H]2CC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314216288 1069849251 /nfs/dbraw/zinc/84/92/51/1069849251.db2.gz JTJUAHFQDOIDFA-SFTDATJTSA-N 1 1 471.646 3.991 20 0 JHADMO C[N@H+]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC001312306079 1069850771 /nfs/dbraw/zinc/85/07/71/1069850771.db2.gz RMLIUOBOFZHBCE-OTWHNJEPSA-N 1 1 454.315 3.505 20 0 JHADMO 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 1069851949 /nfs/dbraw/zinc/85/19/49/1069851949.db2.gz XJODLWBSKZGHCI-BZSNNMDCSA-N 1 1 456.509 3.515 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307061474 1069853013 /nfs/dbraw/zinc/85/30/13/1069853013.db2.gz GNTPGZGCTWGMEB-SJBKTWHCSA-N 1 1 483.661 3.954 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001307063737 1069863678 /nfs/dbraw/zinc/86/36/78/1069863678.db2.gz WIMKJIGRYCYFJE-HXUWFJFHSA-N 1 1 470.643 3.578 20 0 JHADMO CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001314219755 1069864520 /nfs/dbraw/zinc/86/45/20/1069864520.db2.gz UWTVNJOVENCNJR-UNMCSNQZSA-N 1 1 455.647 3.861 20 0 JHADMO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1=O ZINC001307065200 1069870339 /nfs/dbraw/zinc/87/03/39/1069870339.db2.gz ZMKOIGXKSCQSGJ-UHFFFAOYSA-N 1 1 468.646 3.667 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314222158 1069875564 /nfs/dbraw/zinc/87/55/64/1069875564.db2.gz HOBPRWJOHOEKGY-PCCBWWKXSA-N 1 1 457.619 3.601 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001307066846 1069876412 /nfs/dbraw/zinc/87/64/12/1069876412.db2.gz KTGGXKJFBSZYHR-OALUTQOASA-N 1 1 459.639 3.924 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001314222417 1069876514 /nfs/dbraw/zinc/87/65/14/1069876514.db2.gz KKVQOFNOFCUXGY-BDTNDASRSA-N 1 1 471.646 3.847 20 0 JHADMO CCCN1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+](CC)C(C)C)CC1=O ZINC001307065832 1069872616 /nfs/dbraw/zinc/87/26/16/1069872616.db2.gz RHEBOQMIUCWZRM-UHFFFAOYSA-N 1 1 461.054 3.701 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1C1(c2ccccc2)CCC1 ZINC001307065949 1069873190 /nfs/dbraw/zinc/87/31/90/1069873190.db2.gz GQONYKVUGYPLCU-HSZRJFAPSA-N 1 1 466.674 3.973 20 0 JHADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1cccc(OC(F)(F)F)c1 ZINC001312348778 1069879317 /nfs/dbraw/zinc/87/93/17/1069879317.db2.gz OHQNHMMITLSXOH-UHFFFAOYSA-N 1 1 456.896 3.860 20 0 JHADMO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358578 1069885466 /nfs/dbraw/zinc/88/54/66/1069885466.db2.gz YBDNAUPDCRMGDF-DSNGMDLFSA-N 1 1 456.675 3.820 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001307070083 1069884662 /nfs/dbraw/zinc/88/46/62/1069884662.db2.gz WSOMQPDDQSVEKD-LJQANCHMSA-N 1 1 462.589 3.684 20 0 JHADMO CC(C)(C)OCCCN1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358579 1069885166 /nfs/dbraw/zinc/88/51/66/1069885166.db2.gz YBDNAUPDCRMGDF-ISJGIBHGSA-N 1 1 456.675 3.820 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1CCCn1cc[nH+]c1C ZINC001314225718 1069892370 /nfs/dbraw/zinc/89/23/70/1069892370.db2.gz LSVSVRARGUUFBR-SFHVURJKSA-N 1 1 456.616 3.793 20 0 JHADMO COc1ccc(C)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001312383083 1069898063 /nfs/dbraw/zinc/89/80/63/1069898063.db2.gz MIWJEZUNRHBNAM-ISKFKSNPSA-N 1 1 450.627 3.741 20 0 JHADMO CCOc1ccnc(N2CCCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001314229265 1069911278 /nfs/dbraw/zinc/91/12/78/1069911278.db2.gz PXRIVVJSSBQMHN-QFIPXVFZSA-N 1 1 484.693 3.647 20 0 JHADMO C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312411415 1069917221 /nfs/dbraw/zinc/91/72/21/1069917221.db2.gz GMJQNXFRXXSXQU-PGRDOPGGSA-N 1 1 458.965 3.945 20 0 JHADMO CCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314231190 1069917551 /nfs/dbraw/zinc/91/75/51/1069917551.db2.gz GCZLWOXQQMTIGI-OYRHEFFESA-N 1 1 464.614 3.641 20 0 JHADMO CCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314231190 1069917560 /nfs/dbraw/zinc/91/75/60/1069917560.db2.gz GCZLWOXQQMTIGI-OYRHEFFESA-N 1 1 464.614 3.641 20 0 JHADMO O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1Cc1[nH+]ccn1CC(F)(F)F ZINC001307312355 1069939575 /nfs/dbraw/zinc/93/95/75/1069939575.db2.gz QCRSHWIJBRMLTR-UHFFFAOYSA-N 1 1 457.243 3.755 20 0 JHADMO CCOC1CC(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314240425 1069941790 /nfs/dbraw/zinc/94/17/90/1069941790.db2.gz OAVQZYRJHMJEQT-UHFFFAOYSA-N 1 1 477.053 3.746 20 0 JHADMO O=C(Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2)Nc1ccccc1SC(F)F ZINC001307328012 1069949882 /nfs/dbraw/zinc/94/98/82/1069949882.db2.gz VXOUYNCORAQIOK-UHFFFAOYSA-N 1 1 456.518 3.755 20 0 JHADMO O=C(Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2)Nc1ccccc1SC(F)F ZINC001307328012 1069949894 /nfs/dbraw/zinc/94/98/94/1069949894.db2.gz VXOUYNCORAQIOK-UHFFFAOYSA-N 1 1 456.518 3.755 20 0 JHADMO C[C@H](CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001312483064 1069963787 /nfs/dbraw/zinc/96/37/87/1069963787.db2.gz FUNHNOSAQNOABK-UXPWSPDFSA-N 1 1 472.527 3.636 20 0 JHADMO C[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H](O)c1c(F)cccc1Cl ZINC001312488809 1069967188 /nfs/dbraw/zinc/96/71/88/1069967188.db2.gz OXFFIWHAOBAEHM-LUQKVYGDSA-N 1 1 451.995 3.818 20 0 JHADMO C[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H](O)c1c(F)cccc1Cl ZINC001312488809 1069967196 /nfs/dbraw/zinc/96/71/96/1069967196.db2.gz OXFFIWHAOBAEHM-LUQKVYGDSA-N 1 1 451.995 3.818 20 0 JHADMO CC[N@@H+](CCNC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CCC(F)(F)F ZINC001312491746 1069970370 /nfs/dbraw/zinc/97/03/70/1069970370.db2.gz VSRQHFAHUKQTJD-UHFFFAOYSA-N 1 1 452.562 3.939 20 0 JHADMO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1(C)C ZINC001314250510 1069976345 /nfs/dbraw/zinc/97/63/45/1069976345.db2.gz CHMBHGSSDRJSJZ-FGZHOGPDSA-N 1 1 473.637 3.759 20 0 JHADMO CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1(C)C ZINC001314250510 1069976353 /nfs/dbraw/zinc/97/63/53/1069976353.db2.gz CHMBHGSSDRJSJZ-FGZHOGPDSA-N 1 1 473.637 3.759 20 0 JHADMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001307416812 1069974048 /nfs/dbraw/zinc/97/40/48/1069974048.db2.gz RARTUNPSVRZGET-RXVVDRJESA-N 1 1 452.624 3.939 20 0 JHADMO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001312501461 1069976624 /nfs/dbraw/zinc/97/66/24/1069976624.db2.gz VSEXUHQIQLKAHC-DHIUTWEWSA-N 1 1 453.583 3.539 20 0 JHADMO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2CCc2ccccc2)ccc1Cl ZINC001307418031 1069975184 /nfs/dbraw/zinc/97/51/84/1069975184.db2.gz JRFVFELKNLWDEX-IBGZPJMESA-N 1 1 450.004 3.626 20 0 JHADMO 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CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001313643386 1070794217 /nfs/dbraw/zinc/79/42/17/1070794217.db2.gz GJKKJPVQPCZHEB-UHFFFAOYSA-N 1 1 486.567 3.554 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001313643902 1070795393 /nfs/dbraw/zinc/79/53/93/1070795393.db2.gz DEWJMLMFQXQYRB-RTWAWAEBSA-N 1 1 472.703 3.747 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001313643902 1070795413 /nfs/dbraw/zinc/79/54/13/1070795413.db2.gz DEWJMLMFQXQYRB-RTWAWAEBSA-N 1 1 472.703 3.747 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](OC)C(C)C)CC1 ZINC001313644279 1070797238 /nfs/dbraw/zinc/79/72/38/1070797238.db2.gz KOXZGBQXRVFKED-QFIPXVFZSA-N 1 1 491.080 3.650 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](OC)C(C)C)CC1 ZINC001313644279 1070797260 /nfs/dbraw/zinc/79/72/60/1070797260.db2.gz KOXZGBQXRVFKED-QFIPXVFZSA-N 1 1 491.080 3.650 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2Cc2c(F)cccc2SC)CC1 ZINC001313644821 1070799640 /nfs/dbraw/zinc/79/96/40/1070799640.db2.gz KMTGBBFUIMXULV-UHFFFAOYSA-N 1 1 490.693 3.766 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2Cc2c(F)cccc2SC)CC1 ZINC001313644821 1070799648 /nfs/dbraw/zinc/79/96/48/1070799648.db2.gz KMTGBBFUIMXULV-UHFFFAOYSA-N 1 1 490.693 3.766 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC2(c3ccccc3)CC2)CC1 ZINC001313646993 1070809235 /nfs/dbraw/zinc/80/92/35/1070809235.db2.gz YMGIAVSHPLAZMO-UHFFFAOYSA-N 1 1 480.701 3.979 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC2(c3ccccc3)CC2)CC1 ZINC001313646993 1070809248 /nfs/dbraw/zinc/80/92/48/1070809248.db2.gz YMGIAVSHPLAZMO-UHFFFAOYSA-N 1 1 480.701 3.979 20 0 JHADMO CON(CC1CCOCC1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001309494190 1070808503 /nfs/dbraw/zinc/80/85/03/1070808503.db2.gz PAWKAFCHIBKHMB-LOSJGSFVSA-N 1 1 458.624 3.583 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3ccc(C)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313647075 1070812196 /nfs/dbraw/zinc/81/21/96/1070812196.db2.gz ZKGSMRIVOCIRTD-BJKOFHAPSA-N 1 1 482.673 3.763 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3ccc(C)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313647075 1070812223 /nfs/dbraw/zinc/81/22/23/1070812223.db2.gz ZKGSMRIVOCIRTD-BJKOFHAPSA-N 1 1 482.673 3.763 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC2=CCCCC2)CC1 ZINC001313647625 1070813562 /nfs/dbraw/zinc/81/35/62/1070813562.db2.gz NHWKFCVLASLQDP-UHFFFAOYSA-N 1 1 453.635 3.544 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC2=CCCCC2)CC1 ZINC001313647625 1070813597 /nfs/dbraw/zinc/81/35/97/1070813597.db2.gz NHWKFCVLASLQDP-UHFFFAOYSA-N 1 1 453.635 3.544 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(C)(C)C2)CC1 ZINC001313647941 1070814530 /nfs/dbraw/zinc/81/45/30/1070814530.db2.gz PZTXZTVDNVSYGI-UHFFFAOYSA-N 1 1 488.080 3.810 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(C)(C)C2)CC1 ZINC001313647941 1070814564 /nfs/dbraw/zinc/81/45/64/1070814564.db2.gz PZTXZTVDNVSYGI-UHFFFAOYSA-N 1 1 488.080 3.810 20 0 JHADMO CN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677922 1070825391 /nfs/dbraw/zinc/82/53/91/1070825391.db2.gz NIJNDVWDVNUGIP-FQEVSTJZSA-N 1 1 494.562 3.541 20 0 JHADMO Cc1cc(C[C@@H](C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)[nH]n1 ZINC001309533118 1070833418 /nfs/dbraw/zinc/83/34/18/1070833418.db2.gz WUQXIUQEXQZAOI-PUZWTLIVSA-N 1 1 473.042 3.890 20 0 JHADMO Cc1cc(C[C@@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC001309533118 1070833451 /nfs/dbraw/zinc/83/34/51/1070833451.db2.gz WUQXIUQEXQZAOI-PUZWTLIVSA-N 1 1 473.042 3.890 20 0 JHADMO Cc1cc(C[C@@H](C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC001309533118 1070833489 /nfs/dbraw/zinc/83/34/89/1070833489.db2.gz WUQXIUQEXQZAOI-PUZWTLIVSA-N 1 1 473.042 3.890 20 0 JHADMO CN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314684166 1070840498 /nfs/dbraw/zinc/84/04/98/1070840498.db2.gz DNHLLXIEMKQCTH-XSJBNIOMSA-N 1 1 480.682 3.988 20 0 JHADMO CN(c1nnc(-c2cnn(C)c2)n1CCSCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314688160 1070847245 /nfs/dbraw/zinc/84/72/45/1070847245.db2.gz NCPPOCLLGMYVFG-IBGZPJMESA-N 1 1 479.576 3.685 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313656808 1070853058 /nfs/dbraw/zinc/85/30/58/1070853058.db2.gz LVEXHXJMDVULBN-FCHUYYIVSA-N 1 1 479.673 3.689 20 0 JHADMO CN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1)C1CCC1 ZINC001314699259 1070864029 /nfs/dbraw/zinc/86/40/29/1070864029.db2.gz SKPZBCOTEBBENN-UHFFFAOYSA-N 1 1 454.402 3.875 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1)c1ccsc1 ZINC001313664059 1070874883 /nfs/dbraw/zinc/87/48/83/1070874883.db2.gz KKVGPWKBOYZWDG-OAQYLSRUSA-N 1 1 496.685 3.600 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314711181 1070891519 /nfs/dbraw/zinc/89/15/19/1070891519.db2.gz XQLHCKQPOVZCLW-RPWUZVMVSA-N 1 1 496.700 3.825 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1 ZINC001314712132 1070895027 /nfs/dbraw/zinc/89/50/27/1070895027.db2.gz FVZGICSPFDACSI-UHFFFAOYSA-N 1 1 493.700 3.954 20 0 JHADMO O=S(=O)(NCCC1(CO)CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309639009 1070896342 /nfs/dbraw/zinc/89/63/42/1070896342.db2.gz LCDSZGYKICUDHE-XZOQPEGZSA-N 1 1 463.043 3.780 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(C)(C)C ZINC001314713353 1070900628 /nfs/dbraw/zinc/90/06/28/1070900628.db2.gz GUYXZYYEUYZNBL-UHFFFAOYSA-N 1 1 495.676 3.542 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCSC1(C)C ZINC001314713716 1070902652 /nfs/dbraw/zinc/90/26/52/1070902652.db2.gz MWGYRDWUWQTEGJ-PMACEKPBSA-N 1 1 465.708 3.846 20 0 JHADMO CN(CC(C)(C)C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001314716057 1070905741 /nfs/dbraw/zinc/90/57/41/1070905741.db2.gz RNRYKFJXECRZOH-MOPGFXCFSA-N 1 1 487.649 3.528 20 0 JHADMO CN(CC(F)(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314716657 1070906950 /nfs/dbraw/zinc/90/69/50/1070906950.db2.gz DHHSGRXCAUEXCX-GOSISDBHSA-N 1 1 477.535 3.571 20 0 JHADMO CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001314718456 1070910356 /nfs/dbraw/zinc/91/03/56/1070910356.db2.gz UFZYIUYMYHRWJX-NRFANRHFSA-N 1 1 474.531 3.554 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccsc1 ZINC001313674887 1070914434 /nfs/dbraw/zinc/91/44/34/1070914434.db2.gz MGHOAMVCPRGPDH-NHCUHLMSSA-N 1 1 479.716 3.779 20 0 JHADMO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC)C(C)C ZINC001313676508 1070921489 /nfs/dbraw/zinc/92/14/89/1070921489.db2.gz FIXINJMRKJQQGR-RTBURBONSA-N 1 1 453.678 3.560 20 0 JHADMO CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001313681034 1070940497 /nfs/dbraw/zinc/94/04/97/1070940497.db2.gz RSIDWVHOSRWDMK-UHFFFAOYSA-N 1 1 458.570 3.931 20 0 JHADMO CN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314729975 1070946025 /nfs/dbraw/zinc/94/60/25/1070946025.db2.gz NHZYQKLIZOENII-KRWDZBQOSA-N 1 1 461.035 3.928 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314730291 1070947381 /nfs/dbraw/zinc/94/73/81/1070947381.db2.gz URYUQFTYZSMATK-QGZVFWFLSA-N 1 1 497.507 3.616 20 0 JHADMO CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001313687725 1070947447 /nfs/dbraw/zinc/94/74/47/1070947447.db2.gz XAGQJLKNWCMYEO-LJQANCHMSA-N 1 1 451.619 3.814 20 0 JHADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)c1cccc(C(F)(F)F)c1 ZINC001309741607 1070947838 /nfs/dbraw/zinc/94/78/38/1070947838.db2.gz ZNYKEAYPMXOENW-LJQANCHMSA-N 1 1 450.486 3.744 20 0 JHADMO CN(Cc1ccc(F)c(F)c1)c1nnc(C(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001314732922 1070954309 /nfs/dbraw/zinc/95/43/09/1070954309.db2.gz LYFVNRSHXQGNKE-HSZRJFAPSA-N 1 1 465.614 3.698 20 0 JHADMO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001313694241 1070956614 /nfs/dbraw/zinc/95/66/14/1070956614.db2.gz SMNSOZBJXGXDAU-NRFANRHFSA-N 1 1 471.675 3.840 20 0 JHADMO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001314735708 1070960492 /nfs/dbraw/zinc/96/04/92/1070960492.db2.gz WGKVCDAYYIWFAH-KRWDZBQOSA-N 1 1 453.484 3.838 20 0 JHADMO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001314735709 1070960629 /nfs/dbraw/zinc/96/06/29/1070960629.db2.gz WGKVCDAYYIWFAH-QGZVFWFLSA-N 1 1 453.484 3.838 20 0 JHADMO COc1ccccc1-n1cc(S(=O)(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC001309795267 1070971501 /nfs/dbraw/zinc/97/15/01/1070971501.db2.gz SOQFEIGBFAJTIW-OAQYLSRUSA-N 1 1 454.596 3.556 20 0 JHADMO 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/nfs/dbraw/zinc/53/51/56/1071535156.db2.gz XQRCGXNDXDXMEO-NZQKXSOJSA-N 1 1 496.681 3.739 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001313910583 1071535936 /nfs/dbraw/zinc/53/59/36/1071535936.db2.gz XCISZNVTXZLXDZ-RBUKOAKNSA-N 1 1 463.001 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1 ZINC001313910863 1071537217 /nfs/dbraw/zinc/53/72/17/1071537217.db2.gz ZWECHGBBNWJBCP-KRWDZBQOSA-N 1 1 493.475 3.633 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911813 1071538405 /nfs/dbraw/zinc/53/84/05/1071538405.db2.gz RGHAIEIOCFOEAI-SYYKKAFVSA-N 1 1 483.661 3.872 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911962 1071539043 /nfs/dbraw/zinc/53/90/43/1071539043.db2.gz GDLNFNWMWCUHPH-JOCHJYFZSA-N 1 1 468.646 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912210 1071539630 /nfs/dbraw/zinc/53/96/30/1071539630.db2.gz MXCDWDDDNVUCTO-HBMCJLEFSA-N 1 1 476.666 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001313914149 1071546275 /nfs/dbraw/zinc/54/62/75/1071546275.db2.gz SCUDSNOPHRRXCK-FCHUYYIVSA-N 1 1 474.719 3.922 20 0 JHADMO 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 1071549949 /nfs/dbraw/zinc/54/99/49/1071549949.db2.gz PWHQMRIHLZTOAO-PLACYPQZSA-N 1 1 476.666 3.538 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001315028531 1071556015 /nfs/dbraw/zinc/55/60/15/1071556015.db2.gz IICXISFXGRBWPS-IBGZPJMESA-N 1 1 451.619 3.509 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919711 1071557440 /nfs/dbraw/zinc/55/74/40/1071557440.db2.gz FMFGAIUGJWCAQY-RBUKOAKNSA-N 1 1 492.510 3.934 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920528 1071559468 /nfs/dbraw/zinc/55/94/68/1071559468.db2.gz KBWONYMJFKLFFX-QGZVFWFLSA-N 1 1 452.981 3.860 20 0 JHADMO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921546 1071561920 /nfs/dbraw/zinc/56/19/20/1071561920.db2.gz ORHDQZCIDNMGOD-JOCHJYFZSA-N 1 1 482.673 3.735 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926111 1071575625 /nfs/dbraw/zinc/57/56/25/1071575625.db2.gz CIVNXMSALGKODA-IBGZPJMESA-N 1 1 461.054 3.740 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926064 1071575666 /nfs/dbraw/zinc/57/56/66/1071575666.db2.gz BSPNPHNNQARLMV-OAHLLOKOSA-N 1 1 467.481 3.642 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925207 1071572841 /nfs/dbraw/zinc/57/28/41/1071572841.db2.gz MUOASVZMIZSAMQ-RTBURBONSA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925414 1071573918 /nfs/dbraw/zinc/57/39/18/1071573918.db2.gz PZOMGTAVJGBGIO-OAQYLSRUSA-N 1 1 479.673 3.771 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001313925697 1071574106 /nfs/dbraw/zinc/57/41/06/1071574106.db2.gz BBKSHDFEHWJJFO-FQEVSTJZSA-N 1 1 483.611 3.595 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926841 1071576108 /nfs/dbraw/zinc/57/61/08/1071576108.db2.gz GVKXSXXDACFYIS-NRFANRHFSA-N 1 1 454.663 3.682 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926842 1071576157 /nfs/dbraw/zinc/57/61/57/1071576157.db2.gz GVKXSXXDACFYIS-OAQYLSRUSA-N 1 1 454.663 3.682 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927089 1071578795 /nfs/dbraw/zinc/57/87/95/1071578795.db2.gz ZYVGBTVHKOCNRZ-KRWDZBQOSA-N 1 1 483.007 3.869 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927358 1071580033 /nfs/dbraw/zinc/58/00/33/1071580033.db2.gz JWMVXVZLZFFGTI-YADHBBJMSA-N 1 1 454.638 3.827 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313928328 1071583248 /nfs/dbraw/zinc/58/32/48/1071583248.db2.gz AMHIWONTPGZXCD-UXHICEINSA-N 1 1 491.080 3.991 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929006 1071585381 /nfs/dbraw/zinc/58/53/81/1071585381.db2.gz WZSSOVUIWGVIBK-GSPCLOLRSA-N 1 1 492.778 3.801 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC001313930483 1071589541 /nfs/dbraw/zinc/58/95/41/1071589541.db2.gz DAKMGBUZWBXCNZ-IBGZPJMESA-N 1 1 453.587 3.841 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@@H]1C ZINC001313930885 1071590247 /nfs/dbraw/zinc/59/02/47/1071590247.db2.gz CZUWPWRBOXDNEG-NBGIEHNGSA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC001313931504 1071592563 /nfs/dbraw/zinc/59/25/63/1071592563.db2.gz FATPEZOROUPNHH-RLWLMLJZSA-N 1 1 471.646 3.685 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931342 1071591882 /nfs/dbraw/zinc/59/18/82/1071591882.db2.gz XYALSEZLNJEXTL-UNMCSNQZSA-N 1 1 458.651 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC2CCCC2)C[C@@H]1C ZINC001313931723 1071593322 /nfs/dbraw/zinc/59/33/22/1071593322.db2.gz HHGCBPBIVCQIRB-FQEVSTJZSA-N 1 1 488.702 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC001313932277 1071594978 /nfs/dbraw/zinc/59/49/78/1071594978.db2.gz HUIXLMHFWSUTHB-CQSZACIVSA-N 1 1 477.382 3.762 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313932547 1071595482 /nfs/dbraw/zinc/59/54/82/1071595482.db2.gz IHTBSALGUJSVKW-BXKMTCNYSA-N 1 1 481.563 3.509 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001313932709 1071596275 /nfs/dbraw/zinc/59/62/75/1071596275.db2.gz ITHBCICKSUXDQA-OAHLLOKOSA-N 1 1 456.616 3.614 20 0 JHADMO 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 1071601096 /nfs/dbraw/zinc/60/10/96/1071601096.db2.gz QIQGCXRNLYHGEB-RTBURBONSA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C[C@H]1C ZINC001313934322 1071602379 /nfs/dbraw/zinc/60/23/79/1071602379.db2.gz UCCGHAUZBOJYKM-SJLPKXTDSA-N 1 1 476.419 3.592 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313934503 1071602967 /nfs/dbraw/zinc/60/29/67/1071602967.db2.gz ASECRUFXBYQIQB-ONTIZHBOSA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313936829 1071609648 /nfs/dbraw/zinc/60/96/48/1071609648.db2.gz IJQTZQOMSGROHU-SIKLNZKXSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313935530 1071605928 /nfs/dbraw/zinc/60/59/28/1071605928.db2.gz XRGXFVFMUUGIAT-MRXNPFEDSA-N 1 1 460.504 3.946 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001313936544 1071608561 /nfs/dbraw/zinc/60/85/61/1071608561.db2.gz PYVJIKQLBZWQKV-GHTZIAJQSA-N 1 1 455.006 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnc(C)s2)C[C@@H]1C ZINC001313938694 1071612177 /nfs/dbraw/zinc/61/21/77/1071612177.db2.gz WQFOKUZUFSMHFP-KRWDZBQOSA-N 1 1 489.690 3.736 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313938682 1071612211 /nfs/dbraw/zinc/61/22/11/1071612211.db2.gz WHHAZLARMCEZEL-APWZRJJASA-N 1 1 464.010 3.769 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313938989 1071612806 /nfs/dbraw/zinc/61/28/06/1071612806.db2.gz ZFVMEMSKXRUZIS-UZLBHIALSA-N 1 1 451.974 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313940537 1071615641 /nfs/dbraw/zinc/61/56/41/1071615641.db2.gz NGONWNSLGBXMNI-QGZVFWFLSA-N 1 1 458.969 3.666 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313939415 1071613527 /nfs/dbraw/zinc/61/35/27/1071613527.db2.gz DKQJFIQXEGBWGD-BEFAXECRSA-N 1 1 450.509 3.924 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001313940014 1071614060 /nfs/dbraw/zinc/61/40/60/1071614060.db2.gz JQAWUGFAJZFDKG-NBGIEHNGSA-N 1 1 492.064 3.587 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313940110 1071614183 /nfs/dbraw/zinc/61/41/83/1071614183.db2.gz VMXMUXBYLMORPA-INIZCTEOSA-N 1 1 459.019 3.620 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313940342 1071614894 /nfs/dbraw/zinc/61/48/94/1071614894.db2.gz WCZGRACUBPUNFH-PMACEKPBSA-N 1 1 469.634 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001313940522 1071615008 /nfs/dbraw/zinc/61/50/08/1071615008.db2.gz MYDRFENNPAOZRF-IBGZPJMESA-N 1 1 464.054 3.943 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313941292 1071616224 /nfs/dbraw/zinc/61/62/24/1071616224.db2.gz BAASIBOIMQYKHR-QHCPKHFHSA-N 1 1 454.663 3.736 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942801 1071621486 /nfs/dbraw/zinc/62/14/86/1071621486.db2.gz ODVCETRTRZBNTK-SFTDATJTSA-N 1 1 486.661 3.857 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCSC2)C[C@H]1C ZINC001313941192 1071616300 /nfs/dbraw/zinc/61/63/00/1071616300.db2.gz AHVKQQVNRTZVGT-SJORKVTESA-N 1 1 480.476 3.903 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942070 1071619007 /nfs/dbraw/zinc/61/90/07/1071619007.db2.gz HIWLBRLGGXAYCM-ICSRJNTNSA-N 1 1 469.552 3.972 20 0 JHADMO 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 1071619091 /nfs/dbraw/zinc/61/90/91/1071619091.db2.gz FRIPOHLGZCCAQJ-RTWAWAEBSA-N 1 1 486.661 3.918 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001313942772 1071621367 /nfs/dbraw/zinc/62/13/67/1071621367.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 1 1 498.716 3.532 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001313942772 1071621369 /nfs/dbraw/zinc/62/13/69/1071621369.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 1 1 498.716 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOCC(C)C)C[C@H]1C ZINC001313945302 1071626277 /nfs/dbraw/zinc/62/62/77/1071626277.db2.gz ZXVFMUJRNBATQU-OAQYLSRUSA-N 1 1 495.672 3.829 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945895 1071627426 /nfs/dbraw/zinc/62/74/26/1071627426.db2.gz WZMCWMBNNNCQID-IRLDBZIGSA-N 1 1 458.626 3.820 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001313943443 1071622610 /nfs/dbraw/zinc/62/26/10/1071622610.db2.gz SIARAINFYFWXHR-GCJKJVERSA-N 1 1 469.584 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001313943445 1071623227 /nfs/dbraw/zinc/62/32/27/1071623227.db2.gz SIARAINFYFWXHR-XMSQKQJNSA-N 1 1 469.584 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001313943998 1071624471 /nfs/dbraw/zinc/62/44/71/1071624471.db2.gz XVCUSTIOQJEZMC-NRFANRHFSA-N 1 1 480.661 3.581 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944201 1071624554 /nfs/dbraw/zinc/62/45/54/1071624554.db2.gz YRZTXWMEGYNSHU-IBGZPJMESA-N 1 1 494.606 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313946116 1071627929 /nfs/dbraw/zinc/62/79/29/1071627929.db2.gz NOSPKOZSBYAXFY-IBGZPJMESA-N 1 1 455.006 3.835 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946689 1071629191 /nfs/dbraw/zinc/62/91/91/1071629191.db2.gz TYKAAXFHKLEUKT-UXHICEINSA-N 1 1 486.661 3.663 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629923 /nfs/dbraw/zinc/62/99/23/1071629923.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 1 1 484.689 3.764 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629924 /nfs/dbraw/zinc/62/99/24/1071629924.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 1 1 484.689 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001313946839 1071630381 /nfs/dbraw/zinc/63/03/81/1071630381.db2.gz CXRSKLLEZXSTBI-HXUWFJFHSA-N 1 1 486.686 3.512 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313947129 1071631067 /nfs/dbraw/zinc/63/10/67/1071631067.db2.gz FQWLIEIWGYJXGV-SFTDATJTSA-N 1 1 498.676 3.778 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313948769 1071633914 /nfs/dbraw/zinc/63/39/14/1071633914.db2.gz RONRTNTVGUDWBA-OFNKIYASSA-N 1 1 486.730 3.948 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947857 1071632843 /nfs/dbraw/zinc/63/28/43/1071632843.db2.gz CYGJKPFPLUSSOM-QHCPKHFHSA-N 1 1 468.690 3.776 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634508 /nfs/dbraw/zinc/63/45/08/1071634508.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634510 /nfs/dbraw/zinc/63/45/10/1071634510.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948921 1071634547 /nfs/dbraw/zinc/63/45/47/1071634547.db2.gz USZDWEVJLLPDTL-HSZRJFAPSA-N 1 1 456.654 3.810 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313950008 1071637660 /nfs/dbraw/zinc/63/76/60/1071637660.db2.gz SKMMPAHQSGRRQX-LJQANCHMSA-N 1 1 469.609 3.736 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3CC(C)(C)SC)C2)CC1 ZINC001313950496 1071638765 /nfs/dbraw/zinc/63/87/65/1071638765.db2.gz UGVQFBLAKXHBSD-QFIPXVFZSA-N 1 1 486.730 3.832 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001313951745 1071643004 /nfs/dbraw/zinc/64/30/04/1071643004.db2.gz VTYQTBYQXAXFKF-GOSISDBHSA-N 1 1 474.078 3.965 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313952402 1071645749 /nfs/dbraw/zinc/64/57/49/1071645749.db2.gz FJYQLQBFKXIOKL-IBGZPJMESA-N 1 1 483.611 3.837 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952696 1071646533 /nfs/dbraw/zinc/64/65/33/1071646533.db2.gz UBUJEXVHFNAAES-ZJSXRUAMSA-N 1 1 472.653 3.895 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952953 1071647120 /nfs/dbraw/zinc/64/71/20/1071647120.db2.gz VIHUBOVCXFTNSR-YTFSRNRJSA-N 1 1 458.695 3.627 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313953501 1071647688 /nfs/dbraw/zinc/64/76/88/1071647688.db2.gz HLSLHGCKVHJKLL-FCHUYYIVSA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313953749 1071649558 /nfs/dbraw/zinc/64/95/58/1071649558.db2.gz KRASRCNWVWXCQY-IBGZPJMESA-N 1 1 492.590 3.926 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954254 1071651251 /nfs/dbraw/zinc/65/12/51/1071651251.db2.gz MNBIMWHTIGEXQH-VWPQPMDRSA-N 1 1 490.643 3.921 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955931 1071656768 /nfs/dbraw/zinc/65/67/68/1071656768.db2.gz IZLSPASGEVNMNN-FQEVSTJZSA-N 1 1 469.703 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1 ZINC001313954646 1071652471 /nfs/dbraw/zinc/65/24/71/1071652471.db2.gz QKDRZVLWZMLPGP-UHFFFAOYSA-N 1 1 493.519 3.679 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954833 1071652947 /nfs/dbraw/zinc/65/29/47/1071652947.db2.gz QCXJQXBCQKDUGF-GDVWVFDVSA-N 1 1 486.730 3.754 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313955011 1071653766 /nfs/dbraw/zinc/65/37/66/1071653766.db2.gz RQBOLYUUGQDCPA-UHFFFAOYSA-N 1 1 489.590 3.755 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955204 1071654787 /nfs/dbraw/zinc/65/47/87/1071654787.db2.gz QJNAHHRLOFCNST-OFNKIYASSA-N 1 1 472.653 3.609 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313955477 1071655489 /nfs/dbraw/zinc/65/54/89/1071655489.db2.gz UUXAZASHOJWUPM-UHFFFAOYSA-N 1 1 469.584 3.672 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313958088 1071662463 /nfs/dbraw/zinc/66/24/63/1071662463.db2.gz TVWZPJATRNKEHW-KNQAVFIVSA-N 1 1 491.775 3.629 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313956764 1071657907 /nfs/dbraw/zinc/65/79/07/1071657907.db2.gz KUMVMHCDUUCMNW-LEWJYISDSA-N 1 1 458.626 3.536 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001313956712 1071658030 /nfs/dbraw/zinc/65/80/30/1071658030.db2.gz KAXGTSDNWFGNME-UHFFFAOYSA-N 1 1 468.690 3.897 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956533 1071658170 /nfs/dbraw/zinc/65/81/70/1071658170.db2.gz HBFYOYUAQAERQK-UHFFFAOYSA-N 1 1 468.049 3.966 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957262 1071659991 /nfs/dbraw/zinc/65/99/91/1071659991.db2.gz QCJIZCJSYSMEKL-SIKLNZKXSA-N 1 1 484.718 3.672 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc4c(c3)OCCO4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313957394 1071660089 /nfs/dbraw/zinc/66/00/89/1071660089.db2.gz FIHWWHJEHMQULD-UHFFFAOYSA-N 1 1 470.662 3.615 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313957920 1071661822 /nfs/dbraw/zinc/66/18/22/1071661822.db2.gz SBVSDERGOUVAIU-SMIHKQSGSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313958037 1071662995 /nfs/dbraw/zinc/66/29/95/1071662995.db2.gz NRCMNJDHYJGHNJ-UHFFFAOYSA-N 1 1 452.603 3.519 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313958123 1071663151 /nfs/dbraw/zinc/66/31/51/1071663151.db2.gz UJKFYMMGUXXZTH-RJGXRXQPSA-N 1 1 486.730 3.769 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313958473 1071664174 /nfs/dbraw/zinc/66/41/74/1071664174.db2.gz XCIKGDCSGURNBY-NTKDMRAZSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313958928 1071665022 /nfs/dbraw/zinc/66/50/22/1071665022.db2.gz YVKWRMLIGBOFMX-YTFSRNRJSA-N 1 1 486.730 3.769 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313960182 1071669250 /nfs/dbraw/zinc/66/92/50/1071669250.db2.gz FQEICYLWYFODFK-FCHUYYIVSA-N 1 1 456.704 3.535 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313960792 1071671182 /nfs/dbraw/zinc/67/11/82/1071671182.db2.gz MPWLMDKGRNCHST-XZOQPEGZSA-N 1 1 454.663 3.736 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313961081 1071671570 /nfs/dbraw/zinc/67/15/70/1071671570.db2.gz QBZGGNSBVXGFCI-NHCUHLMSSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313961946 1071673821 /nfs/dbraw/zinc/67/38/21/1071673821.db2.gz ZYFIUGKZRLTBLC-DEOSSOPVSA-N 1 1 468.690 3.984 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313977294 1071710312 /nfs/dbraw/zinc/71/03/12/1071710312.db2.gz LLCPLEIIVBLGEA-LJQANCHMSA-N 1 1 458.676 3.572 20 0 JHADMO CCNC(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001313982587 1071719303 /nfs/dbraw/zinc/71/93/03/1071719303.db2.gz CAUSMVLJHVUZON-DEOSSOPVSA-N 1 1 482.673 3.874 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001313993783 1071728234 /nfs/dbraw/zinc/72/82/34/1071728234.db2.gz NWGYKTFURBXTJA-DHIUTWEWSA-N 1 1 467.662 3.546 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001313996110 1071732627 /nfs/dbraw/zinc/73/26/27/1071732627.db2.gz JQQLIXGENAZCEK-JOCHJYFZSA-N 1 1 497.688 3.706 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001313995412 1071731667 /nfs/dbraw/zinc/73/16/67/1071731667.db2.gz CVPQGCQDFODVQF-QFIPXVFZSA-N 1 1 497.688 3.563 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001314016234 1071759758 /nfs/dbraw/zinc/75/97/58/1071759758.db2.gz NLIKVUCGSPUXRJ-GOSISDBHSA-N 1 1 472.609 3.548 20 0 JHADMO 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 1071763605 /nfs/dbraw/zinc/76/36/05/1071763605.db2.gz WGJWEDONFIQNEV-VLCRHTCISA-N 1 1 490.693 3.737 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314029674 1071799296 /nfs/dbraw/zinc/79/92/96/1071799296.db2.gz CSJLFJSAGFGJLG-RBBKRZOGSA-N 1 1 479.629 3.519 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001314037081 1071829719 /nfs/dbraw/zinc/82/97/19/1071829719.db2.gz JVDZMSTULZPQJI-GOTSBHOMSA-N 1 1 486.636 3.987 20 0 JHADMO CCOC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314042264 1071848236 /nfs/dbraw/zinc/84/82/36/1071848236.db2.gz UHKLMKCMQOYVJZ-NRFANRHFSA-N 1 1 498.672 3.652 20 0 JHADMO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001314045650 1071861710 /nfs/dbraw/zinc/86/17/10/1071861710.db2.gz ROZWMLMEUSDAML-DFBJGRDBSA-N 1 1 475.609 3.673 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001314053921 1071877259 /nfs/dbraw/zinc/87/72/59/1071877259.db2.gz DIIXHNOLPUBVGO-FYYLOGMGSA-N 1 1 471.646 3.528 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001314054529 1071879023 /nfs/dbraw/zinc/87/90/23/1071879023.db2.gz JHCBIRRXBVXNRS-AREMUKBSSA-N 1 1 471.646 3.590 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001314082654 1071947075 /nfs/dbraw/zinc/94/70/75/1071947075.db2.gz NGTKEEXOVRPOFP-RDGATRHJSA-N 1 1 492.064 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083050 1071947619 /nfs/dbraw/zinc/94/76/19/1071947619.db2.gz GZYRCYJTFXXQPR-NBGIEHNGSA-N 1 1 477.600 3.965 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314088066 1071962199 /nfs/dbraw/zinc/96/21/99/1071962199.db2.gz DDGDSSNKRHEMAZ-UUOWRZLLSA-N 1 1 476.691 3.842 20 0 JHADMO 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CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001306618617 1069302176 /nfs/dbraw/zinc/30/21/76/1069302176.db2.gz GFYBWFQBGPKEBC-YWEHKCAJSA-N 1 1 499.700 3.985 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001306619467 1069303696 /nfs/dbraw/zinc/30/36/96/1069303696.db2.gz BEZMDFMMCLLAOS-UGKGYDQZSA-N 1 1 467.593 3.615 20 0 JHADMO CCC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc3c2OCCCO3)CC[N@H+]1CCOC ZINC001306620360 1069306730 /nfs/dbraw/zinc/30/67/30/1069306730.db2.gz YIQOOWIVZSSJSS-NRFANRHFSA-N 1 1 457.619 3.548 20 0 JHADMO C[C@H]1CN(C(=O)c2ccc(CNC(=O)Nc3cc[nH+]c(N4CCCCC4)c3)cc2)C[C@H](C)O1 ZINC001311246558 1069307389 /nfs/dbraw/zinc/30/73/89/1069307389.db2.gz PGAGEBRJABRCOW-OALUTQOASA-N 1 1 451.571 3.643 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CC[N@H+]1CCOC ZINC001306621067 1069308049 /nfs/dbraw/zinc/30/80/49/1069308049.db2.gz VVRFZQVMKYGZGB-IAGOWNOFSA-N 1 1 498.491 3.885 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001306620858 1069308382 /nfs/dbraw/zinc/30/83/82/1069308382.db2.gz SJGIUOQSZNSXAP-NRFANRHFSA-N 1 1 453.587 3.841 20 0 JHADMO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001164411225 718876078 /nfs/dbraw/zinc/87/60/78/718876078.db2.gz OGVKPYHRJVTJTO-DLBZAZTESA-N 1 1 479.940 3.570 20 0 JHADMO Cc1cccc(CN2C(=O)COC3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC3)[C@H]2C)n1 ZINC001164427868 718951315 /nfs/dbraw/zinc/95/13/15/718951315.db2.gz GXLVUGKUHOLAQY-HXUWFJFHSA-N 1 1 484.044 3.821 20 0 JHADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC001164629438 719098071 /nfs/dbraw/zinc/09/80/71/719098071.db2.gz SCATZNVGPKMOOQ-AHWVRZQESA-N 1 1 454.622 3.904 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)n1 ZINC001164651901 719304974 /nfs/dbraw/zinc/30/49/74/719304974.db2.gz MRWRBULSNYXSOH-SFYKDHMMSA-N 1 1 471.671 3.756 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCCO[C@@H]3[C@@H](N3CCCC3=O)C2)n1 ZINC001164651909 719304981 /nfs/dbraw/zinc/30/49/81/719304981.db2.gz MRWRBULSNYXSOH-YDHSSHFGSA-N 1 1 471.671 3.756 20 0 JHADMO O=C1CCCN1[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C[C@H]2CCCO[C@@H]21 ZINC001164656889 719305128 /nfs/dbraw/zinc/30/51/28/719305128.db2.gz ZDISDOWNDXWEGT-BSWQBHCVSA-N 1 1 495.693 3.772 20 0 JHADMO O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164652596 719324403 /nfs/dbraw/zinc/32/44/03/719324403.db2.gz CLUAJMYCKKADSQ-KSCKTEMCSA-N 1 1 460.622 3.540 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2)CC1 ZINC001164679146 719530538 /nfs/dbraw/zinc/53/05/38/719530538.db2.gz ULHGYLMGZSVHDK-UHFFFAOYSA-N 1 1 454.590 3.565 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)c2c1C ZINC001164677087 719542060 /nfs/dbraw/zinc/54/20/60/719542060.db2.gz BOMOHUBHOOBSTO-VAMGGRTRSA-N 1 1 469.655 3.510 20 0 JHADMO CC(C)Oc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684444 719671212 /nfs/dbraw/zinc/67/12/12/719671212.db2.gz UEHYCZFDYNCKEX-OAQYLSRUSA-N 1 1 450.627 3.962 20 0 JHADMO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4[nH]cnc4cc3Cl)CC2)c2ccccc21 ZINC001164685532 719672463 /nfs/dbraw/zinc/67/24/63/719672463.db2.gz VHBYCOVUVLAZCW-QGZVFWFLSA-N 1 1 467.017 3.705 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164690105 719739140 /nfs/dbraw/zinc/73/91/40/719739140.db2.gz SSPQXZXYRMLQCA-UHFFFAOYSA-N 1 1 496.725 3.737 20 0 JHADMO CN1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)COc2ccccc2S1(=O)=O ZINC001164690466 719779295 /nfs/dbraw/zinc/77/92/95/719779295.db2.gz CIRYWAHGWVQQRJ-UHFFFAOYSA-N 1 1 491.057 3.631 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccsc4c(N4CCOCC4)n2)CC3)cs1 ZINC001164692242 719805472 /nfs/dbraw/zinc/80/54/72/719805472.db2.gz MDMQNSZRGRVIMB-UHFFFAOYSA-N 1 1 470.668 3.928 20 0 JHADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)Cc2cn(C)nc21 ZINC001164694968 719832385 /nfs/dbraw/zinc/83/23/85/719832385.db2.gz JVXOBWCIUXHKFO-KRWDZBQOSA-N 1 1 452.628 3.650 20 0 JHADMO COC[C@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)Cc2cn(C)nc21 ZINC001164695064 719832711 /nfs/dbraw/zinc/83/27/11/719832711.db2.gz KRYHVYTVYZVIAL-GOSISDBHSA-N 1 1 466.655 3.896 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccc(OC)c2)nc2ccccc21 ZINC001164707224 719872668 /nfs/dbraw/zinc/87/26/68/719872668.db2.gz RLGRDDKEWDJXDV-NFQMXDRXSA-N 1 1 476.577 3.538 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)nc2cc(F)cc(F)c21 ZINC001164707855 719877706 /nfs/dbraw/zinc/87/77/06/719877706.db2.gz WGJVBWCVZKDYFM-IVZQSRNASA-N 1 1 453.917 3.708 20 0 JHADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696183 719896475 /nfs/dbraw/zinc/89/64/75/719896475.db2.gz ATCKSOZFTNIAJY-PLNGDYQASA-N 1 1 452.580 3.682 20 0 JHADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CC[C@H](C)C5)C3)n1 ZINC001164808088 720060199 /nfs/dbraw/zinc/06/01/99/720060199.db2.gz WVPYNZCUGKWEOB-ZTBAGHRESA-N 1 1 494.665 3.898 20 0 JHADMO Cc1noc([C@@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164804648 720060468 /nfs/dbraw/zinc/06/04/68/720060468.db2.gz MJBJLOOLDLCKJR-NSYGIPOTSA-N 1 1 480.638 3.652 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CC(=O)N5c3cnn(C)c3)n2)CCC4)CC1 ZINC001164713308 720074510 /nfs/dbraw/zinc/07/45/10/720074510.db2.gz SJRKLQYPUQJMGK-PMACEKPBSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)C2 ZINC001164814269 720086944 /nfs/dbraw/zinc/08/69/44/720086944.db2.gz WKLBCPZLBOSFBA-BKMJKUGQSA-N 1 1 469.029 3.850 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)CC2 ZINC001164712547 720097540 /nfs/dbraw/zinc/09/75/40/720097540.db2.gz WYOSYKJBOOSYLU-FQEVSTJZSA-N 1 1 496.011 3.972 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CC2 ZINC001164716335 720109557 /nfs/dbraw/zinc/10/95/57/720109557.db2.gz KHRAQLOBFPDFHG-LJQANCHMSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164719087 720112166 /nfs/dbraw/zinc/11/21/66/720112166.db2.gz VSFNGVKFULGLES-QHCPKHFHSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164718539 720113786 /nfs/dbraw/zinc/11/37/86/720113786.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 1 1 498.675 3.937 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164712155 720134583 /nfs/dbraw/zinc/13/45/83/720134583.db2.gz KOLTUQBSPUBHNC-MRXNPFEDSA-N 1 1 469.989 3.866 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819040 720148803 /nfs/dbraw/zinc/14/88/03/720148803.db2.gz VQOXPSVUJWWCFL-IERDGZPVSA-N 1 1 452.933 3.893 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164818767 720160240 /nfs/dbraw/zinc/16/02/40/720160240.db2.gz UOFZTYLWOBOZBO-GCJKJVERSA-N 1 1 463.960 3.922 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826716 720389405 /nfs/dbraw/zinc/38/94/05/720389405.db2.gz XMBIEJWGVHVSAV-ISJGIBHGSA-N 1 1 477.634 3.753 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826716 720389410 /nfs/dbraw/zinc/38/94/10/720389410.db2.gz XMBIEJWGVHVSAV-ISJGIBHGSA-N 1 1 477.634 3.753 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735892 720417180 /nfs/dbraw/zinc/41/71/80/720417180.db2.gz ZBQPRDJNDXHTMN-NHCUHLMSSA-N 1 1 453.587 3.606 20 0 JHADMO O=S(=O)(c1ccccc1)n1c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734723 720424136 /nfs/dbraw/zinc/42/41/36/720424136.db2.gz TUWPSGUYPAOKCR-SFTDATJTSA-N 1 1 495.008 3.570 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840741 720513621 /nfs/dbraw/zinc/51/36/21/720513621.db2.gz XJTRRGIHNPLFQF-HRCADAONSA-N 1 1 456.994 3.971 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cnc1Cl ZINC001164837838 720527359 /nfs/dbraw/zinc/52/73/59/720527359.db2.gz POJVHIBDURZXDC-VDZJLULYSA-N 1 1 467.948 3.641 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734634 720538362 /nfs/dbraw/zinc/53/83/62/720538362.db2.gz JQDXHVHWGAHDGB-LXFBAYGMSA-N 1 1 471.605 3.884 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734634 720538364 /nfs/dbraw/zinc/53/83/64/720538364.db2.gz JQDXHVHWGAHDGB-LXFBAYGMSA-N 1 1 471.605 3.884 20 0 JHADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833813 720543085 /nfs/dbraw/zinc/54/30/85/720543085.db2.gz BTGLEYRNJANZLB-IVGWJTKZSA-N 1 1 492.672 3.531 20 0 JHADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1OC ZINC001164840811 720549094 /nfs/dbraw/zinc/54/90/94/720549094.db2.gz UCHUYNBGBLUNCI-ABSDTBQOSA-N 1 1 471.005 3.875 20 0 JHADMO 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 ZINC001164839529 720557659 /nfs/dbraw/zinc/55/76/59/720557659.db2.gz QHWKFEWRRGYYOQ-FGTMMUONSA-N 1 1 467.948 3.641 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841388 720558194 /nfs/dbraw/zinc/55/81/94/720558194.db2.gz USSOEQGQBWIAHY-PWRODBHTSA-N 1 1 459.038 3.791 20 0 JHADMO COC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH]c(Cl)cc-2n1 ZINC001164833568 720575989 /nfs/dbraw/zinc/57/59/89/720575989.db2.gz AGFULHGEIPOVOW-JXXFODFXSA-N 1 1 456.978 3.577 20 0 JHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c(OC)c1 ZINC001164843265 720623564 /nfs/dbraw/zinc/62/35/64/720623564.db2.gz XGAVVEUWXVKWJR-YOSAUDMPSA-N 1 1 462.598 3.735 20 0 JHADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738963 720663899 /nfs/dbraw/zinc/66/38/99/720663899.db2.gz LQRJLFGFLWYPFB-DHIUTWEWSA-N 1 1 450.546 3.943 20 0 JHADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164841027 720701852 /nfs/dbraw/zinc/70/18/52/720701852.db2.gz HCPKFMLJFNAMSC-DEOSSOPVSA-N 1 1 493.652 3.516 20 0 JHADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836483 720713940 /nfs/dbraw/zinc/71/39/40/720713940.db2.gz BHQNDJBKSSEMLU-RPWUZVMVSA-N 1 1 493.652 3.516 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839848 720714592 /nfs/dbraw/zinc/71/45/92/720714592.db2.gz NTRRJADNVAJATG-JTHBVZDNSA-N 1 1 486.682 3.808 20 0 JHADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741156 720763898 /nfs/dbraw/zinc/76/38/98/720763898.db2.gz MKMQIAQQZWRDRM-JKSUJKDBSA-N 1 1 450.593 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C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)O2)CC1 ZINC001164894100 721393219 /nfs/dbraw/zinc/39/32/19/721393219.db2.gz XQYQUVKVUZHWSO-PGRDOPGGSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885196 721410260 /nfs/dbraw/zinc/41/02/60/721410260.db2.gz GEKWBRHZCLCWPO-JTSKRJEESA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)O2)CC1 ZINC001164883472 721411721 /nfs/dbraw/zinc/41/17/21/721411721.db2.gz ABBVTAMTSLYZLL-IERDGZPVSA-N 1 1 453.965 3.527 20 0 JHADMO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@H](CN2CC[NH+](C)CC2)O4)n1)CCC3 ZINC001164890758 721433227 /nfs/dbraw/zinc/43/32/27/721433227.db2.gz FEKIXHWDAHHFSZ-CJAUYULYSA-N 1 1 455.672 3.508 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896864 721444109 /nfs/dbraw/zinc/44/41/09/721444109.db2.gz SGUNXTXSNGZUGK-UHSQPCAPSA-N 1 1 490.696 3.899 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164785199 721448384 /nfs/dbraw/zinc/44/83/84/721448384.db2.gz HBXCUEVFZFFOLL-HXUWFJFHSA-N 1 1 466.022 3.646 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4F)C3)O2)CC1 ZINC001164884441 721448500 /nfs/dbraw/zinc/44/85/00/721448500.db2.gz BFKNEEUTQXMPNZ-UUOWRZLLSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)C3)O2)CC1 ZINC001164884425 721450370 /nfs/dbraw/zinc/45/03/70/721450370.db2.gz BDVRUXUIKLBEHI-GBXCKJPGSA-N 1 1 475.996 3.827 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164889065 721451059 /nfs/dbraw/zinc/45/10/59/721451059.db2.gz NHCZHQABFWAFFO-PXDATVDWSA-N 1 1 488.032 3.696 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164787771 721454053 /nfs/dbraw/zinc/45/40/53/721454053.db2.gz QHDKVVAKINJTJQ-FQEVSTJZSA-N 1 1 475.634 3.558 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164790084 721462992 /nfs/dbraw/zinc/46/29/92/721462992.db2.gz ZRACPHGLCHKECZ-IBGZPJMESA-N 1 1 458.578 3.511 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164784507 721463676 /nfs/dbraw/zinc/46/36/76/721463676.db2.gz INPKIYNRLWVUMC-KRWDZBQOSA-N 1 1 463.673 3.542 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164783611 721464070 /nfs/dbraw/zinc/46/40/70/721464070.db2.gz DTQLXDINHQSRBS-RUZDIDTESA-N 1 1 479.669 3.944 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164788030 721467954 /nfs/dbraw/zinc/46/79/54/721467954.db2.gz HQIOCSDZPLAGLA-JOCHJYFZSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164790131 721469437 /nfs/dbraw/zinc/46/94/37/721469437.db2.gz ROYNSJNPIMWDPB-JOCHJYFZSA-N 1 1 496.652 3.895 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)c2c1C ZINC001164789063 721482254 /nfs/dbraw/zinc/48/22/54/721482254.db2.gz AQQVJEFFAIKDSB-HBMCJLEFSA-N 1 1 499.681 3.689 20 0 JHADMO c1cnn(C[C@@H]2Cn3ccnc3CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C2)c1 ZINC001164894239 721487052 /nfs/dbraw/zinc/48/70/52/721487052.db2.gz GVIQYELDZMLMTQ-LJQANCHMSA-N 1 1 488.665 3.896 20 0 JHADMO CC(=O)Oc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC(C)=O ZINC001164796695 721497647 /nfs/dbraw/zinc/49/76/47/721497647.db2.gz VLGYGTWMVHAVGY-UHFFFAOYSA-N 1 1 489.576 3.756 20 0 JHADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164901450 721525274 /nfs/dbraw/zinc/52/52/74/721525274.db2.gz XJZAWBHUPLZFSU-WBVHZDCISA-N 1 1 455.864 3.548 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164906754 721531231 /nfs/dbraw/zinc/53/12/31/721531231.db2.gz LENXGPQJIUSOCV-HOCLYGCPSA-N 1 1 455.864 3.548 20 0 JHADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905211 721534274 /nfs/dbraw/zinc/53/42/74/721534274.db2.gz GQGWJOKSKOERPN-PKOBYXMFSA-N 1 1 464.969 3.553 20 0 JHADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164908828 721534431 /nfs/dbraw/zinc/53/44/31/721534431.db2.gz QRZPRYBEYMGEHM-GGAORHGYSA-N 1 1 492.599 3.729 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164903903 721549764 /nfs/dbraw/zinc/54/97/64/721549764.db2.gz DIIOAISLPVEDTC-WBVHZDCISA-N 1 1 469.891 3.938 20 0 JHADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906488 721556154 /nfs/dbraw/zinc/55/61/54/721556154.db2.gz JRHRZDVSJDNWEV-CTNGQTDRSA-N 1 1 458.965 3.842 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164905896 721558381 /nfs/dbraw/zinc/55/83/81/721558381.db2.gz HXRGBDUUSSXIGD-IFMALSPDSA-N 1 1 462.525 3.786 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164798177 721568907 /nfs/dbraw/zinc/56/89/07/721568907.db2.gz ANLGHGRFBAIHKG-VABKMULXSA-N 1 1 497.640 3.621 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164798177 721568910 /nfs/dbraw/zinc/56/89/10/721568910.db2.gz ANLGHGRFBAIHKG-VABKMULXSA-N 1 1 497.640 3.621 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164811339 721588613 /nfs/dbraw/zinc/58/86/13/721588613.db2.gz XKUOXUGYRFYFSX-FBLLAGFSSA-N 1 1 465.985 3.972 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164811339 721588615 /nfs/dbraw/zinc/58/86/15/721588615.db2.gz XKUOXUGYRFYFSX-FBLLAGFSSA-N 1 1 465.985 3.972 20 0 JHADMO Cc1cccc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3C2=O)n1 ZINC001164798764 721602417 /nfs/dbraw/zinc/60/24/17/721602417.db2.gz IEWLUPPXQPUNJA-IAPPQJPRSA-N 1 1 497.643 3.597 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1 ZINC001164803300 721603263 /nfs/dbraw/zinc/60/32/63/721603263.db2.gz VEGPHQUSNMRLER-NXCFDTQHSA-N 1 1 477.653 3.976 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)c2)CC1 ZINC001164798760 721605745 /nfs/dbraw/zinc/60/57/45/721605745.db2.gz IBEFKMRXZDDUIP-RUZDIDTESA-N 1 1 484.000 3.962 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164904840 721720365 /nfs/dbraw/zinc/72/03/65/721720365.db2.gz DHKQTKNOWVPAOW-NRFANRHFSA-N 1 1 466.916 3.663 20 0 JHADMO FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911238 721724652 /nfs/dbraw/zinc/72/46/52/721724652.db2.gz JETCNOAEGJIKHG-SFHVURJKSA-N 1 1 459.875 3.730 20 0 JHADMO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164913498 721736649 /nfs/dbraw/zinc/73/66/49/721736649.db2.gz WJZBMBYZNSBSQE-SFHVURJKSA-N 1 1 459.875 3.816 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C(=O)OCC ZINC001164913110 721738209 /nfs/dbraw/zinc/73/82/09/721738209.db2.gz SYUBBNIGRREQGQ-XMMPIXPASA-N 1 1 488.535 3.568 20 0 JHADMO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165019328 721779900 /nfs/dbraw/zinc/77/99/00/721779900.db2.gz KCZYGTITVFJNDO-NSVAZKTRSA-N 1 1 473.621 3.680 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5CN(c6cccnc6)C(=O)[C@H]5C3)n2)CCC4)CC1 ZINC001165024710 721792041 /nfs/dbraw/zinc/79/20/41/721792041.db2.gz SPDXSGXSFJNFGC-NQIIRXRSSA-N 1 1 488.661 3.906 20 0 JHADMO Fc1ccc(F)c2c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164915022 721800969 /nfs/dbraw/zinc/80/09/69/721800969.db2.gz UCPMHNJQMKICFJ-HSZRJFAPSA-N 1 1 460.912 3.669 20 0 JHADMO Fc1ccc(F)c2c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164915022 721800970 /nfs/dbraw/zinc/80/09/70/721800970.db2.gz UCPMHNJQMKICFJ-HSZRJFAPSA-N 1 1 460.912 3.669 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165027278 721801307 /nfs/dbraw/zinc/80/13/07/721801307.db2.gz VIMYZIGJRIOGBP-SNRMKQJTSA-N 1 1 479.959 3.984 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024682 721818310 /nfs/dbraw/zinc/81/83/10/721818310.db2.gz KIPVFCUXZCYVCN-QRFRQXIXSA-N 1 1 451.596 4.000 20 0 JHADMO Cc1cnc2n1CCN(C)C21CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC001164918724 721819222 /nfs/dbraw/zinc/81/92/22/721819222.db2.gz SEXTWRVVHMRKSQ-UHFFFAOYSA-N 1 1 465.671 3.850 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@H]21 ZINC001165025687 721824373 /nfs/dbraw/zinc/82/43/73/721824373.db2.gz NJSZNWLCLZYJGX-HUROMRQRSA-N 1 1 483.664 3.935 20 0 JHADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026721 721824979 /nfs/dbraw/zinc/82/49/79/721824979.db2.gz PUQMSEDHZFTQIP-WDJPJFJCSA-N 1 1 471.671 3.680 20 0 JHADMO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165025063 721830300 /nfs/dbraw/zinc/83/03/00/721830300.db2.gz LINDCNRKWBYDIR-RYQLBKOJSA-N 1 1 450.965 3.873 20 0 JHADMO COC(=O)c1nc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165019103 721831068 /nfs/dbraw/zinc/83/10/68/721831068.db2.gz AXMFDAPGKFGJQX-BPUTZDHNSA-N 1 1 450.370 3.702 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@H]21 ZINC001165025142 721832415 /nfs/dbraw/zinc/83/24/15/721832415.db2.gz LXCKQNIGXSHPEL-QXAKKESOSA-N 1 1 477.440 3.752 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(C[C@H](N(C)c5ncccn5)CO4)C3)c2c1C ZINC001164926827 721836595 /nfs/dbraw/zinc/83/65/95/721836595.db2.gz SOEYEQVQFVSUSJ-FNZWTVRRSA-N 1 1 493.681 3.958 20 0 JHADMO CCOC(=O)c1c[nH]c2cc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)[nH+]cc21 ZINC001165022690 721843072 /nfs/dbraw/zinc/84/30/72/721843072.db2.gz SEKNBEALRJKIRY-UHFFFAOYSA-N 1 1 452.555 3.858 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924201 721846591 /nfs/dbraw/zinc/84/65/91/721846591.db2.gz XFEGUPJAZZWGLP-DHLKQENFSA-N 1 1 454.594 3.681 20 0 JHADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925364 721868642 /nfs/dbraw/zinc/86/86/42/721868642.db2.gz OALSNEXIFNRBGV-YOSAUDMPSA-N 1 1 493.458 3.632 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925364 721868643 /nfs/dbraw/zinc/86/86/43/721868643.db2.gz OALSNEXIFNRBGV-YOSAUDMPSA-N 1 1 493.458 3.632 20 0 JHADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926255 721871557 /nfs/dbraw/zinc/87/15/57/721871557.db2.gz QZLOMVHFKCEHKB-MOPGFXCFSA-N 1 1 465.118 3.612 20 0 JHADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1ccn2COCC[Si](C)(C)C ZINC001164926255 721871559 /nfs/dbraw/zinc/87/15/59/721871559.db2.gz QZLOMVHFKCEHKB-MOPGFXCFSA-N 1 1 465.118 3.612 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CC[N@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932855 721879369 /nfs/dbraw/zinc/87/93/69/721879369.db2.gz KCLCVYIOPVZUJU-NHCUHLMSSA-N 1 1 468.715 3.627 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CCN5CC[NH+](C)C)n2)CCC4)CC1 ZINC001164932855 721879370 /nfs/dbraw/zinc/87/93/70/721879370.db2.gz KCLCVYIOPVZUJU-NHCUHLMSSA-N 1 1 468.715 3.627 20 0 JHADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934576 721879398 /nfs/dbraw/zinc/87/93/98/721879398.db2.gz SDKNBJQEYXDHBH-SFTDATJTSA-N 1 1 468.715 3.771 20 0 JHADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164934576 721879401 /nfs/dbraw/zinc/87/94/01/721879401.db2.gz SDKNBJQEYXDHBH-SFTDATJTSA-N 1 1 468.715 3.771 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164934820 721880087 /nfs/dbraw/zinc/88/00/87/721880087.db2.gz UPSGPVXEIFTMDY-NRSPTQNISA-N 1 1 468.715 3.627 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164934820 721880088 /nfs/dbraw/zinc/88/00/88/721880088.db2.gz UPSGPVXEIFTMDY-NRSPTQNISA-N 1 1 468.715 3.627 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC3)C2)cc1 ZINC001164938989 721932538 /nfs/dbraw/zinc/93/25/38/721932538.db2.gz GAVBKHCDVYLEIY-UHFFFAOYSA-N 1 1 498.675 3.983 20 0 JHADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)C(=O)NCC[N@H+]4Cc2ccccc2)n1)CCCC3 ZINC001164948198 721978421 /nfs/dbraw/zinc/97/84/21/721978421.db2.gz VERBKGSCZRLXCU-UHFFFAOYSA-N 1 1 461.635 3.850 20 0 JHADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)C(=O)NCC[N@@H+]4Cc2ccccc2)n1)CCCC3 ZINC001164948198 721978423 /nfs/dbraw/zinc/97/84/23/721978423.db2.gz VERBKGSCZRLXCU-UHFFFAOYSA-N 1 1 461.635 3.850 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164949408 721978801 /nfs/dbraw/zinc/97/88/01/721978801.db2.gz PNTSRUKNOBCXSV-UHFFFAOYSA-N 1 1 470.602 3.724 20 0 JHADMO 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CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306654678 1069366553 /nfs/dbraw/zinc/36/65/53/1069366553.db2.gz QZSYSNWBMLCQDB-DNQXCXABSA-N 1 1 467.706 3.752 20 0 JHADMO CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306655104 1069367078 /nfs/dbraw/zinc/36/70/78/1069367078.db2.gz GDUYIGABCQMXSI-REWPJTCUSA-N 1 1 486.636 3.565 20 0 JHADMO CN(C)[C@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1Cl ZINC001311421596 1069368930 /nfs/dbraw/zinc/36/89/30/1069368930.db2.gz CIJRIRSOALXVBA-DNQXCXABSA-N 1 1 458.050 3.621 20 0 JHADMO CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422773 1069370630 /nfs/dbraw/zinc/37/06/30/1069370630.db2.gz JPVSXOMTENVNCA-VJBWXMMDSA-N 1 1 456.656 3.724 20 0 JHADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422773 1069370646 /nfs/dbraw/zinc/37/06/46/1069370646.db2.gz JPVSXOMTENVNCA-VJBWXMMDSA-N 1 1 456.656 3.724 20 0 JHADMO C[N@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422773 1069370663 /nfs/dbraw/zinc/37/06/63/1069370663.db2.gz JPVSXOMTENVNCA-VJBWXMMDSA-N 1 1 456.656 3.724 20 0 JHADMO CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c(C)n1 ZINC001306657421 1069371285 /nfs/dbraw/zinc/37/12/85/1069371285.db2.gz ZQTMJSAURCUMMU-VQTJNVASSA-N 1 1 452.651 3.946 20 0 JHADMO CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306657693 1069371636 /nfs/dbraw/zinc/37/16/36/1069371636.db2.gz SAYQCUDJENOMFT-VXKWHMMOSA-N 1 1 489.709 3.757 20 0 JHADMO CCOC(=O)c1csc(CC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC001311430781 1069376319 /nfs/dbraw/zinc/37/63/19/1069376319.db2.gz SMPJFCSKBZWGDE-GOSISDBHSA-N 1 1 450.649 3.939 20 0 JHADMO COc1cccc([C@@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441035 1069381628 /nfs/dbraw/zinc/38/16/28/1069381628.db2.gz LGIKBEFVMAFERJ-XUZZJYLKSA-N 1 1 459.562 3.588 20 0 JHADMO COC(=O)Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311460789 1069388733 /nfs/dbraw/zinc/38/87/33/1069388733.db2.gz PTDMJAKZKTWLKX-LJQANCHMSA-N 1 1 450.461 3.957 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001306665945 1069393252 /nfs/dbraw/zinc/39/32/52/1069393252.db2.gz QXZBSOIAJSERCT-GMAHTHKFSA-N 1 1 474.694 3.727 20 0 JHADMO CCCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306676298 1069401031 /nfs/dbraw/zinc/40/10/31/1069401031.db2.gz GXHICPZVNVNPBG-RUZDIDTESA-N 1 1 481.733 4.000 20 0 JHADMO CCCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001306676298 1069401039 /nfs/dbraw/zinc/40/10/39/1069401039.db2.gz GXHICPZVNVNPBG-RUZDIDTESA-N 1 1 481.733 4.000 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001306678746 1069403725 /nfs/dbraw/zinc/40/37/25/1069403725.db2.gz DNINYINBCXQAGD-UHFFFAOYSA-N 1 1 454.541 3.919 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677732 1069401882 /nfs/dbraw/zinc/40/18/82/1069401882.db2.gz BPURAIHTDGOZAM-RPWUZVMVSA-N 1 1 474.694 3.727 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCc2scnc2C)CC1 ZINC001306677886 1069402398 /nfs/dbraw/zinc/40/23/98/1069402398.db2.gz DKUMEAGGRBKDKB-UHFFFAOYSA-N 1 1 456.664 3.635 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001306680819 1069408484 /nfs/dbraw/zinc/40/84/84/1069408484.db2.gz GUIUUTBIYKLGMF-SFHVURJKSA-N 1 1 467.456 3.783 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001306681580 1069411088 /nfs/dbraw/zinc/41/10/88/1069411088.db2.gz OECAFSUJKYNRAD-UHFFFAOYSA-N 1 1 496.685 3.570 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001306683374 1069416480 /nfs/dbraw/zinc/41/64/80/1069416480.db2.gz WYTMVUVADPHEQA-HSZRJFAPSA-N 1 1 451.619 3.551 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306683277 1069416489 /nfs/dbraw/zinc/41/64/89/1069416489.db2.gz QQFYREKZAGKSJE-UHFFFAOYSA-N 1 1 478.041 3.640 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306683287 1069416582 /nfs/dbraw/zinc/41/65/82/1069416582.db2.gz WMJCAZQTZDACTL-UHFFFAOYSA-N 1 1 489.064 3.788 20 0 JHADMO CCCN(C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311511783 1069417137 /nfs/dbraw/zinc/41/71/37/1069417137.db2.gz TVMXTJOVXSTNIG-KDURUIRLSA-N 1 1 454.656 3.695 20 0 JHADMO CCCN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311511783 1069417139 /nfs/dbraw/zinc/41/71/39/1069417139.db2.gz TVMXTJOVXSTNIG-KDURUIRLSA-N 1 1 454.656 3.695 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(F)F)CC1 ZINC001306683481 1069417162 /nfs/dbraw/zinc/41/71/62/1069417162.db2.gz VPZRLXGCLPXIEJ-UHFFFAOYSA-N 1 1 457.573 3.612 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001306683126 1069416028 /nfs/dbraw/zinc/41/60/28/1069416028.db2.gz PHSPDFLBNBDOLQ-SFTDATJTSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001306684098 1069418804 /nfs/dbraw/zinc/41/88/04/1069418804.db2.gz IRMGRUXOCQQNFX-UHFFFAOYSA-N 1 1 482.677 3.673 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001306685096 1069420075 /nfs/dbraw/zinc/42/00/75/1069420075.db2.gz ZUORRGFJSXOQOP-UHFFFAOYSA-N 1 1 476.629 3.631 20 0 JHADMO CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306685153 1069420755 /nfs/dbraw/zinc/42/07/55/1069420755.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 1 1 451.619 3.862 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306685153 1069420761 /nfs/dbraw/zinc/42/07/61/1069420761.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 1 1 451.619 3.862 20 0 JHADMO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001311525790 1069423222 /nfs/dbraw/zinc/42/32/22/1069423222.db2.gz UAVKPZYKGNMVTO-NHCUHLMSSA-N 1 1 451.615 3.681 20 0 JHADMO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001311526286 1069423421 /nfs/dbraw/zinc/42/34/21/1069423421.db2.gz WSWPKHJYCVZKBM-DVECYGJZSA-N 1 1 452.599 3.627 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306687171 1069424105 /nfs/dbraw/zinc/42/41/05/1069424105.db2.gz ZMKDLYOVOGINLR-OAQYLSRUSA-N 1 1 496.578 3.597 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306687795 1069424609 /nfs/dbraw/zinc/42/46/09/1069424609.db2.gz KJKGJAUPGGABSE-XLIONFOSSA-N 1 1 491.706 3.715 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C)[NH+]1CCOCC1 ZINC001311535465 1069427625 /nfs/dbraw/zinc/42/76/25/1069427625.db2.gz SJYGLLOGIRIUTA-NBGIEHNGSA-N 1 1 453.631 3.592 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001306689147 1069426504 /nfs/dbraw/zinc/42/65/04/1069426504.db2.gz ZIRRWPWXRUJHAY-HXUWFJFHSA-N 1 1 464.655 3.603 20 0 JHADMO CC1(C)CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](c2ccccc2)C1 ZINC001311537639 1069429777 /nfs/dbraw/zinc/42/97/77/1069429777.db2.gz VEQITGVHNPUHAL-GOTSBHOMSA-N 1 1 450.631 3.650 20 0 JHADMO COc1ccc(C[C@@H]2CCCCN2C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC001311572244 1069443934 /nfs/dbraw/zinc/44/39/34/1069443934.db2.gz QNPDDUYYHUHCLT-GMAHTHKFSA-N 1 1 456.656 3.852 20 0 JHADMO CCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1 ZINC001306720318 1069454961 /nfs/dbraw/zinc/45/49/61/1069454961.db2.gz TUMHTCOSIPLYMU-UHFFFAOYSA-N 1 1 465.650 3.645 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721898 1069458890 /nfs/dbraw/zinc/45/88/90/1069458890.db2.gz CMBJZBPVZOQXRX-NHCUHLMSSA-N 1 1 455.603 3.608 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721900 1069459045 /nfs/dbraw/zinc/45/90/45/1069459045.db2.gz CMBJZBPVZOQXRX-SFTDATJTSA-N 1 1 455.603 3.608 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306722413 1069460580 /nfs/dbraw/zinc/46/05/80/1069460580.db2.gz KYDZHKCYOAGISK-SJLPKXTDSA-N 1 1 494.482 3.509 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306722571 1069461035 /nfs/dbraw/zinc/46/10/35/1069461035.db2.gz JAWZWYFCECYYIU-JOCHJYFZSA-N 1 1 467.662 3.656 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001306722943 1069462262 /nfs/dbraw/zinc/46/22/62/1069462262.db2.gz PAYKEBQHWMKSPZ-DHIUTWEWSA-N 1 1 486.636 3.788 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306723244 1069462888 /nfs/dbraw/zinc/46/28/88/1069462888.db2.gz PPURKDMMILTIDG-NHCUHLMSSA-N 1 1 455.651 3.669 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306723418 1069463441 /nfs/dbraw/zinc/46/34/41/1069463441.db2.gz QUERUYMOEUQVJD-WIYYLYMNSA-N 1 1 474.675 3.655 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC001306723350 1069463451 /nfs/dbraw/zinc/46/34/51/1069463451.db2.gz RTGFWLFWHNMNFW-SFTDATJTSA-N 1 1 472.682 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724897 1069465922 /nfs/dbraw/zinc/46/59/22/1069465922.db2.gz AADRWTDMXPYOPT-SFTDATJTSA-N 1 1 465.708 3.851 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306722795 1069461848 /nfs/dbraw/zinc/46/18/48/1069461848.db2.gz LCPJFLGIBGWXTM-PKTZIBPZSA-N 1 1 482.673 3.913 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306725775 1069467109 /nfs/dbraw/zinc/46/71/09/1069467109.db2.gz HHSYLJPGTOHVDS-DEOSSOPVSA-N 1 1 481.689 3.613 20 0 JHADMO CCC(CC)(CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(F)(F)F ZINC001311615830 1069467720 /nfs/dbraw/zinc/46/77/20/1069467720.db2.gz YNVLURLHOIYOPG-UHFFFAOYSA-N 1 1 458.525 3.515 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306726001 1069467916 /nfs/dbraw/zinc/46/79/16/1069467916.db2.gz JBUIGSCEVZUTAV-PGRDOPGGSA-N 1 1 490.599 3.790 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001306726811 1069470600 /nfs/dbraw/zinc/47/06/00/1069470600.db2.gz NOAQNKFVILMBQQ-NRFANRHFSA-N 1 1 459.660 3.974 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306730564 1069482483 /nfs/dbraw/zinc/48/24/83/1069482483.db2.gz NTKDORQBKVYGBL-NHCUHLMSSA-N 1 1 488.702 3.785 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001306731051 1069484417 /nfs/dbraw/zinc/48/44/17/1069484417.db2.gz OJVMHWNEASWXOD-BDHVOXNPSA-N 1 1 465.708 3.987 20 0 JHADMO 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CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719514 1070144454 /nfs/dbraw/zinc/14/44/54/1070144454.db2.gz NKAFFFIWMMXAOJ-VQTJNVASSA-N 1 1 459.553 3.698 20 0 JHADMO CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719514 1070144462 /nfs/dbraw/zinc/14/44/62/1070144462.db2.gz NKAFFFIWMMXAOJ-VQTJNVASSA-N 1 1 459.553 3.698 20 0 JHADMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)n[nH]1 ZINC001307722634 1070146914 /nfs/dbraw/zinc/14/69/14/1070146914.db2.gz VADVFPXCPYDEOJ-SFHVURJKSA-N 1 1 456.591 3.654 20 0 JHADMO 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 1070148007 /nfs/dbraw/zinc/14/80/07/1070148007.db2.gz FKMCQROVZIXKLX-AALWMKDKSA-N 1 1 469.601 3.659 20 0 JHADMO COCC(C)(C)N1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838616 1070148193 /nfs/dbraw/zinc/14/81/93/1070148193.db2.gz GSFDXHLADYDRBO-LOSJGSFVSA-N 1 1 468.617 3.546 20 0 JHADMO COCC(C)(C)N1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838616 1070148199 /nfs/dbraw/zinc/14/81/99/1070148199.db2.gz GSFDXHLADYDRBO-LOSJGSFVSA-N 1 1 468.617 3.546 20 0 JHADMO Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841080 1070150364 /nfs/dbraw/zinc/15/03/64/1070150364.db2.gz YZHPKDXXFLUHBX-DOEKTCAHSA-N 1 1 477.580 3.841 20 0 JHADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC001307742336 1070161251 /nfs/dbraw/zinc/16/12/51/1070161251.db2.gz PJYFODFKFPETGA-BJKOFHAPSA-N 1 1 451.592 3.563 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314348113 1070156895 /nfs/dbraw/zinc/15/68/95/1070156895.db2.gz CJWGIUMITZSFAD-NHCUHLMSSA-N 1 1 456.635 3.686 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC001312885143 1070167250 /nfs/dbraw/zinc/16/72/50/1070167250.db2.gz KPSUUTOMMDYKFC-AVPJRLCVSA-N 1 1 451.611 3.905 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001312884253 1070166380 /nfs/dbraw/zinc/16/63/80/1070166380.db2.gz DKCAPNQPYWESCV-DLGLWYJGSA-N 1 1 481.637 3.744 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(OC(F)(F)F)c1 ZINC001312886949 1070168192 /nfs/dbraw/zinc/16/81/92/1070168192.db2.gz YOIIFTFEFMDPAE-TZIWHRDSSA-N 1 1 451.489 3.922 20 0 JHADMO O=C1O[C@H](C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CN1C1CCCCC1 ZINC001307761946 1070172636 /nfs/dbraw/zinc/17/26/36/1070172636.db2.gz VLCISNGBPTYGGS-GOSISDBHSA-N 1 1 451.365 3.894 20 0 JHADMO O=C1O[C@H](C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CN1C1CCCCC1 ZINC001307761946 1070172645 /nfs/dbraw/zinc/17/26/45/1070172645.db2.gz VLCISNGBPTYGGS-GOSISDBHSA-N 1 1 451.365 3.894 20 0 JHADMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001307773332 1070177700 /nfs/dbraw/zinc/17/77/00/1070177700.db2.gz HSJQHRPKFYCMLS-UTKZUKDTSA-N 1 1 467.994 3.681 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307773050 1070177195 /nfs/dbraw/zinc/17/71/95/1070177195.db2.gz JLMJYMSGFYTVMO-RTBURBONSA-N 1 1 457.571 3.573 20 0 JHADMO COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001307763200 1070172876 /nfs/dbraw/zinc/17/28/76/1070172876.db2.gz PHKKHDAICJKIPH-IDISGSTGSA-N 1 1 451.611 3.787 20 0 JHADMO Cc1ccc(CCC2CCN(C(=O)C[N@H+](Cc3ccccc3)[C@]3(CO)CCOC3)CC2)cc1 ZINC001307764556 1070173714 /nfs/dbraw/zinc/17/37/14/1070173714.db2.gz UQDWUQQKQQGVPD-NDEPHWFRSA-N 1 1 450.623 3.820 20 0 JHADMO Cc1ccc(CCC2CCN(C(=O)C[N@@H+](Cc3ccccc3)[C@]3(CO)CCOC3)CC2)cc1 ZINC001307764556 1070173717 /nfs/dbraw/zinc/17/37/17/1070173717.db2.gz UQDWUQQKQQGVPD-NDEPHWFRSA-N 1 1 450.623 3.820 20 0 JHADMO O=C1[C@H]([NH+]2CCC(CCN3CCOCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001307776387 1070178638 /nfs/dbraw/zinc/17/86/38/1070178638.db2.gz SWHGGXVXCZTIKT-JOCHJYFZSA-N 1 1 453.549 3.631 20 0 JHADMO 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 1070182679 /nfs/dbraw/zinc/18/26/79/1070182679.db2.gz BUMVFBRRCIOUDT-FDTGPBLFSA-N 1 1 473.658 3.835 20 0 JHADMO CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2)CC1 ZINC001312925469 1070183488 /nfs/dbraw/zinc/18/34/88/1070183488.db2.gz HXJAIKFFHSWKQE-BAGYTPMASA-N 1 1 464.695 3.579 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314360773 1070184503 /nfs/dbraw/zinc/18/45/03/1070184503.db2.gz OVQQHDLTWYNLKN-HXUWFJFHSA-N 1 1 457.594 3.927 20 0 JHADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799084 1070187037 /nfs/dbraw/zinc/18/70/37/1070187037.db2.gz KKLIJFDFWYFLNB-LVXARBLLSA-N 1 1 458.599 3.609 20 0 JHADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001307799086 1070187120 /nfs/dbraw/zinc/18/71/20/1070187120.db2.gz KKLIJFDFWYFLNB-RLWLMLJZSA-N 1 1 458.599 3.609 20 0 JHADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312932791 1070187175 /nfs/dbraw/zinc/18/71/75/1070187175.db2.gz MTYZCJUUFIYZRO-VQTJNVASSA-N 1 1 455.521 3.681 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314362868 1070188224 /nfs/dbraw/zinc/18/82/24/1070188224.db2.gz AHLXBHLYEAGSSN-PWRODBHTSA-N 1 1 486.627 3.790 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NCc3noc(-c4cccs4)n3)cc2)C[C@H](C)O1 ZINC001312937712 1070189509 /nfs/dbraw/zinc/18/95/09/1070189509.db2.gz POWLLJGTDUVHBE-CALCHBBNSA-N 1 1 455.584 3.749 20 0 JHADMO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307802484 1070189625 /nfs/dbraw/zinc/18/96/25/1070189625.db2.gz HYMWZMMUPAEUNR-QGZVFWFLSA-N 1 1 455.624 3.831 20 0 JHADMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307802484 1070189629 /nfs/dbraw/zinc/18/96/29/1070189629.db2.gz HYMWZMMUPAEUNR-QGZVFWFLSA-N 1 1 455.624 3.831 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC[C@H](OC)C(F)(F)F ZINC001314365368 1070195149 /nfs/dbraw/zinc/19/51/49/1070195149.db2.gz MFYKLSYQIWUYHF-QRVBRYPASA-N 1 1 461.573 3.873 20 0 JHADMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)c1 ZINC001307817121 1070197819 /nfs/dbraw/zinc/19/78/19/1070197819.db2.gz SKNRKRBCBVDBBO-PXDATVDWSA-N 1 1 459.587 3.532 20 0 JHADMO COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)c1 ZINC001307817121 1070197824 /nfs/dbraw/zinc/19/78/24/1070197824.db2.gz SKNRKRBCBVDBBO-PXDATVDWSA-N 1 1 459.587 3.532 20 0 JHADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(C)c1 ZINC001307818383 1070198598 /nfs/dbraw/zinc/19/85/98/1070198598.db2.gz FUIHQTJFLIPRDB-HXUWFJFHSA-N 1 1 456.591 3.504 20 0 JHADMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(C)c1 ZINC001307818383 1070198601 /nfs/dbraw/zinc/19/86/01/1070198601.db2.gz FUIHQTJFLIPRDB-HXUWFJFHSA-N 1 1 456.591 3.504 20 0 JHADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@H](C)Cc2ccccc2)cc1 ZINC001307845196 1070209830 /nfs/dbraw/zinc/20/98/30/1070209830.db2.gz RFODPGURAAVRDW-DNRQZRRGSA-N 1 1 454.611 3.688 20 0 JHADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001307852281 1070211425 /nfs/dbraw/zinc/21/14/25/1070211425.db2.gz GEMCZHRZOHDSAF-SFHVURJKSA-N 1 1 454.434 3.514 20 0 JHADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001307852281 1070211435 /nfs/dbraw/zinc/21/14/35/1070211435.db2.gz GEMCZHRZOHDSAF-SFHVURJKSA-N 1 1 454.434 3.514 20 0 JHADMO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001307850412 1070211608 /nfs/dbraw/zinc/21/16/08/1070211608.db2.gz PWFFQKZNFRBAIK-CQSZACIVSA-N 1 1 453.486 3.811 20 0 JHADMO 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 1070212556 /nfs/dbraw/zinc/21/25/56/1070212556.db2.gz LKOFBEKZOYRXSE-ZHNGQKSSSA-N 1 1 462.610 3.900 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314374202 1070212651 /nfs/dbraw/zinc/21/26/51/1070212651.db2.gz AUMVDLOCXHCTIC-NRFANRHFSA-N 1 1 486.636 3.571 20 0 JHADMO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307861614 1070214828 /nfs/dbraw/zinc/21/48/28/1070214828.db2.gz YPSQOWMKLXGAIY-KZNAEPCWSA-N 1 1 458.603 3.622 20 0 JHADMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307861614 1070214835 /nfs/dbraw/zinc/21/48/35/1070214835.db2.gz YPSQOWMKLXGAIY-KZNAEPCWSA-N 1 1 458.603 3.622 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314376190 1070216413 /nfs/dbraw/zinc/21/64/13/1070216413.db2.gz LRYGWMYSCGAZOY-RUZDIDTESA-N 1 1 496.700 3.607 20 0 JHADMO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC001307873739 1070218907 /nfs/dbraw/zinc/21/89/07/1070218907.db2.gz HHBMVBIKBVKSBT-UTFKNXJGSA-N 1 1 457.596 3.502 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314377390 1070219050 /nfs/dbraw/zinc/21/90/50/1070219050.db2.gz QYXHENJNIYWAIF-NRFANRHFSA-N 1 1 488.702 3.597 20 0 JHADMO C[C@@H]1CN(Cc2ccc(C[N@H+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225965 /nfs/dbraw/zinc/22/59/65/1070225965.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 1 1 450.671 3.940 20 0 JHADMO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225978 /nfs/dbraw/zinc/22/59/78/1070225978.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 1 1 450.671 3.940 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314383649 1070227506 /nfs/dbraw/zinc/22/75/06/1070227506.db2.gz BRRFIMHJSOLXQO-QFIPXVFZSA-N 1 1 474.694 3.554 20 0 JHADMO COCC[N@H+]1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C(C)(C)C1 ZINC001307891908 1070227613 /nfs/dbraw/zinc/22/76/13/1070227613.db2.gz GDWMYRJALXERDZ-OAQYLSRUSA-N 1 1 458.990 3.653 20 0 JHADMO CCOCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314387492 1070235702 /nfs/dbraw/zinc/23/57/02/1070235702.db2.gz SYKSUPIFJSINCB-OYRHEFFESA-N 1 1 470.662 3.603 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001314387970 1070236942 /nfs/dbraw/zinc/23/69/42/1070236942.db2.gz FMTKYQWIMYNBDW-GOSISDBHSA-N 1 1 468.627 3.766 20 0 JHADMO CCOCc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314388480 1070238787 /nfs/dbraw/zinc/23/87/87/1070238787.db2.gz JRVYTKHGIIAVJH-QHAWAJNXSA-N 1 1 489.734 3.911 20 0 JHADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916657 1070239511 /nfs/dbraw/zinc/23/95/11/1070239511.db2.gz HFARWNZAYHHGAG-PZJWPPBQSA-N 1 1 451.533 3.833 20 0 JHADMO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC001313088321 1070245457 /nfs/dbraw/zinc/24/54/57/1070245457.db2.gz DLJZGYBJHXKSIH-PWWKTKHKSA-N 1 1 450.627 3.994 20 0 JHADMO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC001313088321 1070245469 /nfs/dbraw/zinc/24/54/69/1070245469.db2.gz DLJZGYBJHXKSIH-PWWKTKHKSA-N 1 1 450.627 3.994 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307927460 1070245589 /nfs/dbraw/zinc/24/55/89/1070245589.db2.gz HNWZJRFDDMFAIH-ZIFCJYIRSA-N 1 1 485.606 3.517 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307927460 1070245601 /nfs/dbraw/zinc/24/56/01/1070245601.db2.gz HNWZJRFDDMFAIH-ZIFCJYIRSA-N 1 1 485.606 3.517 20 0 JHADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC001307936285 1070249125 /nfs/dbraw/zinc/24/91/25/1070249125.db2.gz CCQUJGAHRPPQFF-VQIMIIECSA-N 1 1 452.979 3.610 20 0 JHADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC001307936285 1070249138 /nfs/dbraw/zinc/24/91/38/1070249138.db2.gz CCQUJGAHRPPQFF-VQIMIIECSA-N 1 1 452.979 3.610 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1nc(C(C)(C)C)cs1 ZINC001314393562 1070250842 /nfs/dbraw/zinc/25/08/42/1070250842.db2.gz ALSRQLSTLDTCDT-SFHVURJKSA-N 1 1 476.691 3.501 20 0 JHADMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001307940278 1070251714 /nfs/dbraw/zinc/25/17/14/1070251714.db2.gz ZFFZVUMMBDAXQO-QMHWCDLVSA-N 1 1 475.630 3.716 20 0 JHADMO CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001314396324 1070255229 /nfs/dbraw/zinc/25/52/29/1070255229.db2.gz KLKNXDNJDVPZLC-UHFFFAOYSA-N 1 1 497.669 3.777 20 0 JHADMO CC[C@H](CO)[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCC(C(C)(C)C)CC1 ZINC001307959361 1070258523 /nfs/dbraw/zinc/25/85/23/1070258523.db2.gz ZLDAZHKZDDNHAC-SHSGKGFPSA-N 1 1 457.659 3.873 20 0 JHADMO CCOCc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001314398551 1070258984 /nfs/dbraw/zinc/25/89/84/1070258984.db2.gz LZAPBIACEXHIEN-UHFFFAOYSA-N 1 1 484.670 3.818 20 0 JHADMO 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ZINC001313447178 1070366048 /nfs/dbraw/zinc/36/60/48/1070366048.db2.gz INGKNSARQIMJED-FQEVSTJZSA-N 1 1 463.630 3.637 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1 ZINC001313447387 1070366514 /nfs/dbraw/zinc/36/65/14/1070366514.db2.gz JECSYBLRGOGMGC-LSDHHAIUSA-N 1 1 454.438 3.869 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313447674 1070368255 /nfs/dbraw/zinc/36/82/55/1070368255.db2.gz MOXRGDXYJDYNOU-YADHBBJMSA-N 1 1 452.647 3.869 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1csc(Br)c1 ZINC001313447720 1070368398 /nfs/dbraw/zinc/36/83/98/1070368398.db2.gz JMAFSYOJDOCUGK-KRWDZBQOSA-N 1 1 495.491 3.849 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313448126 1070370139 /nfs/dbraw/zinc/37/01/39/1070370139.db2.gz PFMLKISGAYTJDI-ZEQRLZLVSA-N 1 1 452.647 3.753 20 0 JHADMO Cc1ccc(CNc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)c(Br)c1 ZINC001308400340 1070370363 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MYYXDKMHVSIGJG-WMZHIEFXSA-N 1 1 451.681 3.525 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001313453498 1070386046 /nfs/dbraw/zinc/38/60/46/1070386046.db2.gz XHRSDNJFELNUCX-IBGZPJMESA-N 1 1 498.619 3.700 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001313453625 1070386285 /nfs/dbraw/zinc/38/62/85/1070386285.db2.gz UDVKERWXWRNNFZ-YTFSRNRJSA-N 1 1 482.673 3.806 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313453903 1070387457 /nfs/dbraw/zinc/38/74/57/1070387457.db2.gz WYKJUCSBWIJSAG-FDDCHVKYSA-N 1 1 477.078 3.800 20 0 JHADMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560566 1070389325 /nfs/dbraw/zinc/38/93/25/1070389325.db2.gz HOYOATPUNILEBL-OXQOHEQNSA-N 1 1 457.445 3.932 20 0 JHADMO CCCn1nc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313455244 1070391816 /nfs/dbraw/zinc/39/18/16/1070391816.db2.gz KWTLFEHDCPTXBY-MHZLTWQESA-N 1 1 495.672 3.801 20 0 JHADMO COc1ccc(N(C(C)=O)c2nc(CN3CCN(c4cc(OC)cc[nH+]4)CC3)cs2)cc1 ZINC001308585996 1070395605 /nfs/dbraw/zinc/39/56/05/1070395605.db2.gz WOWFJHPYRAPTIP-UHFFFAOYSA-N 1 1 453.568 3.562 20 0 JHADMO 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 1070395660 /nfs/dbraw/zinc/39/56/60/1070395660.db2.gz OEXGLAYDSULQQM-UXHICEINSA-N 1 1 454.656 3.507 20 0 JHADMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC001308575034 1070393361 /nfs/dbraw/zinc/39/33/61/1070393361.db2.gz HVLJIORTKRZFSF-DVECYGJZSA-N 1 1 458.002 3.597 20 0 JHADMO CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314489622 1070399929 /nfs/dbraw/zinc/39/99/29/1070399929.db2.gz YQZKOUXSLRBNSL-BGYRXZFFSA-N 1 1 476.065 3.884 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001314493336 1070406914 /nfs/dbraw/zinc/40/69/14/1070406914.db2.gz HITUWEPUDNYBBL-UHFFFAOYSA-N 1 1 455.525 3.681 20 0 JHADMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(I)c1 ZINC001308660768 1070412614 /nfs/dbraw/zinc/41/26/14/1070412614.db2.gz SNUOZEZHKYFAMV-UHFFFAOYSA-N 1 1 452.292 3.523 20 0 JHADMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(I)c1 ZINC001308660768 1070412622 /nfs/dbraw/zinc/41/26/22/1070412622.db2.gz SNUOZEZHKYFAMV-UHFFFAOYSA-N 1 1 452.292 3.523 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1CC ZINC001314495166 1070412645 /nfs/dbraw/zinc/41/26/45/1070412645.db2.gz FSPMHUQZBPCHIG-HSZRJFAPSA-N 1 1 482.673 3.673 20 0 JHADMO CC(C)(C)OC(=O)NC1(CC[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCOCC1 ZINC001308660483 1070412762 /nfs/dbraw/zinc/41/27/62/1070412762.db2.gz OTAQOMXLXGQYBP-UHFFFAOYSA-N 1 1 451.995 3.562 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1CC ZINC001314495167 1070412802 /nfs/dbraw/zinc/41/28/02/1070412802.db2.gz FSPMHUQZBPCHIG-QHCPKHFHSA-N 1 1 482.673 3.673 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1CC ZINC001314495280 1070412847 /nfs/dbraw/zinc/41/28/47/1070412847.db2.gz GJIWIVJEVQRFIE-OAQYLSRUSA-N 1 1 485.032 3.988 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)SC)C[C@H]1CC ZINC001314495247 1070412903 /nfs/dbraw/zinc/41/29/03/1070412903.db2.gz GNRLSMDPXZNIKB-HXUWFJFHSA-N 1 1 489.686 3.795 20 0 JHADMO CN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308663717 1070413296 /nfs/dbraw/zinc/41/32/96/1070413296.db2.gz STYQGIPFDDHSDZ-YADHBBJMSA-N 1 1 454.619 3.556 20 0 JHADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC001308661678 1070413437 /nfs/dbraw/zinc/41/34/37/1070413437.db2.gz CIZBLWTYBPJJGP-WZONZLPQSA-N 1 1 454.567 3.591 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1CC ZINC001314496109 1070416181 /nfs/dbraw/zinc/41/61/81/1070416181.db2.gz NFRFFRZJYWHDTM-NVQXNPDNSA-N 1 1 486.730 3.628 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001314496328 1070417236 /nfs/dbraw/zinc/41/72/36/1070417236.db2.gz IIQBYXYKHPQQHV-SJORKVTESA-N 1 1 498.491 3.743 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001314496953 1070419560 /nfs/dbraw/zinc/41/95/60/1070419560.db2.gz PBIPSNAPMSQEPI-UHFFFAOYSA-N 1 1 477.947 3.533 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2C)CC1 ZINC001314496931 1070419820 /nfs/dbraw/zinc/41/98/20/1070419820.db2.gz OARUMYMQZCGLES-UHFFFAOYSA-N 1 1 487.446 3.745 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2nccs2)CC1 ZINC001314497571 1070421419 /nfs/dbraw/zinc/42/14/19/1070421419.db2.gz BCRJAKAZTGBIDM-UHFFFAOYSA-N 1 1 497.452 3.827 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@H]2C[C@H]2C)CC1 ZINC001314498417 1070423676 /nfs/dbraw/zinc/42/36/76/1070423676.db2.gz MGWWDFBRECARFR-QAPCUYQASA-N 1 1 454.402 3.903 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCCN4CCOCC4)cc3)C2)C1 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3.957 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@H](OC)C2)c1 ZINC001313573201 1070687535 /nfs/dbraw/zinc/68/75/35/1070687535.db2.gz CXRHGHYBSVNUCC-SIKLNZKXSA-N 1 1 496.681 3.631 20 0 JHADMO CCSCCCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001314614816 1070684428 /nfs/dbraw/zinc/68/44/28/1070684428.db2.gz DJQKCEQUWRYFON-UHFFFAOYSA-N 1 1 454.644 3.758 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001313575544 1070691132 /nfs/dbraw/zinc/69/11/32/1070691132.db2.gz QKJICXJCBPAXNO-NRFANRHFSA-N 1 1 487.695 3.687 20 0 JHADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)C)C2)c1 ZINC001313575830 1070691313 /nfs/dbraw/zinc/69/13/13/1070691313.db2.gz SQLFIGWMAUUBKI-JOCHJYFZSA-N 1 1 496.681 3.631 20 0 JHADMO CCSCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001314618749 1070693222 /nfs/dbraw/zinc/69/32/22/1070693222.db2.gz WSXAJAUQOKPPBV-VWLOTQADSA-N 1 1 473.687 3.918 20 0 JHADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC001313580989 1070701049 /nfs/dbraw/zinc/70/10/49/1070701049.db2.gz AMRUZURPOSNYAW-HXUWFJFHSA-N 1 1 488.702 3.696 20 0 JHADMO CN(C)C(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCC1 ZINC001314625486 1070713094 /nfs/dbraw/zinc/71/30/94/1070713094.db2.gz FUNDSDUBLFVOCK-UHFFFAOYSA-N 1 1 484.664 3.967 20 0 JHADMO CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313588566 1070716034 /nfs/dbraw/zinc/71/60/34/1070716034.db2.gz WJDFVQLVWRREBF-QGZVFWFLSA-N 1 1 488.485 3.996 20 0 JHADMO CN(C)C(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)CCCC1 ZINC001314626540 1070717309 /nfs/dbraw/zinc/71/73/09/1070717309.db2.gz YYISOCSFLNZUMN-UHFFFAOYSA-N 1 1 472.703 3.899 20 0 JHADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001314627881 1070722254 /nfs/dbraw/zinc/72/22/54/1070722254.db2.gz DFGJFKCUOMUZFZ-QHCPKHFHSA-N 1 1 498.075 3.559 20 0 JHADMO CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@H+]1CCCC(C)(C)C1)C(C)C ZINC001313603510 1070726289 /nfs/dbraw/zinc/72/62/89/1070726289.db2.gz COGCVLQQCXMKAQ-UHFFFAOYSA-N 1 1 454.667 3.809 20 0 JHADMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCc1ccccc1Br ZINC001309376385 1070733164 /nfs/dbraw/zinc/73/31/64/1070733164.db2.gz CNZGLHQMSZXGKD-FQEVSTJZSA-N 1 1 451.430 3.918 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001313627075 1070756116 /nfs/dbraw/zinc/75/61/16/1070756116.db2.gz ICHWNMPMDHDXHR-IBGZPJMESA-N 1 1 461.680 3.513 20 0 JHADMO C[NH+](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1Cl ZINC001314652629 1070763650 /nfs/dbraw/zinc/76/36/50/1070763650.db2.gz VTNAGQXJHUGKDS-WMQCIHAUSA-N 1 1 475.037 3.568 20 0 JHADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001313641398 1070787407 /nfs/dbraw/zinc/78/74/07/1070787407.db2.gz YCLKWOCNNHBCLH-ZEQKJWHPSA-N 1 1 487.714 3.553 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001313643901 1070794595 /nfs/dbraw/zinc/79/45/95/1070794595.db2.gz DEWJMLMFQXQYRB-NHCUHLMSSA-N 1 1 472.703 3.747 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001313643901 1070794604 /nfs/dbraw/zinc/79/46/04/1070794604.db2.gz DEWJMLMFQXQYRB-NHCUHLMSSA-N 1 1 472.703 3.747 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001313644416 1070797359 /nfs/dbraw/zinc/79/73/59/1070797359.db2.gz LBXDVGHCCZHZLS-JTHBVZDNSA-N 1 1 490.737 3.797 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001313644416 1070797366 /nfs/dbraw/zinc/79/73/66/1070797366.db2.gz LBXDVGHCCZHZLS-JTHBVZDNSA-N 1 1 490.737 3.797 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313644413 1070797410 /nfs/dbraw/zinc/79/74/10/1070797410.db2.gz LBXDVGHCCZHZLS-GMAHTHKFSA-N 1 1 490.737 3.797 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313644413 1070797418 /nfs/dbraw/zinc/79/74/18/1070797418.db2.gz LBXDVGHCCZHZLS-GMAHTHKFSA-N 1 1 490.737 3.797 20 0 JHADMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC001309486522 1070801331 /nfs/dbraw/zinc/80/13/31/1070801331.db2.gz RZZVAMGTLJYRHQ-NRFANRHFSA-N 1 1 450.004 3.828 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCCC(F)(F)F)CC1 ZINC001313644814 1070799235 /nfs/dbraw/zinc/79/92/35/1070799235.db2.gz KHFQGNJMPADLGL-UHFFFAOYSA-N 1 1 486.608 3.653 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCCC(F)(F)F)CC1 ZINC001313644814 1070799257 /nfs/dbraw/zinc/79/92/57/1070799257.db2.gz KHFQGNJMPADLGL-UHFFFAOYSA-N 1 1 486.608 3.653 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001313645779 1070804992 /nfs/dbraw/zinc/80/49/92/1070804992.db2.gz OVSVRBHGJJGDPL-RUZDIDTESA-N 1 1 476.735 3.677 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001313645779 1070805020 /nfs/dbraw/zinc/80/50/20/1070805020.db2.gz OVSVRBHGJJGDPL-RUZDIDTESA-N 1 1 476.735 3.677 20 0 JHADMO CC[C@@H]1CN(CC)CCN1S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810484 /nfs/dbraw/zinc/81/04/84/1070810484.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 1 1 459.631 3.540 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313647330 1070811967 /nfs/dbraw/zinc/81/19/67/1070811967.db2.gz KMYHCRWBFLOCRC-RBBKRZOGSA-N 1 1 456.610 3.682 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313647330 1070812003 /nfs/dbraw/zinc/81/20/03/1070812003.db2.gz KMYHCRWBFLOCRC-RBBKRZOGSA-N 1 1 456.610 3.682 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001313647651 1070813470 /nfs/dbraw/zinc/81/34/70/1070813470.db2.gz NYZAHBWNCVACTP-UHFFFAOYSA-N 1 1 482.673 3.522 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001313647651 1070813499 /nfs/dbraw/zinc/81/34/99/1070813499.db2.gz NYZAHBWNCVACTP-UHFFFAOYSA-N 1 1 482.673 3.522 20 0 JHADMO C[NH+](C)CCN1CCC(Cn2c(N3CCC(n4cc(Cl)cn4)CC3)nnc2C(C)(C)C)CC1 ZINC001314672976 1070818764 /nfs/dbraw/zinc/81/87/64/1070818764.db2.gz ZIZALIPQXJNDNT-UHFFFAOYSA-N 1 1 477.101 3.541 20 0 JHADMO CSc1ccc([C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[NH+](C)C)cc1 ZINC001309525766 1070828653 /nfs/dbraw/zinc/82/86/53/1070828653.db2.gz APYIKOSZEDTADR-GOSISDBHSA-N 1 1 454.017 3.528 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001313655570 1070845493 /nfs/dbraw/zinc/84/54/93/1070845493.db2.gz PMNMBOAWPAJCES-DEOSSOPVSA-N 1 1 495.716 3.768 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313655606 1070845881 /nfs/dbraw/zinc/84/58/81/1070845881.db2.gz QRWSHTXHPMQLEL-QFIPXVFZSA-N 1 1 497.688 3.540 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001313656231 1070848990 /nfs/dbraw/zinc/84/89/90/1070848990.db2.gz HLKFGKIRNZWJBH-AZUAARDMSA-N 1 1 462.589 3.951 20 0 JHADMO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1F ZINC001309569475 1070864192 /nfs/dbraw/zinc/86/41/92/1070864192.db2.gz WCMQEVVJUMHFMH-JTHBVZDNSA-N 1 1 458.530 3.920 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001313659495 1070863222 /nfs/dbraw/zinc/86/32/22/1070863222.db2.gz IHOGDRDKCITIKJ-UMXIMWEHSA-N 1 1 478.689 3.928 20 0 JHADMO CN(CC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314710289 1070888357 /nfs/dbraw/zinc/88/83/57/1070888357.db2.gz RIRPDTQCAGFGAD-QGZVFWFLSA-N 1 1 467.456 3.755 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C ZINC001314712225 1070895994 /nfs/dbraw/zinc/89/59/94/1070895994.db2.gz IHUWXHWFKSGHOJ-HXUWFJFHSA-N 1 1 461.676 3.540 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCCC1 ZINC001314712427 1070897314 /nfs/dbraw/zinc/89/73/14/1070897314.db2.gz MDPFATKZFVLYSI-UHFFFAOYSA-N 1 1 487.664 3.888 20 0 JHADMO Cn1ncc(C(F)(F)F)c1S(=O)(=O)Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC001309642711 1070897762 /nfs/dbraw/zinc/89/77/62/1070897762.db2.gz VSPQLROLMAAQTH-UHFFFAOYSA-N 1 1 451.470 3.765 20 0 JHADMO Cn1ncc(C(F)(F)F)c1S(=O)(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC001309642711 1070897766 /nfs/dbraw/zinc/89/77/66/1070897766.db2.gz VSPQLROLMAAQTH-UHFFFAOYSA-N 1 1 451.470 3.765 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CC1(c2ccccn2)CCC1 ZINC001314715562 1070905759 /nfs/dbraw/zinc/90/57/59/1070905759.db2.gz KTVMMANOVRTWDD-UHFFFAOYSA-N 1 1 454.663 3.887 20 0 JHADMO O=S(=O)(NC/C=C\c1cccnc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309666379 1070912026 /nfs/dbraw/zinc/91/20/26/1070912026.db2.gz RBJTVAJPPWQACC-FVUWPRCLSA-N 1 1 451.567 3.822 20 0 JHADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314722385 1070921311 /nfs/dbraw/zinc/92/13/11/1070921311.db2.gz KBIBCZZPOIBREG-IBGZPJMESA-N 1 1 461.536 3.853 20 0 JHADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)C)C1)c1ccsc1 ZINC001313678851 1070932344 /nfs/dbraw/zinc/93/23/44/1070932344.db2.gz OUYBRMUEULBWQP-CEWLAPEOSA-N 1 1 479.716 3.807 20 0 JHADMO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314729388 1070944103 /nfs/dbraw/zinc/94/41/03/1070944103.db2.gz KADAAHGLEYICDV-AEFFLSMTSA-N 1 1 498.491 3.827 20 0 JHADMO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001313683411 1070944245 /nfs/dbraw/zinc/94/42/45/1070944245.db2.gz CXBMBWIYEBLCJR-NRFANRHFSA-N 1 1 459.660 3.992 20 0 JHADMO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314728105 1070940839 /nfs/dbraw/zinc/94/08/39/1070940839.db2.gz NVAIAMLUSKIRHV-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314728105 1070940845 /nfs/dbraw/zinc/94/08/45/1070940845.db2.gz NVAIAMLUSKIRHV-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314728105 1070940848 /nfs/dbraw/zinc/94/08/48/1070940848.db2.gz NVAIAMLUSKIRHV-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314734328 1070956790 /nfs/dbraw/zinc/95/67/90/1070956790.db2.gz ZUQHKYUKYXHEKS-UHFFFAOYSA-N 1 1 472.996 3.804 20 0 JHADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314738663 1070970157 /nfs/dbraw/zinc/97/01/57/1070970157.db2.gz DLGDTKYSBHDYMP-QFIPXVFZSA-N 1 1 489.686 3.682 20 0 JHADMO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCCO2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314740608 1070976748 /nfs/dbraw/zinc/97/67/48/1070976748.db2.gz XWDKAYJOBUAPDW-LEWJYISDSA-N 1 1 492.462 3.765 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314743654 1070984363 /nfs/dbraw/zinc/98/43/63/1070984363.db2.gz VLRJCWKGQRVBBK-UHFFFAOYSA-N 1 1 460.529 3.622 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCOCC1(C)C ZINC001314743654 1070984373 /nfs/dbraw/zinc/98/43/73/1070984373.db2.gz VLRJCWKGQRVBBK-UHFFFAOYSA-N 1 1 460.529 3.622 20 0 JHADMO Cn1cc(-c2nnc(N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)cn1 ZINC001314748416 1070997833 /nfs/dbraw/zinc/99/78/33/1070997833.db2.gz FQCAINBJHARLBU-DHUJRADRSA-N 1 1 497.713 3.574 20 0 JHADMO COc1ncc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1Cl ZINC001309914696 1071015489 /nfs/dbraw/zinc/01/54/89/1071015489.db2.gz DQZAAXSZNBUNRZ-RBBKRZOGSA-N 1 1 457.983 3.690 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313721342 1071023845 /nfs/dbraw/zinc/02/38/45/1071023845.db2.gz KIKSHIUGMWCWLW-DLBZAZTESA-N 1 1 499.523 3.656 20 0 JHADMO 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CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001313730547 1071044989 /nfs/dbraw/zinc/04/49/89/1071044989.db2.gz IOOLXEWAGOGYBL-NRFANRHFSA-N 1 1 463.573 3.935 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001313730547 1071044997 /nfs/dbraw/zinc/04/49/97/1071044997.db2.gz IOOLXEWAGOGYBL-NRFANRHFSA-N 1 1 463.573 3.935 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001313731160 1071046606 /nfs/dbraw/zinc/04/66/06/1071046606.db2.gz GXPSPJXZFVRZFZ-INIZCTEOSA-N 1 1 454.040 3.634 20 0 JHADMO CN(CC1CC(F)C1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314782087 1071057380 /nfs/dbraw/zinc/05/73/80/1071057380.db2.gz LOXNFFMTXOZQHV-LYBXBRPPSA-N 1 1 488.995 3.942 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310010355 1071055836 /nfs/dbraw/zinc/05/58/36/1071055836.db2.gz RSCJVLZXHNELSI-BJKOFHAPSA-N 1 1 450.583 3.724 20 0 JHADMO CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310010355 1071055845 /nfs/dbraw/zinc/05/58/45/1071055845.db2.gz RSCJVLZXHNELSI-BJKOFHAPSA-N 1 1 450.583 3.724 20 0 JHADMO CC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001310010357 1071055906 /nfs/dbraw/zinc/05/59/06/1071055906.db2.gz RSCJVLZXHNELSI-RPWUZVMVSA-N 1 1 450.583 3.724 20 0 JHADMO CC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001310010357 1071055913 /nfs/dbraw/zinc/05/59/13/1071055913.db2.gz RSCJVLZXHNELSI-RPWUZVMVSA-N 1 1 450.583 3.724 20 0 JHADMO CN(CC1CC(F)C1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001314784776 1071061732 /nfs/dbraw/zinc/06/17/32/1071061732.db2.gz POPUKMOYCFALAA-GQOXECLESA-N 1 1 480.426 3.739 20 0 JHADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C[C@H]1C ZINC001310019144 1071064014 /nfs/dbraw/zinc/06/40/14/1071064014.db2.gz XNQPZSBJZUJUOW-BGYRXZFFSA-N 1 1 452.599 3.719 20 0 JHADMO 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C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001310445777 1071394533 /nfs/dbraw/zinc/39/45/33/1071394533.db2.gz TWDZGANWQDRZMV-SDDRHHMPSA-N 1 1 454.287 3.967 20 0 JHADMO 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 1071393994 /nfs/dbraw/zinc/39/39/94/1071393994.db2.gz YMKHPCPGYZMECW-HSALFYBXSA-N 1 1 482.604 3.532 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865038 1071390452 /nfs/dbraw/zinc/39/04/52/1071390452.db2.gz NOONWIVBOBINFK-RTBURBONSA-N 1 1 452.578 3.901 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@H]1C ZINC001313866394 1071396017 /nfs/dbraw/zinc/39/60/17/1071396017.db2.gz ZGWXKWHBRKPKPC-AABGKKOBSA-N 1 1 452.603 3.518 20 0 JHADMO 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 1071397967 /nfs/dbraw/zinc/39/79/67/1071397967.db2.gz LFMPDCWYKIXUIY-ZACQAIPSSA-N 1 1 478.041 3.826 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)C[C@H]1C ZINC001313867583 1071398999 /nfs/dbraw/zinc/39/89/99/1071398999.db2.gz MHYIXIIVNACSSR-CVEARBPZSA-N 1 1 454.575 3.534 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867166 1071399208 /nfs/dbraw/zinc/39/92/08/1071399208.db2.gz MEZSNJJBAQDXRK-SJORKVTESA-N 1 1 474.535 3.785 20 0 JHADMO 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 1071400679 /nfs/dbraw/zinc/40/06/79/1071400679.db2.gz MSCCYATYUCSXDD-SLFFLAALSA-N 1 1 457.619 3.696 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868552 1071405671 /nfs/dbraw/zinc/40/56/71/1071405671.db2.gz BSPSDWCPMUIJSP-SJORKVTESA-N 1 1 482.492 3.742 20 0 JHADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1C ZINC001310458749 1071402064 /nfs/dbraw/zinc/40/20/64/1071402064.db2.gz ITGBCVJZWFSAHZ-UHFFFAOYSA-N 1 1 454.497 3.594 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313868147 1071402509 /nfs/dbraw/zinc/40/25/09/1071402509.db2.gz AUTYXNVFJYUMJK-MOPGFXCFSA-N 1 1 455.006 3.915 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313868420 1071404468 /nfs/dbraw/zinc/40/44/68/1071404468.db2.gz NDAROFLRBCJNKZ-HKBOAZHASA-N 1 1 468.646 3.522 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@H]1C ZINC001313869787 1071410282 /nfs/dbraw/zinc/41/02/82/1071410282.db2.gz QNNVGKUBTLEFDJ-CVEARBPZSA-N 1 1 489.418 3.809 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@H]1C ZINC001313869502 1071407283 /nfs/dbraw/zinc/40/72/83/1071407283.db2.gz PVPSWONELRMYRY-MOPGFXCFSA-N 1 1 450.587 3.519 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@H]1C ZINC001313869279 1071408475 /nfs/dbraw/zinc/40/84/75/1071408475.db2.gz PBGPQRYMOUOBCQ-YADHBBJMSA-N 1 1 484.693 3.576 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870604 1071414112 /nfs/dbraw/zinc/41/41/12/1071414112.db2.gz FBSNDDFCZIBDIC-UXHICEINSA-N 1 1 466.596 3.980 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@@H]1C ZINC001313870634 1071414279 /nfs/dbraw/zinc/41/42/79/1071414279.db2.gz VEMCLPKJFTXSRX-RBUKOAKNSA-N 1 1 454.644 3.690 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001313871146 1071416620 /nfs/dbraw/zinc/41/66/20/1071416620.db2.gz XKTUPRFUDHICCF-RLSLOFABSA-N 1 1 453.656 3.951 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313871579 1071417633 /nfs/dbraw/zinc/41/76/33/1071417633.db2.gz URSKZIZWGRVZSL-IRXDYDNUSA-N 1 1 485.658 3.674 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871849 1071418282 /nfs/dbraw/zinc/41/82/82/1071418282.db2.gz UAGVGPCBOWSVMD-IXDOHACOSA-N 1 1 478.435 3.520 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001310476654 1071419249 /nfs/dbraw/zinc/41/92/49/1071419249.db2.gz UPPZVLWGSNBGTR-UHFFFAOYSA-N 1 1 456.440 3.515 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC001313871947 1071419258 /nfs/dbraw/zinc/41/92/58/1071419258.db2.gz VWURENBFKSKMDG-IAGOWNOFSA-N 1 1 468.005 3.919 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@H]1C ZINC001313872605 1071419807 /nfs/dbraw/zinc/41/98/07/1071419807.db2.gz JKZIPXOWNXKTDY-RTBURBONSA-N 1 1 452.603 3.542 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@H]1C ZINC001313872262 1071421027 /nfs/dbraw/zinc/42/10/27/1071421027.db2.gz VWDIXHMGVLWKCA-RTWAWAEBSA-N 1 1 466.674 3.956 20 0 JHADMO 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 1071423993 /nfs/dbraw/zinc/42/39/93/1071423993.db2.gz YKNPRIXHANGMMF-TUNNFDKTSA-N 1 1 468.646 3.568 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874168 1071428009 /nfs/dbraw/zinc/42/80/09/1071428009.db2.gz GJXGYJSSPYDBMC-MSOLQXFVSA-N 1 1 458.010 3.520 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874169 1071428025 /nfs/dbraw/zinc/42/80/25/1071428025.db2.gz GJXGYJSSPYDBMC-QZTJIDSGSA-N 1 1 458.010 3.520 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@H]1C ZINC001313873437 1071425608 /nfs/dbraw/zinc/42/56/08/1071425608.db2.gz ZTLKEBQUMIFSOU-RTBURBONSA-N 1 1 459.635 3.944 20 0 JHADMO 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 1071426472 /nfs/dbraw/zinc/42/64/72/1071426472.db2.gz FFWFEHWYMOHEKZ-BMCPXHGSSA-N 1 1 498.455 3.623 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313874316 1071427143 /nfs/dbraw/zinc/42/71/43/1071427143.db2.gz NLHPNLGCZACCSM-ROUUACIJSA-N 1 1 461.054 3.604 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874039 1071427289 /nfs/dbraw/zinc/42/72/89/1071427289.db2.gz FYQNTZJQDAMGST-RTBURBONSA-N 1 1 473.572 3.708 20 0 JHADMO CCN1C[C@@H](CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001313874643 1071429521 /nfs/dbraw/zinc/42/95/21/1071429521.db2.gz BRTMKFZAAWPMOI-OAQYLSRUSA-N 1 1 463.630 3.794 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)NCCC(C)(C)S(C)(=O)=O)cc1)C[C@@H]1CCCCO1 ZINC001310491403 1071430685 /nfs/dbraw/zinc/43/06/85/1071430685.db2.gz VJAPWLHEXITQOT-NRFANRHFSA-N 1 1 453.649 3.801 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313874857 1071431150 /nfs/dbraw/zinc/43/11/50/1071431150.db2.gz OKMPAVAVNALIAZ-LSDHHAIUSA-N 1 1 461.479 3.993 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001314958869 1071431427 /nfs/dbraw/zinc/43/14/27/1071431427.db2.gz DDQZQWBNDIXSOT-KRWDZBQOSA-N 1 1 467.593 3.511 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@H]1C ZINC001313875254 1071432701 /nfs/dbraw/zinc/43/27/01/1071432701.db2.gz PTOPMDVXUMGJHH-MSOLQXFVSA-N 1 1 454.644 3.804 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313875260 1071433054 /nfs/dbraw/zinc/43/30/54/1071433054.db2.gz PTOPMDVXUMGJHH-ZWKOTPCHSA-N 1 1 454.644 3.804 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876482 1071438475 /nfs/dbraw/zinc/43/84/75/1071438475.db2.gz OYEFLJOHPSSVCK-PMACEKPBSA-N 1 1 482.595 3.969 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313877318 1071441483 /nfs/dbraw/zinc/44/14/83/1071441483.db2.gz WQBQUKFDRLCDCD-FCHUYYIVSA-N 1 1 452.647 3.965 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313877890 1071443203 /nfs/dbraw/zinc/44/32/03/1071443203.db2.gz XKHKREJINDACDL-MSOLQXFVSA-N 1 1 475.037 3.996 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313878341 1071444539 /nfs/dbraw/zinc/44/45/39/1071444539.db2.gz UHRDZQYIOHSZTN-FHWLQOOXSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878860 1071445896 /nfs/dbraw/zinc/44/58/96/1071445896.db2.gz ZHQLTBMQZDLTMI-DLBZAZTESA-N 1 1 473.021 3.921 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313878638 1071445381 /nfs/dbraw/zinc/44/53/81/1071445381.db2.gz WQZDMMICKHPHJX-DLBZAZTESA-N 1 1 474.531 3.679 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001313879129 1071447868 /nfs/dbraw/zinc/44/78/68/1071447868.db2.gz YDGNKKNLFWXKJZ-NZWIATRBSA-N 1 1 487.714 3.985 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001313879129 1071447874 /nfs/dbraw/zinc/44/78/74/1071447874.db2.gz YDGNKKNLFWXKJZ-NZWIATRBSA-N 1 1 487.714 3.985 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@@H]1C ZINC001313879365 1071449560 /nfs/dbraw/zinc/44/95/60/1071449560.db2.gz ZNPZTPITRRUFFX-PMACEKPBSA-N 1 1 450.587 3.536 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313884085 1071463415 /nfs/dbraw/zinc/46/34/15/1071463415.db2.gz KUIHSHLQWDZRGR-SOUVJXGZSA-N 1 1 458.554 3.767 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001313882996 1071460404 /nfs/dbraw/zinc/46/04/04/1071460404.db2.gz CIVRKPYLSXRJRD-GBESFXJTSA-N 1 1 476.021 3.803 20 0 JHADMO 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 1071460419 /nfs/dbraw/zinc/46/04/19/1071460419.db2.gz IHOKTKXAIQKCMR-XDWAVFMPSA-N 1 1 476.666 3.694 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314973079 1071461429 /nfs/dbraw/zinc/46/14/29/1071461429.db2.gz LHEAQDLDSFIVEX-AVRWGWEMSA-N 1 1 456.610 3.557 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001313883837 1071462872 /nfs/dbraw/zinc/46/28/72/1071462872.db2.gz KIBAZIGOANJZPS-WOJBJXKFSA-N 1 1 486.636 3.640 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001313884835 1071465086 /nfs/dbraw/zinc/46/50/86/1071465086.db2.gz NTEOORKZINZILW-NHCUHLMSSA-N 1 1 483.686 3.689 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313885041 1071465857 /nfs/dbraw/zinc/46/58/57/1071465857.db2.gz WHNSLHXKUXONHK-ACRUOGEOSA-N 1 1 486.636 3.592 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001313885133 1071466464 /nfs/dbraw/zinc/46/64/64/1071466464.db2.gz ACNNNHHBNXZUHH-HNNXBMFYSA-N 1 1 495.441 3.539 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001313885256 1071466526 /nfs/dbraw/zinc/46/65/26/1071466526.db2.gz BFARFJINQXGUTB-QZTJIDSGSA-N 1 1 492.462 3.921 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885519 1071467141 /nfs/dbraw/zinc/46/71/41/1071467141.db2.gz PGBOHNDCLNSXQI-TXPKVOOTSA-N 1 1 495.409 3.701 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001313886062 1071469020 /nfs/dbraw/zinc/46/90/20/1071469020.db2.gz LTBFSHRBNPQGQW-GGAORHGYSA-N 1 1 482.673 3.769 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001313886840 1071471282 /nfs/dbraw/zinc/47/12/82/1071471282.db2.gz BMEDDCAZEABWCM-QZTJIDSGSA-N 1 1 492.462 3.921 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001313888686 1071478253 /nfs/dbraw/zinc/47/82/53/1071478253.db2.gz XHRGLYPGZKVZPO-YDHSSHFGSA-N 1 1 461.701 3.666 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(CO)CC2)C1 ZINC001313889111 1071479467 /nfs/dbraw/zinc/47/94/67/1071479467.db2.gz JRQGWLMAIMGIRD-INIZCTEOSA-N 1 1 482.854 3.912 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001313890095 1071481547 /nfs/dbraw/zinc/48/15/47/1071481547.db2.gz MEOAMYMFNZQEDN-FQEVSTJZSA-N 1 1 452.647 3.676 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)C1 ZINC001313890776 1071483062 /nfs/dbraw/zinc/48/30/62/1071483062.db2.gz PNECYGVUVSNKNY-YSIASYRMSA-N 1 1 458.607 3.620 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(C)C)CC1 ZINC001313892326 1071487067 /nfs/dbraw/zinc/48/70/67/1071487067.db2.gz DSLYTJIGAGERPT-JOCHJYFZSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313892595 1071487878 /nfs/dbraw/zinc/48/78/78/1071487878.db2.gz GGBXBIZRJXMKDT-HKUYNNGSSA-N 1 1 477.053 3.907 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893998 1071491748 /nfs/dbraw/zinc/49/17/48/1071491748.db2.gz RRWYHBABWDBXKH-VQTJNVASSA-N 1 1 470.618 3.541 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001313892925 1071488594 /nfs/dbraw/zinc/48/85/94/1071488594.db2.gz MSUDWUYIXMKEEK-OAQYLSRUSA-N 1 1 485.677 3.709 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313893343 1071490242 /nfs/dbraw/zinc/49/02/42/1071490242.db2.gz DBRZUAWTBZYNRQ-YSIASYRMSA-N 1 1 474.675 3.622 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313893997 1071491676 /nfs/dbraw/zinc/49/16/76/1071491676.db2.gz RRWYHBABWDBXKH-PMACEKPBSA-N 1 1 470.618 3.541 20 0 JHADMO 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 1071487015 /nfs/dbraw/zinc/48/70/15/1071487015.db2.gz CZIMUSCPRPNSKP-SFHLNBCPSA-N 1 1 491.080 3.991 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccc(C)s2)C1 ZINC001313894094 1071492503 /nfs/dbraw/zinc/49/25/03/1071492503.db2.gz GVGCHZFRLROLBT-QGZVFWFLSA-N 1 1 458.657 3.618 20 0 JHADMO CCn1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)cn1 ZINC001313894858 1071494838 /nfs/dbraw/zinc/49/48/38/1071494838.db2.gz XKDGJQMIVVIUDK-ICSRJNTNSA-N 1 1 455.582 3.894 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2SC)C1 ZINC001313894901 1071494998 /nfs/dbraw/zinc/49/49/98/1071494998.db2.gz JOPCNFIKTAAFGN-HXUWFJFHSA-N 1 1 453.660 3.840 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894907 1071495738 /nfs/dbraw/zinc/49/57/38/1071495738.db2.gz DYTRQFAIYIEKNK-ZBFHGGJFSA-N 1 1 496.837 3.845 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](COC)C1 ZINC001313895394 1071497221 /nfs/dbraw/zinc/49/72/21/1071497221.db2.gz HVEPCDUDTCYYNM-UXHICEINSA-N 1 1 457.619 3.700 20 0 JHADMO 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 1071498740 /nfs/dbraw/zinc/49/87/40/1071498740.db2.gz LMPZZVQRECDKLA-ZIFCJYIRSA-N 1 1 481.613 3.560 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313895866 1071498786 /nfs/dbraw/zinc/49/87/86/1071498786.db2.gz LGDNFWWOLLQYAA-WIYYLYMNSA-N 1 1 497.562 3.993 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313895865 1071498807 /nfs/dbraw/zinc/49/88/07/1071498807.db2.gz LGDNFWWOLLQYAA-RXVVDRJESA-N 1 1 497.562 3.993 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314988738 1071502048 /nfs/dbraw/zinc/50/20/48/1071502048.db2.gz MAGQJENSXGHJCF-NLWGTHIKSA-N 1 1 490.599 3.629 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313897347 1071502090 /nfs/dbraw/zinc/50/20/90/1071502090.db2.gz VDPXJUWOCFHVOG-ISKFKSNPSA-N 1 1 480.701 3.782 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001313897284 1071502161 /nfs/dbraw/zinc/50/21/61/1071502161.db2.gz XCYBATKAYNAMJB-SFHVURJKSA-N 1 1 485.576 3.612 20 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CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC(C)C)C(C)C ZINC001313900411 1071509590 /nfs/dbraw/zinc/50/95/90/1071509590.db2.gz ONLOYJCHILKBEY-QFIPXVFZSA-N 1 1 454.667 3.807 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCSC ZINC001313900963 1071510298 /nfs/dbraw/zinc/51/02/98/1071510298.db2.gz SVUFJVMPIVRPIH-PZJWPPBQSA-N 1 1 472.707 3.514 20 0 JHADMO 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 ZINC001313900730 1071510405 /nfs/dbraw/zinc/51/04/05/1071510405.db2.gz RVGURAKRWSWRMF-HSALFYBXSA-N 1 1 460.667 3.654 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313901281 1071511230 /nfs/dbraw/zinc/51/12/30/1071511230.db2.gz FQWATBIDMZCWRN-PMACEKPBSA-N 1 1 456.610 3.557 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902163 1071513136 /nfs/dbraw/zinc/51/31/36/1071513136.db2.gz KFSLKZUBXNMVFQ-QUCCMNQESA-N 1 1 471.650 3.887 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313902308 1071513208 /nfs/dbraw/zinc/51/32/08/1071513208.db2.gz FJMWBVNXLSTHJD-OAQYLSRUSA-N 1 1 484.645 3.707 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@H]1CCCOC1 ZINC001313902344 1071513550 /nfs/dbraw/zinc/51/35/50/1071513550.db2.gz GFKYCAJGGRWZSV-UXHICEINSA-N 1 1 459.660 3.926 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 ZINC001313903022 1071515139 /nfs/dbraw/zinc/51/51/39/1071515139.db2.gz KKTQQUHRZFTTMH-LJQANCHMSA-N 1 1 456.591 3.529 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001314997074 1071515735 /nfs/dbraw/zinc/51/57/35/1071515735.db2.gz OIRYKGOXYDBMHX-FQEVSTJZSA-N 1 1 486.636 3.613 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313903860 1071516841 /nfs/dbraw/zinc/51/68/41/1071516841.db2.gz FAYALEIPXHXSJI-YPAWHYETSA-N 1 1 468.646 3.576 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001313904176 1071517197 /nfs/dbraw/zinc/51/71/97/1071517197.db2.gz PRLXSHPHOBSYNT-MRXNPFEDSA-N 1 1 492.571 3.808 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313904309 1071517428 /nfs/dbraw/zinc/51/74/28/1071517428.db2.gz TURVFRIZKSZDTC-FGZHOGPDSA-N 1 1 452.647 3.726 20 0 JHADMO 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 1071525149 /nfs/dbraw/zinc/52/51/49/1071525149.db2.gz YCINFXZUGCYTAG-RZUBCFFCSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313905197 1071520768 /nfs/dbraw/zinc/52/07/68/1071520768.db2.gz NRZHCDWRIHSROM-WBVHZDCISA-N 1 1 466.399 3.946 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001315000598 1071522151 /nfs/dbraw/zinc/52/21/51/1071522151.db2.gz DSNXSCKEKURMJH-UHFFFAOYSA-N 1 1 489.064 3.834 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313906101 1071523360 /nfs/dbraw/zinc/52/33/60/1071523360.db2.gz SLJYCOATTPLBTN-MOPGFXCFSA-N 1 1 495.466 3.540 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313908665 1071531086 /nfs/dbraw/zinc/53/10/86/1071531086.db2.gz AOJOZYLMDXWJAK-NJYVYQBISA-N 1 1 460.667 3.525 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)C1 ZINC001313909210 1071530798 /nfs/dbraw/zinc/53/07/98/1071530798.db2.gz PQDODOUXDXFDDH-MRXNPFEDSA-N 1 1 495.853 3.514 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313909627 1071532316 /nfs/dbraw/zinc/53/23/16/1071532316.db2.gz RTMGWJOYQQMWEJ-INIZCTEOSA-N 1 1 478.979 3.966 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313910036 1071533857 /nfs/dbraw/zinc/53/38/57/1071533857.db2.gz UMMLKIWKGMJRHH-WZONZLPQSA-N 1 1 489.462 3.592 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001313910035 1071534052 /nfs/dbraw/zinc/53/40/52/1071534052.db2.gz UMMLKIWKGMJRHH-MBSDFSHPSA-N 1 1 489.462 3.592 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001313910571 1071535902 /nfs/dbraw/zinc/53/59/02/1071535902.db2.gz WZFOKRLCRADJLB-HZPDHXFCSA-N 1 1 495.491 3.735 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313913081 1071541853 /nfs/dbraw/zinc/54/18/53/1071541853.db2.gz KJBUAYWDDDOGMQ-IRLDBZIGSA-N 1 1 482.673 3.731 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(CO)CC1 ZINC001313912972 1071541900 /nfs/dbraw/zinc/54/19/00/1071541900.db2.gz JRLJCCCZDSQVIK-FQEVSTJZSA-N 1 1 459.660 3.662 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313911879 1071538509 /nfs/dbraw/zinc/53/85/09/1071538509.db2.gz SHEPSALRRXEKPF-IBGZPJMESA-N 1 1 489.571 3.799 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313911931 1071539057 /nfs/dbraw/zinc/53/90/57/1071539057.db2.gz FNHCPGYAHHUMCJ-UYAOXDASSA-N 1 1 467.536 3.807 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001313912384 1071540065 /nfs/dbraw/zinc/54/00/65/1071540065.db2.gz IKCMVSCOLMCGDK-JOCHJYFZSA-N 1 1 451.619 3.718 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315020232 1071540199 /nfs/dbraw/zinc/54/01/99/1071540199.db2.gz LSDLTZTZTSNMRU-OYRHEFFESA-N 1 1 482.673 3.674 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315022682 1071544863 /nfs/dbraw/zinc/54/48/63/1071544863.db2.gz VSMQMJIMYZVHMT-KRWDZBQOSA-N 1 1 477.028 3.822 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315024965 1071548709 /nfs/dbraw/zinc/54/87/09/1071548709.db2.gz WDKBKOZAULFHTD-HXUWFJFHSA-N 1 1 488.627 3.620 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915822 1071551532 /nfs/dbraw/zinc/55/15/32/1071551532.db2.gz TZTMYPHOQJZHRF-RXFWQSSRSA-N 1 1 487.645 3.978 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCc3ccc(Br)cc3C2)CC1 ZINC001313920761 1071559301 /nfs/dbraw/zinc/55/93/01/1071559301.db2.gz MGYQJPFYQGXFQC-SFHVURJKSA-N 1 1 475.479 3.753 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920473 1071558572 /nfs/dbraw/zinc/55/85/72/1071558572.db2.gz JFYVOXOKUCSETM-IBGZPJMESA-N 1 1 468.671 3.986 20 0 JHADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921491 1071562046 /nfs/dbraw/zinc/56/20/46/1071562046.db2.gz MXAIFPYBNDJRQB-FYYLOGMGSA-N 1 1 482.673 3.653 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(Cl)c4)n3CC(F)(F)F)CC2)CC1 ZINC001313921999 1071563197 /nfs/dbraw/zinc/56/31/97/1071563197.db2.gz BSBSVYBOIYFNQP-UHFFFAOYSA-N 1 1 498.981 3.931 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)cc3)CC2)CC1 ZINC001313922065 1071563559 /nfs/dbraw/zinc/56/35/59/1071563559.db2.gz CGIYUYGPSRDWNQ-UHFFFAOYSA-N 1 1 484.664 3.825 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)CCC(C)C)CC2)CC1 ZINC001313923628 1071567397 /nfs/dbraw/zinc/56/73/97/1071567397.db2.gz ROLWUJGJCPPXSQ-HHHXNRCGSA-N 1 1 490.737 3.533 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[C@H]3C)CC2)CC1 ZINC001313923817 1071568087 /nfs/dbraw/zinc/56/80/87/1071568087.db2.gz UQQWWJCTKJHEKN-IFMALSPDSA-N 1 1 458.695 3.782 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923907 1071568837 /nfs/dbraw/zinc/56/88/37/1071568837.db2.gz APPACAGMXZUUBO-OTWHNJEPSA-N 1 1 464.580 3.838 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3C)CC2)CC1 ZINC001313924165 1071569501 /nfs/dbraw/zinc/56/95/01/1071569501.db2.gz ZQEGQOFZKWWSCD-QHCPKHFHSA-N 1 1 496.700 3.948 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924449 1071570910 /nfs/dbraw/zinc/57/09/10/1071570910.db2.gz GBWGMRWYJCCZAI-UYAOXDASSA-N 1 1 480.579 3.758 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926120 1071575610 /nfs/dbraw/zinc/57/56/10/1071575610.db2.gz CMGKGYHNQGEWEC-QHCPKHFHSA-N 1 1 467.706 3.528 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924954 1071572277 /nfs/dbraw/zinc/57/22/77/1071572277.db2.gz KCZRNNGCXGCZOO-LEWJYISDSA-N 1 1 463.630 3.572 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313925370 1071573212 /nfs/dbraw/zinc/57/32/12/1071573212.db2.gz PDOATOWCVUBGEV-RTBURBONSA-N 1 1 471.650 3.807 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926178 1071575375 /nfs/dbraw/zinc/57/53/75/1071575375.db2.gz ATPBUMWZHNISDD-UGKGYDQZSA-N 1 1 475.081 3.833 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926756 1071577545 /nfs/dbraw/zinc/57/75/45/1071577545.db2.gz XVIVUQLEUBRZPC-IBGZPJMESA-N 1 1 492.615 3.612 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313927086 1071578729 /nfs/dbraw/zinc/57/87/29/1071578729.db2.gz ZYICGDGLGDQYQL-QGZVFWFLSA-N 1 1 460.001 3.728 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313927184 1071579354 /nfs/dbraw/zinc/57/93/54/1071579354.db2.gz HLEGFJKPNJWCEK-NZQKXSOJSA-N 1 1 472.653 3.610 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927417 1071579824 /nfs/dbraw/zinc/57/98/24/1071579824.db2.gz KRBARURYQVKBJD-MYDTUXCISA-N 1 1 460.711 3.849 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313931443 1071590417 /nfs/dbraw/zinc/59/04/17/1071590417.db2.gz DSFMCLSSOQRNKV-GOSISDBHSA-N 1 1 475.563 3.826 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001313931287 1071591568 /nfs/dbraw/zinc/59/15/68/1071591568.db2.gz QPLLOCZBPDODLG-HNNXBMFYSA-N 1 1 488.061 3.514 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931341 1071591695 /nfs/dbraw/zinc/59/16/95/1071591695.db2.gz XYALSEZLNJEXTL-RBBKRZOGSA-N 1 1 458.651 3.584 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931972 1071594396 /nfs/dbraw/zinc/59/43/96/1071594396.db2.gz VISLCHXELGUUGN-QGZVFWFLSA-N 1 1 477.535 3.625 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC001313932281 1071594942 /nfs/dbraw/zinc/59/49/42/1071594942.db2.gz HUUIMPOSDRZXEH-VGSWGCGISA-N 1 1 481.483 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001313933412 1071597948 /nfs/dbraw/zinc/59/79/48/1071597948.db2.gz LKLPFAVXAYEESO-GOSISDBHSA-N 1 1 489.462 3.641 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)C[C@@H]1C ZINC001313933589 1071598346 /nfs/dbraw/zinc/59/83/46/1071598346.db2.gz PAVNCHOZRONOQE-MSOLQXFVSA-N 1 1 463.717 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSC(C)C)C[C@@H]1C ZINC001313933606 1071598583 /nfs/dbraw/zinc/59/85/83/1071598583.db2.gz LQQZOPZDCDEVDY-KRWDZBQOSA-N 1 1 463.648 3.643 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599135 /nfs/dbraw/zinc/59/91/35/1071599135.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 1 1 478.483 3.831 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599145 /nfs/dbraw/zinc/59/91/45/1071599145.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313934753 1071603575 /nfs/dbraw/zinc/60/35/75/1071603575.db2.gz VMFDRMMZMTXCTG-FQEVSTJZSA-N 1 1 475.703 3.988 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@H]1C ZINC001313933818 1071599872 /nfs/dbraw/zinc/59/98/72/1071599872.db2.gz LYCMOLZJDDYXCN-GOSISDBHSA-N 1 1 465.577 3.573 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313934099 1071600455 /nfs/dbraw/zinc/60/04/55/1071600455.db2.gz SEUMSVQMJNRNRG-QZTJIDSGSA-N 1 1 458.676 3.577 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313934114 1071601131 /nfs/dbraw/zinc/60/11/31/1071601131.db2.gz OLYDBCFDQLBRBJ-UQBPGWFLSA-N 1 1 482.654 3.647 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934212 1071601583 /nfs/dbraw/zinc/60/15/83/1071601583.db2.gz QNJWAUQIKHSZAV-ZWKOTPCHSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C2CC2)C[C@@H]1C ZINC001313934327 1071601890 /nfs/dbraw/zinc/60/18/90/1071601890.db2.gz RHZWCKYXUDKYOI-IFXJQAMLSA-N 1 1 466.399 3.802 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001313935347 1071604763 /nfs/dbraw/zinc/60/47/63/1071604763.db2.gz YMIKSYAIGMIOLP-SFHVURJKSA-N 1 1 499.457 3.602 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313935143 1071604922 /nfs/dbraw/zinc/60/49/22/1071604922.db2.gz XNSFXLPZXGLTTG-IBGZPJMESA-N 1 1 472.703 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001313935379 1071605333 /nfs/dbraw/zinc/60/53/33/1071605333.db2.gz YROLVLXZKIQEPF-QGZVFWFLSA-N 1 1 489.462 3.592 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@@H]1C ZINC001313935787 1071606770 /nfs/dbraw/zinc/60/67/70/1071606770.db2.gz YQYPZHHJQYOWQL-KKSFZXQISA-N 1 1 498.491 3.721 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313936322 1071607923 /nfs/dbraw/zinc/60/79/23/1071607923.db2.gz DHDCIEJVWKOSKS-GOSISDBHSA-N 1 1 457.619 3.735 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001313936537 1071608612 /nfs/dbraw/zinc/60/86/12/1071608612.db2.gz PTMVWJXQMMBBJO-OAHLLOKOSA-N 1 1 456.616 3.614 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313936560 1071609020 /nfs/dbraw/zinc/60/90/20/1071609020.db2.gz GDIPHDQHHVPCSO-OXQOHEQNSA-N 1 1 478.435 3.870 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313937136 1071610239 /nfs/dbraw/zinc/61/02/39/1071610239.db2.gz TYXGIGWZYDEOHS-INIZCTEOSA-N 1 1 487.450 3.633 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)OC)C[C@@H]1C ZINC001313940600 1071615401 /nfs/dbraw/zinc/61/54/01/1071615401.db2.gz OPRSIMKYWRRCHQ-RBUKOAKNSA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313937491 1071611370 /nfs/dbraw/zinc/61/13/70/1071611370.db2.gz VIBOHNZSWJHKCO-OALUTQOASA-N 1 1 472.634 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313937510 1071611467 /nfs/dbraw/zinc/61/14/67/1071611467.db2.gz VPEUKJGYODFRDX-IBGZPJMESA-N 1 1 486.661 3.576 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313938532 1071612093 /nfs/dbraw/zinc/61/20/93/1071612093.db2.gz KFMHDKNSYIKYQC-INIZCTEOSA-N 1 1 478.494 3.999 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313938309 1071612146 /nfs/dbraw/zinc/61/21/46/1071612146.db2.gz ZBEMFYVWMDNMDV-LJQANCHMSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313938683 1071612218 /nfs/dbraw/zinc/61/22/18/1071612218.db2.gz WHHAZLARMCEZEL-LPHOPBHVSA-N 1 1 464.010 3.769 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313939418 1071613335 /nfs/dbraw/zinc/61/33/35/1071613335.db2.gz DKQJFIQXEGBWGD-DNVCBOLYSA-N 1 1 450.509 3.924 20 0 JHADMO 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 1071616128 /nfs/dbraw/zinc/61/61/28/1071616128.db2.gz RETBGJMOTCOPIP-CUDBPUKSSA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941391 1071616902 /nfs/dbraw/zinc/61/69/02/1071616902.db2.gz CGRJLQZWZRYUEE-VABKMULXSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941391 1071616906 /nfs/dbraw/zinc/61/69/06/1071616906.db2.gz CGRJLQZWZRYUEE-VABKMULXSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617028 /nfs/dbraw/zinc/61/70/28/1071617028.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617034 /nfs/dbraw/zinc/61/70/34/1071617034.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313943243 1071622003 /nfs/dbraw/zinc/62/20/03/1071622003.db2.gz QQBPRLIYIUYLPG-HXUWFJFHSA-N 1 1 465.646 3.661 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313942027 1071618839 /nfs/dbraw/zinc/61/88/39/1071618839.db2.gz GYQCPDDAFZWONT-RLWLMLJZSA-N 1 1 455.647 3.946 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945894 1071627338 /nfs/dbraw/zinc/62/73/38/1071627338.db2.gz WZMCWMBNNNCQID-IFMALSPDSA-N 1 1 458.626 3.820 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC001313943300 1071622692 /nfs/dbraw/zinc/62/26/92/1071622692.db2.gz RHIHXNSBEHKIAZ-QGZVFWFLSA-N 1 1 493.990 3.973 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313944226 1071624578 /nfs/dbraw/zinc/62/45/78/1071624578.db2.gz BYYQHGRNQMQXJH-SFHVURJKSA-N 1 1 469.431 3.914 20 0 JHADMO CCN1CCN(C2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC[N@@H+](C)C(C)C)CC2)C1=O ZINC001313945330 1071626056 /nfs/dbraw/zinc/62/60/56/1071626056.db2.gz NBJSHWDFNXTRKJ-UHFFFAOYSA-N 1 1 474.053 3.665 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)CC1 ZINC001313946977 1071630471 /nfs/dbraw/zinc/63/04/71/1071630471.db2.gz IPJOCPHEVVXDOR-OAQYLSRUSA-N 1 1 473.735 3.906 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313948590 1071634010 /nfs/dbraw/zinc/63/40/10/1071634010.db2.gz LRICYCNZMBNJSA-IBGZPJMESA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001313948746 1071634527 /nfs/dbraw/zinc/63/45/27/1071634527.db2.gz HPWSYRDFLODOAJ-HYBUGGRVSA-N 1 1 493.121 3.601 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313949728 1071636910 /nfs/dbraw/zinc/63/69/10/1071636910.db2.gz QVSQCJMPAQNLGC-LJQANCHMSA-N 1 1 458.676 3.572 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949765 1071637040 /nfs/dbraw/zinc/63/70/40/1071637040.db2.gz RPEXABHANOJWRD-FCHUYYIVSA-N 1 1 470.662 3.518 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313950443 1071638705 /nfs/dbraw/zinc/63/87/05/1071638705.db2.gz PHYLZGJCAMTKJC-MJGOQNOKSA-N 1 1 468.568 3.899 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951027 1071640065 /nfs/dbraw/zinc/64/00/65/1071640065.db2.gz CTCUGPHRZCVRDA-AOHZBQACSA-N 1 1 454.663 3.643 20 0 JHADMO 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 1071640515 /nfs/dbraw/zinc/64/05/15/1071640515.db2.gz ZSSSYCFASAMUTR-HCXYKTFWSA-N 1 1 489.690 3.839 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313952374 1071645208 /nfs/dbraw/zinc/64/52/08/1071645208.db2.gz PHWPJATVAZCPAX-QFIPXVFZSA-N 1 1 471.669 3.673 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001313951338 1071641673 /nfs/dbraw/zinc/64/16/73/1071641673.db2.gz GKHRSCRPSFCTIC-UHFFFAOYSA-N 1 1 475.081 3.879 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313951331 1071641811 /nfs/dbraw/zinc/64/18/11/1071641811.db2.gz GFWDJXYQJPGKDN-MOPGFXCFSA-N 1 1 492.510 3.936 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951492 1071642368 /nfs/dbraw/zinc/64/23/68/1071642368.db2.gz ISFJPGGCECQXLK-CEMLEFRQSA-N 1 1 496.691 3.952 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313951525 1071642397 /nfs/dbraw/zinc/64/23/97/1071642397.db2.gz JISZNRKHVFHEKN-UHFFFAOYSA-N 1 1 492.615 3.616 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951887 1071643609 /nfs/dbraw/zinc/64/36/09/1071643609.db2.gz MAMZJDGNVNIUOF-DEOSSOPVSA-N 1 1 496.744 3.671 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952008 1071643643 /nfs/dbraw/zinc/64/36/43/1071643643.db2.gz CLROHMJGGDFISJ-NRFANRHFSA-N 1 1 454.663 3.854 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952105 1071644513 /nfs/dbraw/zinc/64/45/13/1071644513.db2.gz NBGZHBNCLFBZJP-AUSIDOKSSA-N 1 1 491.080 3.702 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313953047 1071647108 /nfs/dbraw/zinc/64/71/08/1071647108.db2.gz FOXSZWKZENZOQA-WOJBJXKFSA-N 1 1 461.054 3.630 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313953000 1071647254 /nfs/dbraw/zinc/64/72/54/1071647254.db2.gz CYGOPYPOPJMKBG-HXUWFJFHSA-N 1 1 461.054 3.631 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313953750 1071650063 /nfs/dbraw/zinc/65/00/63/1071650063.db2.gz KRASRCNWVWXCQY-LJQANCHMSA-N 1 1 492.590 3.926 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313954045 1071650082 /nfs/dbraw/zinc/65/00/82/1071650082.db2.gz NESKZWHZBIYDOF-UHFFFAOYSA-N 1 1 490.450 3.683 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313954322 1071651274 /nfs/dbraw/zinc/65/12/74/1071651274.db2.gz NYCYOZBELUTCGR-OAQYLSRUSA-N 1 1 479.648 3.740 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313954740 1071652833 /nfs/dbraw/zinc/65/28/33/1071652833.db2.gz PFBLKWVCJNFEBI-OAQYLSRUSA-N 1 1 471.719 3.726 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954835 1071652884 /nfs/dbraw/zinc/65/28/84/1071652884.db2.gz QCXJQXBCQKDUGF-ONTHSEAMSA-N 1 1 486.730 3.754 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954834 1071653011 /nfs/dbraw/zinc/65/30/11/1071653011.db2.gz QCXJQXBCQKDUGF-IIVSKPMISA-N 1 1 486.730 3.754 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 ZINC001313954889 1071653746 /nfs/dbraw/zinc/65/37/46/1071653746.db2.gz WJTAAMBFJUOFQU-GGAORHGYSA-N 1 1 474.719 3.922 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313955649 1071656072 /nfs/dbraw/zinc/65/60/72/1071656072.db2.gz YBUORHQLZXBPAT-NHCUHLMSSA-N 1 1 472.703 3.702 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313956210 1071657402 /nfs/dbraw/zinc/65/74/02/1071657402.db2.gz XTNXRSNGPGXWQU-DHIUTWEWSA-N 1 1 461.658 3.854 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313958012 1071662483 /nfs/dbraw/zinc/66/24/83/1071662483.db2.gz MWRJBACKXMMPGM-UHFFFAOYSA-N 1 1 498.079 3.571 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313956468 1071658013 /nfs/dbraw/zinc/65/80/13/1071658013.db2.gz MQUUZMQMLGMPAZ-RJGXRXQPSA-N 1 1 454.663 3.674 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC001313956810 1071658687 /nfs/dbraw/zinc/65/86/87/1071658687.db2.gz LJIPGLOVLSBWGN-QHCPKHFHSA-N 1 1 472.653 3.611 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001313957112 1071659459 /nfs/dbraw/zinc/65/94/59/1071659459.db2.gz OTBGJMHSZJEXQT-RPWUZVMVSA-N 1 1 452.691 3.963 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957539 1071660628 /nfs/dbraw/zinc/66/06/28/1071660628.db2.gz WAMYMPDWLJBXTK-XUZZJYLKSA-N 1 1 470.662 3.753 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957541 1071660786 /nfs/dbraw/zinc/66/07/86/1071660786.db2.gz WAMYMPDWLJBXTK-ZJSXRUAMSA-N 1 1 470.662 3.753 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313958084 1071663036 /nfs/dbraw/zinc/66/30/36/1071663036.db2.gz PFITWSFESVPCET-FQEVSTJZSA-N 1 1 451.594 3.704 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957752 1071661368 /nfs/dbraw/zinc/66/13/68/1071661368.db2.gz ZAZANRWUVYAQRS-JOCHJYFZSA-N 1 1 479.044 3.976 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001313958240 1071663492 /nfs/dbraw/zinc/66/34/92/1071663492.db2.gz QZZYSHJIGJNMND-UHFFFAOYSA-N 1 1 475.081 3.879 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313958233 1071663497 /nfs/dbraw/zinc/66/34/97/1071663497.db2.gz QTZGZHMTQFKHSK-HXUWFJFHSA-N 1 1 460.070 3.894 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958320 1071663523 /nfs/dbraw/zinc/66/35/23/1071663523.db2.gz VVBXJSGAFSRDLV-LJQANCHMSA-N 1 1 485.677 3.683 20 0 JHADMO CCN1CC[NH+](CCCn2c(N(C)Cc3nc(C(F)(F)F)cs3)nnc2C(C)(C)C)CC1 ZINC001313959354 1071666945 /nfs/dbraw/zinc/66/69/45/1071666945.db2.gz QPWYIJFDDVNTJH-UHFFFAOYSA-N 1 1 473.613 3.715 20 0 JHADMO CCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1CCCN1CC[NH+](CC)CC1 ZINC001313959958 1071667353 /nfs/dbraw/zinc/66/73/53/1071667353.db2.gz CRCAZEWXNSKRSW-UHFFFAOYSA-N 1 1 475.479 3.972 20 0 JHADMO CCn1nc(-c2nnc(N(C)CCC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2c1=O ZINC001313959826 1071668084 /nfs/dbraw/zinc/66/80/84/1071668084.db2.gz AAXQFIWKVPEMDM-OAQYLSRUSA-N 1 1 495.672 3.658 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313959940 1071668166 /nfs/dbraw/zinc/66/81/66/1071668166.db2.gz CPXRSJMWGXWSIW-BGYRXZFFSA-N 1 1 478.607 3.763 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313960775 1071671077 /nfs/dbraw/zinc/67/10/77/1071671077.db2.gz MNENWRRLOYOLLJ-HSZRJFAPSA-N 1 1 484.689 3.505 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313966352 1071686280 /nfs/dbraw/zinc/68/62/80/1071686280.db2.gz BSGNFVPMNNFWKR-UHFFFAOYSA-N 1 1 470.662 3.673 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313999928 1071736973 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CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306326551 1068764220 /nfs/dbraw/zinc/76/42/20/1068764220.db2.gz ZINHPRONOARIQV-QZTJIDSGSA-N 1 1 457.541 3.742 20 0 JHADMO CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306334551 1068772080 /nfs/dbraw/zinc/77/20/80/1068772080.db2.gz DHOIXJDLRHFFMZ-LADGPHEKSA-N 1 1 466.674 3.746 20 0 JHADMO CC[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[NH+]1CCN(CC)CC1 ZINC001306343537 1068780152 /nfs/dbraw/zinc/78/01/52/1068780152.db2.gz VIUFDARKMRKXRS-RTWAWAEBSA-N 1 1 458.626 3.964 20 0 JHADMO CC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306347599 1068784782 /nfs/dbraw/zinc/78/47/82/1068784782.db2.gz QOFZYJAFLKDIPV-MJGOQNOKSA-N 1 1 479.467 3.926 20 0 JHADMO CC[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001306358031 1068793176 /nfs/dbraw/zinc/79/31/76/1068793176.db2.gz TYNMYMOFOVDMSW-ICSRJNTNSA-N 1 1 492.462 3.967 20 0 JHADMO CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001306377278 1068809327 /nfs/dbraw/zinc/80/93/27/1068809327.db2.gz UQSLFEHHAPTBOG-LEWJYISDSA-N 1 1 476.666 3.697 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](C)COCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306387251 1068821309 /nfs/dbraw/zinc/82/13/09/1068821309.db2.gz DBMQRADGFYTJNO-JRFVFWCSSA-N 1 1 469.674 3.976 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC[N@H+]1CCOC ZINC001306388002 1068822823 /nfs/dbraw/zinc/82/28/23/1068822823.db2.gz HPZAPMPWYDRPHH-JWQCQUIFSA-N 1 1 498.716 3.505 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC[N@H+]1CCOC ZINC001306388010 1068822971 /nfs/dbraw/zinc/82/29/71/1068822971.db2.gz HPZAPMPWYDRPHH-LOSJGSFVSA-N 1 1 498.716 3.505 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(Cl)c(OC)c2)CC[N@H+]1CCOC ZINC001306391580 1068831928 /nfs/dbraw/zinc/83/19/28/1068831928.db2.gz XQWYCPMCXKZFTE-GOSISDBHSA-N 1 1 450.027 3.833 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(C)C)CC[N@H+]1CCOC ZINC001306395329 1068839227 /nfs/dbraw/zinc/83/92/27/1068839227.db2.gz ADNRRIGQQZFZBH-NRFANRHFSA-N 1 1 451.619 3.928 20 0 JHADMO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2=CCCOC2)CC[N@H+]1CCOC ZINC001306395807 1068842135 /nfs/dbraw/zinc/84/21/35/1068842135.db2.gz SODCWIVFINGYMK-UPVQGACJSA-N 1 1 483.657 3.929 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC2(C)C)CC[N@H+]1CCOC ZINC001306397094 1068846680 /nfs/dbraw/zinc/84/66/80/1068846680.db2.gz LNTIPPZYHWURLO-AEFFLSMTSA-N 1 1 479.467 3.639 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CCN1CCOC ZINC001306399999 1068856870 /nfs/dbraw/zinc/85/68/70/1068856870.db2.gz GYVOIECHBQECGY-QHCPKHFHSA-N 1 1 484.689 3.765 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001306399864 1068857131 /nfs/dbraw/zinc/85/71/31/1068857131.db2.gz VRHWXKKNNNSRCN-YZUZCNPQSA-N 1 1 465.708 3.771 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2C[C@@H]2C)CC[N@H+]1CCOC ZINC001306400825 1068859293 /nfs/dbraw/zinc/85/92/93/1068859293.db2.gz KIWLRGGIRHNIHK-OKZBNKHCSA-N 1 1 492.462 3.919 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCSCC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402399 1068863977 /nfs/dbraw/zinc/86/39/77/1068863977.db2.gz RIWULCBAEALVAR-REWPJTCUSA-N 1 1 473.687 3.890 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402945 1068866020 /nfs/dbraw/zinc/86/60/20/1068866020.db2.gz PFYGVADVMGBIQQ-NQIIRXRSSA-N 1 1 493.599 3.909 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC001306403479 1068867306 /nfs/dbraw/zinc/86/73/06/1068867306.db2.gz RMQZCGRZEKSOHZ-NHCUHLMSSA-N 1 1 487.645 3.851 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)COC)CC[N@H+]1CCOC ZINC001306403941 1068868488 /nfs/dbraw/zinc/86/84/88/1068868488.db2.gz HJVISAJCTGFYRF-FXAWDEMLSA-N 1 1 494.478 3.846 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2cc(F)cc(F)c2)CC[N@H+]1CCOC ZINC001306404390 1068869501 /nfs/dbraw/zinc/86/95/01/1068869501.db2.gz JSQCAARCWXHZNC-NRFANRHFSA-N 1 1 459.541 3.914 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)OC)CC[N@H+]1CCOC ZINC001306405510 1068873821 /nfs/dbraw/zinc/87/38/21/1068873821.db2.gz DORUVWPYGOFIRJ-UYAOXDASSA-N 1 1 461.676 3.857 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC001306407398 1068881622 /nfs/dbraw/zinc/88/16/22/1068881622.db2.gz BLFKKBIXFVKRPM-CEWLAPEOSA-N 1 1 492.064 3.848 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCOC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306407470 1068882751 /nfs/dbraw/zinc/88/27/51/1068882751.db2.gz ZOGKJORYEYRJMU-RXVVDRJESA-N 1 1 492.462 3.680 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306408895 1068887333 /nfs/dbraw/zinc/88/73/33/1068887333.db2.gz MJELIXYNDRYSKT-PZJWPPBQSA-N 1 1 477.053 3.603 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(Cl)cn2)CC[N@H+]1CCOC ZINC001306409088 1068887849 /nfs/dbraw/zinc/88/78/49/1068887849.db2.gz MHWBIJVXNVRESI-IBGZPJMESA-N 1 1 474.993 3.521 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CC(C)(C)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001306410950 1068893174 /nfs/dbraw/zinc/89/31/74/1068893174.db2.gz ASJKHXFTJBSRND-QFIPXVFZSA-N 1 1 468.621 3.948 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+](C)CCOC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306411503 1068895067 /nfs/dbraw/zinc/89/50/67/1068895067.db2.gz UKTFDKGWBWMTEJ-WOJBJXKFSA-N 1 1 490.649 3.554 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2nccc(C(F)F)n2)CC[N@H+]1CCOC ZINC001306412702 1068898256 /nfs/dbraw/zinc/89/82/56/1068898256.db2.gz KOKOPJCJJGYRTB-GOSISDBHSA-N 1 1 471.556 3.576 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001306413114 1068899866 /nfs/dbraw/zinc/89/98/66/1068899866.db2.gz YOKHETHZWPVJFK-WBVHZDCISA-N 1 1 498.466 3.899 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001306413114 1068899875 /nfs/dbraw/zinc/89/98/75/1068899875.db2.gz YOKHETHZWPVJFK-WBVHZDCISA-N 1 1 498.466 3.899 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cc2)CC[N@H+]1CCOC ZINC001306414760 1068902654 /nfs/dbraw/zinc/90/26/54/1068902654.db2.gz MXWSMAYSLFGUEK-HXUWFJFHSA-N 1 1 473.021 3.563 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001306415798 1068904052 /nfs/dbraw/zinc/90/40/52/1068904052.db2.gz VVMKZRDSYLFDTC-IBGZPJMESA-N 1 1 471.005 3.597 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001306416828 1068906587 /nfs/dbraw/zinc/90/65/87/1068906587.db2.gz SXRHOJQKILNOHY-XLIONFOSSA-N 1 1 497.562 3.852 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(CSC)c2)CC[N@H+]1CCOC ZINC001306417658 1068908493 /nfs/dbraw/zinc/90/84/93/1068908493.db2.gz ATHBSLSHGKVOGR-QFIPXVFZSA-N 1 1 466.655 3.798 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001306423861 1068917262 /nfs/dbraw/zinc/91/72/62/1068917262.db2.gz NKCOQPGDULOLGV-PKOBYXMFSA-N 1 1 466.552 3.784 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCO[C@H]2C(C)C)CC[N@H+]1CCOC ZINC001306424758 1068918630 /nfs/dbraw/zinc/91/86/30/1068918630.db2.gz QOUUBWUTNHYIGK-AKFKNWHVSA-N 1 1 470.662 3.647 20 0 JHADMO 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 ZINC001306426053 1068920988 /nfs/dbraw/zinc/92/09/88/1068920988.db2.gz BDLPYNDXJLSRQX-NXLVEIQXSA-N 1 1 490.693 3.784 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)ccc2OC(F)F)CC[N@H+]1CCOC ZINC001306428925 1068926234 /nfs/dbraw/zinc/92/62/34/1068926234.db2.gz MTFXELFHMIABHC-TZIWHRDSSA-N 1 1 493.599 3.677 20 0 JHADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(SC)cc2)CC[N@H+]1CCOC ZINC001306430121 1068928553 /nfs/dbraw/zinc/92/85/53/1068928553.db2.gz BCYMMHMGCUPNLS-YADHBBJMSA-N 1 1 473.687 3.684 20 0 JHADMO CC[C@H]1CN(c2nnc(C3CCC3)n2Cc2ccsc2Br)CC[N@H+]1CCOC ZINC001306430882 1068930161 /nfs/dbraw/zinc/93/01/61/1068930161.db2.gz XWVVIJDLWNHXLB-KRWDZBQOSA-N 1 1 468.465 3.965 20 0 JHADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCSc2ccccc2)CC[N@H+]1CCOC ZINC001306434151 1068937123 /nfs/dbraw/zinc/93/71/23/1068937123.db2.gz UPEXBTILFVIUKT-SFTDATJTSA-N 1 1 459.660 3.511 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCCCCC2)CC[N@H+]1CCOC ZINC001306436687 1068940324 /nfs/dbraw/zinc/94/03/24/1068940324.db2.gz FQIXAQWIMYRPNE-RUZDIDTESA-N 1 1 496.700 3.517 20 0 JHADMO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001306437276 1068941377 /nfs/dbraw/zinc/94/13/77/1068941377.db2.gz GUOMIVZKQMCXRD-NVQXNPDNSA-N 1 1 483.682 3.694 20 0 JHADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c(C)noc2C)CC[N@H+]1CCOC ZINC001306438212 1068943474 /nfs/dbraw/zinc/94/34/74/1068943474.db2.gz KWOXRPBLYMLUKV-NRFANRHFSA-N 1 1 473.021 3.722 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(C)coc2C)CC[N@H+]1CCOC 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C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4[nH]cnc43)CC2)c2ccccc21 ZINC001164680517 719666955 /nfs/dbraw/zinc/66/69/55/719666955.db2.gz GWVAEGFEFGNEAK-KRWDZBQOSA-N 1 1 467.017 3.705 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)CC2 ZINC001164689892 719740216 /nfs/dbraw/zinc/74/02/16/719740216.db2.gz NVEPZQWSCUSFFG-UHFFFAOYSA-N 1 1 451.596 3.548 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692822 719812774 /nfs/dbraw/zinc/81/27/74/719812774.db2.gz SFIVTFBTMRLUNB-UHFFFAOYSA-N 1 1 460.991 3.798 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1 ZINC001164699232 719820105 /nfs/dbraw/zinc/82/01/05/719820105.db2.gz GZPCCSICBWIUQE-ATPOPXNDSA-N 1 1 477.653 3.756 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3cccs3)c21 ZINC001164698603 719847253 /nfs/dbraw/zinc/84/72/53/719847253.db2.gz GFSPKSKCQCHLFK-IVZQSRNASA-N 1 1 458.609 3.653 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC001164705718 719866866 /nfs/dbraw/zinc/86/68/66/719866866.db2.gz OBKQEQZJJIDFIH-KOSHJBKYSA-N 1 1 470.570 3.730 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)nc2cc(F)cc(F)c21 ZINC001164707857 719877845 /nfs/dbraw/zinc/87/78/45/719877845.db2.gz WGJVBWCVZKDYFM-OYHNWAKOSA-N 1 1 453.917 3.708 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)no1 ZINC001164696225 719897760 /nfs/dbraw/zinc/89/77/60/719897760.db2.gz CNRLXNLWBILIFW-UHFFFAOYSA-N 1 1 453.568 3.563 20 0 JHADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CC[C@H](C)C5)C3)n1 ZINC001164806455 720060350 /nfs/dbraw/zinc/06/03/50/720060350.db2.gz RWKNZWGHEOYQQO-KBUMFOBPSA-N 1 1 480.638 3.508 20 0 JHADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CC[C@H](C)C5)C3)n1 ZINC001164806456 720060587 /nfs/dbraw/zinc/06/05/87/720060587.db2.gz RWKNZWGHEOYQQO-LMZHUWQESA-N 1 1 480.638 3.508 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@@H]3CC(=O)N5c3cnn(C)c3)n2)CCC4)CC1 ZINC001164713310 720074769 /nfs/dbraw/zinc/07/47/69/720074769.db2.gz SJRKLQYPUQJMGK-UXHICEINSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164717489 720118083 /nfs/dbraw/zinc/11/80/83/720118083.db2.gz PMUQULOCSVDLPH-QFIPXVFZSA-N 1 1 452.599 3.939 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164710776 720129811 /nfs/dbraw/zinc/12/98/11/720129811.db2.gz CGGSFSAMPYMJEB-JOCHJYFZSA-N 1 1 451.615 3.512 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CCC2 ZINC001164814563 720233452 /nfs/dbraw/zinc/23/34/52/720233452.db2.gz YXCWGZYEDZMCOG-UHFFFAOYSA-N 1 1 450.921 3.568 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2C)cc1 ZINC001164813240 720234033 /nfs/dbraw/zinc/23/40/33/720234033.db2.gz LQVXCFYSTSFGFD-UHFFFAOYSA-N 1 1 475.593 3.651 20 0 JHADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813290 720235769 /nfs/dbraw/zinc/23/57/69/720235769.db2.gz MNBAVHSBGWVMSN-UHFFFAOYSA-N 1 1 497.713 3.957 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc(Cl)c2c1 ZINC001164813429 720238325 /nfs/dbraw/zinc/23/83/25/720238325.db2.gz OCGFCPYPKGPACM-UHFFFAOYSA-N 1 1 492.958 3.644 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1OCc1ccc(F)cc1)CCC2 ZINC001164813450 720239996 /nfs/dbraw/zinc/23/99/96/720239996.db2.gz OHSHPUQTQYWAHZ-UHFFFAOYSA-N 1 1 451.546 3.607 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CCC2 ZINC001164813344 720240594 /nfs/dbraw/zinc/24/05/94/720240594.db2.gz NDXKHILOIAANLB-UHFFFAOYSA-N 1 1 456.953 3.743 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826728 720389164 /nfs/dbraw/zinc/38/91/64/720389164.db2.gz XMBIEJWGVHVSAV-UBFVSLLYSA-N 1 1 477.634 3.753 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826728 720389172 /nfs/dbraw/zinc/38/91/72/720389172.db2.gz XMBIEJWGVHVSAV-UBFVSLLYSA-N 1 1 477.634 3.753 20 0 JHADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721810 720407077 /nfs/dbraw/zinc/40/70/77/720407077.db2.gz BGVYIZAXSIVAOH-GOTSBHOMSA-N 1 1 463.607 3.586 20 0 JHADMO O=S(=O)(c1ccccc1)n1c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734721 720424885 /nfs/dbraw/zinc/42/48/85/720424885.db2.gz TUWPSGUYPAOKCR-NHCUHLMSSA-N 1 1 495.008 3.570 20 0 JHADMO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164728306 720499988 /nfs/dbraw/zinc/49/99/88/720499988.db2.gz PAJRPLMBGFSVOE-LEAFIULHSA-N 1 1 469.589 3.659 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164836515 720516670 /nfs/dbraw/zinc/51/66/70/720516670.db2.gz MVVWJPFXICGHTI-DPZBCOQUSA-N 1 1 471.653 3.609 20 0 JHADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1OC ZINC001164840813 720550150 /nfs/dbraw/zinc/55/01/50/720550150.db2.gz UCHUYNBGBLUNCI-FUHIMQAGSA-N 1 1 471.005 3.875 20 0 JHADMO 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 720557030 /nfs/dbraw/zinc/55/70/30/720557030.db2.gz XNAQEYDIBOJCBA-BJLQDIEVSA-N 1 1 459.038 3.838 20 0 JHADMO 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 720557467 /nfs/dbraw/zinc/55/74/67/720557467.db2.gz WYELLTARYLTVIZ-AABGKKOBSA-N 1 1 459.038 3.838 20 0 JHADMO 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 720560954 /nfs/dbraw/zinc/56/09/54/720560954.db2.gz VWBUEVPIUPEKKU-TXTKFYIRSA-N 1 1 464.614 3.931 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC[C@@H]21 ZINC001164843510 720620833 /nfs/dbraw/zinc/62/08/33/720620833.db2.gz XNPWUAYRJRVEKF-GPXNEJASSA-N 1 1 474.609 3.879 20 0 JHADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164739326 720663873 /nfs/dbraw/zinc/66/38/73/720663873.db2.gz NALKTVPANNKYPO-VXGBXAGGSA-N 1 1 451.745 3.722 20 0 JHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc-2n1 ZINC001164844831 720689038 /nfs/dbraw/zinc/68/90/38/720689038.db2.gz VHOADBORQZGANC-IBGZPJMESA-N 1 1 464.566 3.618 20 0 JHADMO c1ccc(-c2ncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738938 720690233 /nfs/dbraw/zinc/69/02/33/720690233.db2.gz LPIRHZYDCUXANZ-XZOQPEGZSA-N 1 1 450.546 3.943 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841087 720699103 /nfs/dbraw/zinc/69/91/03/720699103.db2.gz HPHSCSZKLZNRCL-QGZVFWFLSA-N 1 1 469.973 3.658 20 0 JHADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737910 720710400 /nfs/dbraw/zinc/71/04/00/720710400.db2.gz HRQGASXEYMPTQT-OLZOCXBDSA-N 1 1 467.307 3.613 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840889 720715302 /nfs/dbraw/zinc/71/53/02/720715302.db2.gz RSIUBIXSAWHVCF-QFIPXVFZSA-N 1 1 486.682 3.808 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)C2)cc1 ZINC001164847173 720773934 /nfs/dbraw/zinc/77/39/34/720773934.db2.gz LKHITWTXWRHDJR-YGPDHOBYSA-N 1 1 471.605 3.773 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)C2)cc1 ZINC001164847173 720773947 /nfs/dbraw/zinc/77/39/47/720773947.db2.gz LKHITWTXWRHDJR-YGPDHOBYSA-N 1 1 471.605 3.773 20 0 JHADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164742170 720787342 /nfs/dbraw/zinc/78/73/42/720787342.db2.gz CKHGQUADRFPAAI-PMACEKPBSA-N 1 1 462.985 3.808 20 0 JHADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743525 720790924 /nfs/dbraw/zinc/79/09/24/720790924.db2.gz GMRULSXZENHWRJ-WOJBJXKFSA-N 1 1 487.633 3.552 20 0 JHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164749964 720800096 /nfs/dbraw/zinc/80/00/96/720800096.db2.gz UYELXLCFMUHLNU-CABCVRRESA-N 1 1 461.328 3.721 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740736 720800386 /nfs/dbraw/zinc/80/03/86/720800386.db2.gz AHVJXEPGLYBQGR-SJORKVTESA-N 1 1 473.911 3.959 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740736 720800389 /nfs/dbraw/zinc/80/03/89/720800389.db2.gz AHVJXEPGLYBQGR-SJORKVTESA-N 1 1 473.911 3.959 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](NC(=O)C5CCC5)[C@H]5COC[C@@H]53)n2)CCC4)CC1 ZINC001164850706 720803404 /nfs/dbraw/zinc/80/34/04/720803404.db2.gz VYWXUANSRKYCAR-HKBOAZHASA-N 1 1 495.693 3.532 20 0 JHADMO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738099 720822545 /nfs/dbraw/zinc/82/25/45/720822545.db2.gz DQESYYQWCREFSS-RIFZZMRRSA-N 1 1 458.397 3.908 20 0 JHADMO 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C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5nc(Cl)cnc5cc4Cl)C3)O2)CC1 ZINC001164885097 721404635 /nfs/dbraw/zinc/40/46/35/721404635.db2.gz FMAIUIQIEYIQJC-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@]5(C4)CCC[C@@H](CN4CC[NH+](C)CC4)O5)c32)C1 ZINC001164886138 721409302 /nfs/dbraw/zinc/40/93/02/721409302.db2.gz HVHQOUIBLKBXDM-HHJKRLRDSA-N 1 1 455.672 3.582 20 0 JHADMO Cc1cccc(Sc2cncc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164895804 721427646 /nfs/dbraw/zinc/42/76/46/721427646.db2.gz PSWAJCMHWPJPFH-BWKNWUBXSA-N 1 1 453.656 3.702 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894240 721429757 /nfs/dbraw/zinc/42/97/57/721429757.db2.gz KZZSBXARPLUCPB-UZLBHIALSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164897206 721434234 /nfs/dbraw/zinc/43/42/34/721434234.db2.gz SSJGCEKMGWWKEH-CYFREDJKSA-N 1 1 475.996 3.827 20 0 JHADMO 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c1ccc(C[N@H+]2CCc3nc(N4CCCn5nnc(CNc6cccnc6)c5C4)ccc3C2)cc1 ZINC001164787949 721474446 /nfs/dbraw/zinc/47/44/46/721474446.db2.gz GIRZRMPOCMOKGI-UHFFFAOYSA-N 1 1 466.593 3.649 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164898637 721483490 /nfs/dbraw/zinc/48/34/90/721483490.db2.gz WOTPUWNKCGKPHQ-FQRUVTKNSA-N 1 1 483.682 3.663 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164892723 721483945 /nfs/dbraw/zinc/48/39/45/721483945.db2.gz BNYCGKVKXPGYGW-DCFHFQCYSA-N 1 1 491.661 3.789 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@H+]3C2)c1 ZINC001164896945 721517867 /nfs/dbraw/zinc/51/78/67/721517867.db2.gz CSKSYQBPKKCFRN-VWNXMTODSA-N 1 1 459.569 3.516 20 0 JHADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899756 721520826 /nfs/dbraw/zinc/52/08/26/721520826.db2.gz MINUQRPLKPBPRO-FPOVZHCZSA-N 1 1 458.965 3.842 20 0 JHADMO 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COc1ccc(OC)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c1 ZINC001164909281 721559096 /nfs/dbraw/zinc/55/90/96/721559096.db2.gz UDLZNICQSVRDSB-GHTZIAJQSA-N 1 1 450.514 3.642 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799572 721564638 /nfs/dbraw/zinc/56/46/38/721564638.db2.gz CPOSEOVEONGQMI-AQNXPRMDSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799572 721564640 /nfs/dbraw/zinc/56/46/40/721564640.db2.gz CPOSEOVEONGQMI-AQNXPRMDSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806836 721583668 /nfs/dbraw/zinc/58/36/68/721583668.db2.gz NCNAXXYWTBIRRG-NOTUOJBMSA-N 1 1 473.577 3.568 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806836 721583672 /nfs/dbraw/zinc/58/36/72/721583672.db2.gz NCNAXXYWTBIRRG-NOTUOJBMSA-N 1 1 473.577 3.568 20 0 JHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907033 721586729 /nfs/dbraw/zinc/58/67/29/721586729.db2.gz QKOUHQILQJRCRK-HSZRJFAPSA-N 1 1 453.493 3.549 20 0 JHADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801109 721587815 /nfs/dbraw/zinc/58/78/15/721587815.db2.gz DRTUGKLXLXPDLX-SXWKCWPCSA-N 1 1 450.974 3.764 20 0 JHADMO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@@H]3C2=O)n1 ZINC001164798767 721602441 /nfs/dbraw/zinc/60/24/41/721602441.db2.gz IEWLUPPXQPUNJA-XTEPFMGCSA-N 1 1 497.643 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164804364 721603242 /nfs/dbraw/zinc/60/32/42/721603242.db2.gz YCIDKOLAOVFGPE-UBFVSLLYSA-N 1 1 463.626 3.586 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164911813 721762225 /nfs/dbraw/zinc/76/22/25/721762225.db2.gz SBMLJNSCOPPGIH-UHFFFAOYSA-N 1 1 483.638 3.589 20 0 JHADMO 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CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)n1 ZINC001164961560 722058585 /nfs/dbraw/zinc/05/85/85/722058585.db2.gz LYXCESKQLPUCIM-UHFFFAOYSA-N 1 1 462.598 3.943 20 0 JHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164965951 722062710 /nfs/dbraw/zinc/06/27/10/722062710.db2.gz MPNCUUICVANTLP-UHFFFAOYSA-N 1 1 494.999 3.885 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980426 722108445 /nfs/dbraw/zinc/10/84/45/722108445.db2.gz RDWBQRFVTGJEOT-VXKWHMMOSA-N 1 1 490.011 3.650 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975687 722111356 /nfs/dbraw/zinc/11/13/56/722111356.db2.gz KJMSKGGSXSLBIE-CTNGQTDRSA-N 1 1 479.606 3.504 20 0 JHADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974030 722123994 /nfs/dbraw/zinc/12/39/94/722123994.db2.gz IHJCXFISMAPKKL-UKILVPOCSA-N 1 1 454.578 3.602 20 0 JHADMO 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C[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007902 722273927 /nfs/dbraw/zinc/27/39/27/722273927.db2.gz GQOARUIFNBFDRO-KFACBJOOSA-N 1 1 498.631 3.833 20 0 JHADMO C[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007902 722273929 /nfs/dbraw/zinc/27/39/29/722273929.db2.gz GQOARUIFNBFDRO-KFACBJOOSA-N 1 1 498.631 3.833 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@H+]1CCOC ZINC001306624893 1069318649 /nfs/dbraw/zinc/31/86/49/1069318649.db2.gz MVXVSCWNZLCASL-YADHBBJMSA-N 1 1 490.693 3.740 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1CCOC ZINC001306624695 1069318829 /nfs/dbraw/zinc/31/88/29/1069318829.db2.gz LRYHSQQWHRCYGZ-DNQXCXABSA-N 1 1 485.673 3.733 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CC[N@H+]1CCOC ZINC001306624780 1069318978 /nfs/dbraw/zinc/31/89/78/1069318978.db2.gz RAXREPHETZNUHH-JOCHJYFZSA-N 1 1 470.662 3.671 20 0 JHADMO 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CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001306635845 1069343868 /nfs/dbraw/zinc/34/38/68/1069343868.db2.gz JPBNNGCUUZDKLC-NRFANRHFSA-N 1 1 467.662 3.798 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306636286 1069344624 /nfs/dbraw/zinc/34/46/24/1069344624.db2.gz QGXOMEGJEIUVBY-VXKWHMMOSA-N 1 1 488.721 3.958 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306636285 1069344905 /nfs/dbraw/zinc/34/49/05/1069344905.db2.gz QGXOMEGJEIUVBY-FGZHOGPDSA-N 1 1 488.721 3.958 20 0 JHADMO CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306636841 1069345856 /nfs/dbraw/zinc/34/58/56/1069345856.db2.gz BXKYMYAZOOCLLO-GGAORHGYSA-N 1 1 496.704 3.768 20 0 JHADMO CCN(C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001311382628 1069355213 /nfs/dbraw/zinc/35/52/13/1069355213.db2.gz ZYWRIEIVJGFWJD-LJQANCHMSA-N 1 1 452.599 3.665 20 0 JHADMO 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CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2F)CC1 ZINC001306679887 1069405770 /nfs/dbraw/zinc/40/57/70/1069405770.db2.gz LTHURSPBRDRFGT-UHFFFAOYSA-N 1 1 474.600 3.675 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001306679695 1069405887 /nfs/dbraw/zinc/40/58/87/1069405887.db2.gz SEIWKLWHEMVASR-UHFFFAOYSA-N 1 1 485.677 3.710 20 0 JHADMO C[C@H](NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496278 1069406405 /nfs/dbraw/zinc/40/64/05/1069406405.db2.gz LYFOMTIHUBDGMQ-BXKMTCNYSA-N 1 1 457.525 3.771 20 0 JHADMO Cc1cc([C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCN(C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496678 1069406422 /nfs/dbraw/zinc/40/64/22/1069406422.db2.gz OMXCHYVYISIYCW-NRFANRHFSA-N 1 1 457.018 3.801 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001306680793 1069408287 /nfs/dbraw/zinc/40/82/87/1069408287.db2.gz FXQQGFHLQYIZRW-OAHLLOKOSA-N 1 1 461.035 3.857 20 0 JHADMO 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 1069407812 /nfs/dbraw/zinc/40/78/12/1069407812.db2.gz WONDKCMWKXQKAL-FIBVWIARSA-N 1 1 457.537 3.579 20 0 JHADMO 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 1069407841 /nfs/dbraw/zinc/40/78/41/1069407841.db2.gz WVJNLSYQSGGRPN-HYFFOGBASA-N 1 1 457.537 3.531 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001306681398 1069410319 /nfs/dbraw/zinc/41/03/19/1069410319.db2.gz LNVYYTBXMLAIBR-QGZVFWFLSA-N 1 1 489.466 3.570 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001306680890 1069409056 /nfs/dbraw/zinc/40/90/56/1069409056.db2.gz VNEFMOJHDINABB-UHFFFAOYSA-N 1 1 497.688 3.691 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001306681385 1069409919 /nfs/dbraw/zinc/40/99/19/1069409919.db2.gz LJSVKPAKXZAQHN-CTNGQTDRSA-N 1 1 459.038 3.972 20 0 JHADMO CCCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311511785 1069417160 /nfs/dbraw/zinc/41/71/60/1069417160.db2.gz TVMXTJOVXSTNIG-OALUTQOASA-N 1 1 454.656 3.695 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306682963 1069415244 /nfs/dbraw/zinc/41/52/44/1069415244.db2.gz RREBRYPOXNNTFD-UHFFFAOYSA-N 1 1 451.619 3.803 20 0 JHADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H](C)O1 ZINC001311510116 1069415812 /nfs/dbraw/zinc/41/58/12/1069415812.db2.gz CQSGXOGCGARULU-PMACEKPBSA-N 1 1 453.583 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001306684829 1069419988 /nfs/dbraw/zinc/41/99/88/1069419988.db2.gz URHVBSXNMGPYQR-OAQYLSRUSA-N 1 1 455.994 3.698 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC ZINC001306685578 1069421345 /nfs/dbraw/zinc/42/13/45/1069421345.db2.gz GYSHOOFJAGCCJU-PMACEKPBSA-N 1 1 464.655 3.697 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001306686168 1069422092 /nfs/dbraw/zinc/42/20/92/1069422092.db2.gz BAXNLUDKFJUYBP-INIZCTEOSA-N 1 1 472.581 3.780 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001306687403 1069424029 /nfs/dbraw/zinc/42/40/29/1069424029.db2.gz GVDYKBXQQNVHTN-BILGYAHESA-N 1 1 477.694 3.703 20 0 JHADMO CN(C(=O)N[C@@H](COc1ccccc1F)c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001311526634 1069424154 /nfs/dbraw/zinc/42/41/54/1069424154.db2.gz XUXBZIBACKCSLU-VWNXMTODSA-N 1 1 454.590 3.756 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001306688375 1069425291 /nfs/dbraw/zinc/42/52/91/1069425291.db2.gz RPZSDLMTSORQTO-JOCHJYFZSA-N 1 1 489.064 3.867 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306689710 1069427277 /nfs/dbraw/zinc/42/72/77/1069427277.db2.gz YSMDNDSWPCGXBW-HXUWFJFHSA-N 1 1 491.706 3.811 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)N1CC(Cc2ccc(Br)cc2)C1)[NH+]1CCOCC1 ZINC001311536056 1069428274 /nfs/dbraw/zinc/42/82/74/1069428274.db2.gz VCRMQNMAYGZRCB-OAQYLSRUSA-N 1 1 452.437 3.770 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)N1CCOCC1 ZINC001311536533 1069429085 /nfs/dbraw/zinc/42/90/85/1069429085.db2.gz WWLCEBCNGYCVLT-YADHBBJMSA-N 1 1 450.693 3.957 20 0 JHADMO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306694602 1069431310 /nfs/dbraw/zinc/43/13/10/1069431310.db2.gz JMDCHQNTFNOFDQ-HSALFYBXSA-N 1 1 453.697 3.563 20 0 JHADMO CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001306701569 1069436773 /nfs/dbraw/zinc/43/67/73/1069436773.db2.gz SIVQEBMUJUTLIG-RXVVDRJESA-N 1 1 475.037 3.614 20 0 JHADMO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311578734 1069447612 /nfs/dbraw/zinc/44/76/12/1069447612.db2.gz SZACYRNSZNZAOJ-FQEVSTJZSA-N 1 1 454.372 3.709 20 0 JHADMO COc1cc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(Br)cc1O ZINC001311581982 1069449607 /nfs/dbraw/zinc/44/96/07/1069449607.db2.gz KONKCRQTGFRJTN-INIZCTEOSA-N 1 1 456.768 3.919 20 0 JHADMO Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001311595946 1069457478 /nfs/dbraw/zinc/45/74/78/1069457478.db2.gz YWVHZMOGQJUMDU-OZXSUGGESA-N 1 1 450.627 3.674 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001306721601 1069458483 /nfs/dbraw/zinc/45/84/83/1069458483.db2.gz CKDDNDMIPAWALY-KRWDZBQOSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722254 1069459601 /nfs/dbraw/zinc/45/96/01/1069459601.db2.gz JKSJIYVBKBRICX-TZIWHRDSSA-N 1 1 477.650 3.781 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 ZINC001306721296 1069457430 /nfs/dbraw/zinc/45/74/30/1069457430.db2.gz WHSAGMFXAHYMDN-NRFANRHFSA-N 1 1 485.652 3.537 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001306723245 1069462830 /nfs/dbraw/zinc/46/28/30/1069462830.db2.gz PPURKDMMILTIDG-RTWAWAEBSA-N 1 1 455.651 3.669 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001306723551 1069463479 /nfs/dbraw/zinc/46/34/79/1069463479.db2.gz UDVZZJWSSBNCKG-CEXWTWQISA-N 1 1 454.610 3.798 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001306723563 1069464121 /nfs/dbraw/zinc/46/41/21/1069464121.db2.gz UHOVQETYYDNKDW-KBMIEXCESA-N 1 1 489.064 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001306725030 1069466385 /nfs/dbraw/zinc/46/63/85/1069466385.db2.gz BFFPVIXTHRPCAL-PCCBWWKXSA-N 1 1 465.708 3.707 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001306724486 1069465297 /nfs/dbraw/zinc/46/52/97/1069465297.db2.gz YCECQSBTGSLALZ-UTAZYMRLSA-N 1 1 486.636 3.914 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724578 1069465939 /nfs/dbraw/zinc/46/59/39/1069465939.db2.gz ZRNUZJSNQUUNJQ-WOJBJXKFSA-N 1 1 460.026 3.569 20 0 JHADMO CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001311614682 1069466759 /nfs/dbraw/zinc/46/67/59/1069466759.db2.gz LRTHABJINSIVDK-GGAORHGYSA-N 1 1 456.631 3.705 20 0 JHADMO C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001311615602 1069467832 /nfs/dbraw/zinc/46/78/32/1069467832.db2.gz CGXMXSFCEOMIMZ-INIZCTEOSA-N 1 1 452.546 3.580 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC001311617518 1069469484 /nfs/dbraw/zinc/46/94/84/1069469484.db2.gz OYRRKLGONQJZNA-SFHVURJKSA-N 1 1 452.546 3.628 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCC1(c2ccc(Br)cc2)CC1 ZINC001311623777 1069473742 /nfs/dbraw/zinc/47/37/42/1069473742.db2.gz DNGZAFJTSRIJIY-UHFFFAOYSA-N 1 1 458.400 3.812 20 0 JHADMO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC001311626127 1069475456 /nfs/dbraw/zinc/47/54/56/1069475456.db2.gz MUHRSUBXORFFJR-YMVVMYQSSA-N 1 1 453.627 3.977 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001306729911 1069480116 /nfs/dbraw/zinc/48/01/16/1069480116.db2.gz ZKTHFNQTVHKDKY-HSZRJFAPSA-N 1 1 482.673 3.799 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001306730644 1069482490 /nfs/dbraw/zinc/48/24/90/1069482490.db2.gz OJAVAUWRAPWYFL-QHCPKHFHSA-N 1 1 482.673 3.783 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001306730885 1069483530 /nfs/dbraw/zinc/48/35/30/1069483530.db2.gz ICPLRESPFYNLQW-RTWAWAEBSA-N 1 1 482.677 3.521 20 0 JHADMO 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 1069486351 /nfs/dbraw/zinc/48/63/51/1069486351.db2.gz QRYFUFRDHDAMKI-CIAFKFPVSA-N 1 1 476.710 3.670 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306732144 1069488108 /nfs/dbraw/zinc/48/81/08/1069488108.db2.gz VENXWIFRNPVOGP-IMSXRSKXSA-N 1 1 465.708 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001306732109 1069488137 /nfs/dbraw/zinc/48/81/37/1069488137.db2.gz UZPGIAKBSADNLT-ZLNRFVROSA-N 1 1 457.667 3.798 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001306733682 1069493843 /nfs/dbraw/zinc/49/38/43/1069493843.db2.gz RLUYCTYKXGTYNG-OTNCWRBYSA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001306733682 1069493845 /nfs/dbraw/zinc/49/38/45/1069493845.db2.gz RLUYCTYKXGTYNG-OTNCWRBYSA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001306733686 1069494478 /nfs/dbraw/zinc/49/44/78/1069494478.db2.gz RLUYCTYKXGTYNG-WRALFONMSA-N 1 1 496.700 3.631 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001306733686 1069494481 /nfs/dbraw/zinc/49/44/81/1069494481.db2.gz RLUYCTYKXGTYNG-WRALFONMSA-N 1 1 496.700 3.631 20 0 JHADMO 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 1069497912 /nfs/dbraw/zinc/49/79/12/1069497912.db2.gz DQXNDVWWMQHHRH-IXDOHACOSA-N 1 1 455.430 3.827 20 0 JHADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694576 1069507386 /nfs/dbraw/zinc/50/73/86/1069507386.db2.gz NIAHVRHQSDJHFV-HYBUGGRVSA-N 1 1 457.640 3.773 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306741080 1069516041 /nfs/dbraw/zinc/51/60/41/1069516041.db2.gz ZAVQDTIZGHSMBA-WOJBJXKFSA-N 1 1 456.610 3.701 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306741416 1069517593 /nfs/dbraw/zinc/51/75/93/1069517593.db2.gz BHGFOBSYTQJTOR-PKTZIBPZSA-N 1 1 481.689 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C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001307632227 1070091120 /nfs/dbraw/zinc/09/11/20/1070091120.db2.gz VQNNDYSDVDNJIR-MCFFVMPBSA-N 1 1 459.516 3.812 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1ccc(NC(=O)c3ccncc3)cc1)[nH]c2=O ZINC001307634673 1070093168 /nfs/dbraw/zinc/09/31/68/1070093168.db2.gz JHNBZCARZVAUOD-OAHLLOKOSA-N 1 1 457.490 3.620 20 0 JHADMO CC1(C)C[C@@H]([N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)C(C)(C)O1 ZINC001307638268 1070094782 /nfs/dbraw/zinc/09/47/82/1070094782.db2.gz YHTCQVWAXKJQTJ-OAQYLSRUSA-N 1 1 459.537 3.868 20 0 JHADMO CC1(C)C[C@@H]([N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)C(C)(C)O1 ZINC001307638268 1070094799 /nfs/dbraw/zinc/09/47/99/1070094799.db2.gz YHTCQVWAXKJQTJ-OAQYLSRUSA-N 1 1 459.537 3.868 20 0 JHADMO CCOCc1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314310173 1070098036 /nfs/dbraw/zinc/09/80/36/1070098036.db2.gz XPOKVEQZEJQNKO-HXUWFJFHSA-N 1 1 466.026 3.606 20 0 JHADMO COCCO[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653199 1070103398 /nfs/dbraw/zinc/10/33/98/1070103398.db2.gz BTLPELPYCQMVRG-GBXCKJPGSA-N 1 1 453.583 3.586 20 0 JHADMO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312753678 1070104253 /nfs/dbraw/zinc/10/42/53/1070104253.db2.gz AMDAJTKUTZASPU-QSULTMIOSA-N 1 1 458.400 3.645 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755885 1070106058 /nfs/dbraw/zinc/10/60/58/1070106058.db2.gz COPNDFPQBDQXMN-FOVJLYNBSA-N 1 1 452.574 3.794 20 0 JHADMO CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307656715 1070106503 /nfs/dbraw/zinc/10/65/03/1070106503.db2.gz FTZVAWZIEPEJBP-RPWUZVMVSA-N 1 1 451.611 3.964 20 0 JHADMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cccn2)c(F)c1 ZINC001312759286 1070108297 /nfs/dbraw/zinc/10/82/97/1070108297.db2.gz KWQVDHWKGHCMOW-PGRDOPGGSA-N 1 1 451.546 3.529 20 0 JHADMO 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C[N@@H+](CCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001314849534 1071212650 /nfs/dbraw/zinc/21/26/50/1071212650.db2.gz VELUPHOZFSDKTN-HSZRJFAPSA-N 1 1 489.668 3.993 20 0 JHADMO CN(CCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314849885 1071214052 /nfs/dbraw/zinc/21/40/52/1071214052.db2.gz DXNIZKKSSAXLHL-YADHBBJMSA-N 1 1 494.606 3.767 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC001313804323 1071214477 /nfs/dbraw/zinc/21/44/77/1071214477.db2.gz GARPYMOKDSKNQL-LJQANCHMSA-N 1 1 479.467 3.782 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)C1CC1 ZINC001313805100 1071217963 /nfs/dbraw/zinc/21/79/63/1071217963.db2.gz NGCUHNRKCKKVNX-LRDDRELGSA-N 1 1 491.356 3.676 20 0 JHADMO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)C1CC1 ZINC001313805158 1071218939 /nfs/dbraw/zinc/21/89/39/1071218939.db2.gz KFYUJHXDZJRPMU-UHFFFAOYSA-N 1 1 470.637 3.866 20 0 JHADMO CN(CCCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001314851451 1071221927 /nfs/dbraw/zinc/22/19/27/1071221927.db2.gz UBXKQRRHNLBMES-VXKWHMMOSA-N 1 1 494.606 3.767 20 0 JHADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)C(C)C ZINC001313806170 1071222276 /nfs/dbraw/zinc/22/22/76/1071222276.db2.gz VHXBTGRBMVYABJ-PNLZDCPESA-N 1 1 495.466 3.539 20 0 JHADMO C[N@@H+](CCCn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)C1CCCCC1 ZINC001314852228 1071226051 /nfs/dbraw/zinc/22/60/51/1071226051.db2.gz RVRGDTYTLOAXMW-UHFFFAOYSA-N 1 1 474.694 3.839 20 0 JHADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)ccc(F)c2C1)CCC(F)(F)F ZINC001313806913 1071226561 /nfs/dbraw/zinc/22/65/61/1071226561.db2.gz WCKPRNUAMZIVHS-UHFFFAOYSA-N 1 1 488.505 3.532 20 0 JHADMO C[N@@H+](CCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001314852424 1071226725 /nfs/dbraw/zinc/22/67/25/1071226725.db2.gz ZSKUJVPWKKGLJF-LJQANCHMSA-N 1 1 458.676 3.677 20 0 JHADMO CN(CCCn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001314852359 1071226749 /nfs/dbraw/zinc/22/67/49/1071226749.db2.gz XNCGCEMAFOHCJN-UHFFFAOYSA-N 1 1 464.580 3.827 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnccn2)CC1)C(C)C ZINC001313808113 1071231963 /nfs/dbraw/zinc/23/19/63/1071231963.db2.gz ABDGFBYXHAXRDY-UHFFFAOYSA-N 1 1 473.000 3.585 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001313808332 1071232817 /nfs/dbraw/zinc/23/28/17/1071232817.db2.gz FJUOOFZCEFRSDN-IBGZPJMESA-N 1 1 460.623 3.928 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1)C(C)C ZINC001313808881 1071234405 /nfs/dbraw/zinc/23/44/05/1071234405.db2.gz SCFWZEMBROHABQ-UHFFFAOYSA-N 1 1 468.646 3.665 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001313809970 1071239513 /nfs/dbraw/zinc/23/95/13/1071239513.db2.gz GBTNOODYGAMBSB-UHFFFAOYSA-N 1 1 459.639 3.839 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H]2OCCC[C@H]2C1)CCC(F)(F)F ZINC001313810790 1071240254 /nfs/dbraw/zinc/24/02/54/1071240254.db2.gz NMTPUGIYKYFHNM-PKOBYXMFSA-N 1 1 454.541 3.563 20 0 JHADMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(I)c2)C1 ZINC001310254598 1071240883 /nfs/dbraw/zinc/24/08/83/1071240883.db2.gz BYKKTMJGEICNKB-LLVKDONJSA-N 1 1 452.134 3.660 20 0 JHADMO CC[N@@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)C)CCC(F)(F)F ZINC001313809269 1071236969 /nfs/dbraw/zinc/23/69/69/1071236969.db2.gz IQOIKTJOFHGWDB-UHFFFAOYSA-N 1 1 479.551 3.559 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001313809411 1071237040 /nfs/dbraw/zinc/23/70/40/1071237040.db2.gz XSEPQBOPHUVIMD-MAUKXSAKSA-N 1 1 484.954 3.588 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)CCC(F)(F)F ZINC001313809393 1071237141 /nfs/dbraw/zinc/23/71/41/1071237141.db2.gz XHYPOYQHLHWWEF-KRWDZBQOSA-N 1 1 496.553 3.854 20 0 JHADMO 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C[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC=C(Br)C1)Cc1ccc(F)cc1 ZINC001314867486 1071274728 /nfs/dbraw/zinc/27/47/28/1071274728.db2.gz MUOOWNDGMOLNQS-LJQANCHMSA-N 1 1 464.383 3.890 20 0 JHADMO CN(c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC001314866527 1071270996 /nfs/dbraw/zinc/27/09/96/1071270996.db2.gz JRERNVSCKVMHGB-LJQANCHMSA-N 1 1 478.435 3.719 20 0 JHADMO C[N@@H+](CCn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314866824 1071271660 /nfs/dbraw/zinc/27/16/60/1071271660.db2.gz CTCOWZHDYJLHMT-OAQYLSRUSA-N 1 1 452.578 3.899 20 0 JHADMO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001313819092 1071271994 /nfs/dbraw/zinc/27/19/94/1071271994.db2.gz WJGUJCDXQRXWAD-UHFFFAOYSA-N 1 1 487.574 3.738 20 0 JHADMO C[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1)Cc1ccccc1 ZINC001314867447 1071273716 /nfs/dbraw/zinc/27/37/16/1071273716.db2.gz YWMHIEPEEMBMGG-UHFFFAOYSA-N 1 1 484.695 3.733 20 0 JHADMO 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LPMNFQIRVPMCRU-HGBASVHRSA-N 1 1 471.646 3.942 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867176 1071399071 /nfs/dbraw/zinc/39/90/71/1071399071.db2.gz IAPPXLCRWUMMCN-OALUTQOASA-N 1 1 462.038 3.695 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313867406 1071400112 /nfs/dbraw/zinc/40/01/12/1071400112.db2.gz KGAZRQZGGZYCEU-JENIJYKNSA-N 1 1 478.037 3.810 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313868005 1071401507 /nfs/dbraw/zinc/40/15/07/1071401507.db2.gz LPGPLYUSWCGNHP-ULQDDVLXSA-N 1 1 452.525 3.553 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868141 1071402559 /nfs/dbraw/zinc/40/25/59/1071402559.db2.gz MKAAYVAJFQNBBX-QZTJIDSGSA-N 1 1 459.635 3.860 20 0 JHADMO 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 1071405251 /nfs/dbraw/zinc/40/52/51/1071405251.db2.gz NAIXIAAWWBYISG-JKBKZWBZSA-N 1 1 460.667 3.968 20 0 JHADMO 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 1071410353 /nfs/dbraw/zinc/41/03/53/1071410353.db2.gz PUQDYLQXQJXCJT-PMACEKPBSA-N 1 1 490.693 3.617 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@@H]1C ZINC001313868995 1071407446 /nfs/dbraw/zinc/40/74/46/1071407446.db2.gz CBJSKHGTESTUBU-SFTDATJTSA-N 1 1 452.647 3.566 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313869275 1071408352 /nfs/dbraw/zinc/40/83/52/1071408352.db2.gz PBGPQRYMOUOBCQ-FCHUYYIVSA-N 1 1 484.693 3.576 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314948447 1071411637 /nfs/dbraw/zinc/41/16/37/1071411637.db2.gz NTDIXVTZJSPNPV-UXHICEINSA-N 1 1 492.672 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870902 1071415820 /nfs/dbraw/zinc/41/58/20/1071415820.db2.gz FXPVRXPFIDLOHS-ROUUACIJSA-N 1 1 465.568 3.533 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC001313871474 1071416797 /nfs/dbraw/zinc/41/67/97/1071416797.db2.gz UAKFLDMPYCBQSW-QZTJIDSGSA-N 1 1 482.032 3.663 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@@H]1C ZINC001313871684 1071418305 /nfs/dbraw/zinc/41/83/05/1071418305.db2.gz GYDXCBMWUFPLDT-ZWKOTPCHSA-N 1 1 452.068 3.557 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871555 1071417408 /nfs/dbraw/zinc/41/74/08/1071417408.db2.gz UJZXGAVLKMJGHT-JKSUJKDBSA-N 1 1 487.555 3.657 20 0 JHADMO 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 1071424889 /nfs/dbraw/zinc/42/48/89/1071424889.db2.gz CFMCOYKEPWNFBR-VJANTYMQSA-N 1 1 470.584 3.688 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc[nH+]c1C ZINC001314954636 1071428142 /nfs/dbraw/zinc/42/81/42/1071428142.db2.gz ZVEDANXYHAJXIH-ROUUACIJSA-N 1 1 488.036 3.712 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313874135 1071427185 /nfs/dbraw/zinc/42/71/85/1071427185.db2.gz MWDTXZKPUXMVSN-SJORKVTESA-N 1 1 488.608 3.558 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313874416 1071428690 /nfs/dbraw/zinc/42/86/90/1071428690.db2.gz NVGCSYNDNLJVIX-ZWKOTPCHSA-N 1 1 457.573 3.661 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@@H]1C ZINC001313874767 1071430426 /nfs/dbraw/zinc/43/04/26/1071430426.db2.gz KBDDVWIMXPIOON-VQTJNVASSA-N 1 1 482.654 3.576 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314956635 1071430663 /nfs/dbraw/zinc/43/06/63/1071430663.db2.gz BFHCWTBRZPSUDK-RTBURBONSA-N 1 1 475.081 3.851 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314956630 1071430724 /nfs/dbraw/zinc/43/07/24/1071430724.db2.gz BFHCWTBRZPSUDK-MOPGFXCFSA-N 1 1 475.081 3.851 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(CC(C)C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001314958916 1071431953 /nfs/dbraw/zinc/43/19/53/1071431953.db2.gz SFVOUVTZDOOQJK-GGAORHGYSA-N 1 1 454.663 3.597 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876485 1071438493 /nfs/dbraw/zinc/43/84/93/1071438493.db2.gz OYEFLJOHPSSVCK-VQTJNVASSA-N 1 1 482.595 3.969 20 0 JHADMO 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 1071438507 /nfs/dbraw/zinc/43/85/07/1071438507.db2.gz PBRVDGLJCIHKKR-RTWAWAEBSA-N 1 1 486.661 3.918 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313877268 1071439225 /nfs/dbraw/zinc/43/92/25/1071439225.db2.gz VRMHETZRMBGRRM-RBUKOAKNSA-N 1 1 450.587 3.633 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313875484 1071434850 /nfs/dbraw/zinc/43/48/50/1071434850.db2.gz LYCVRXGBMFXZBW-LEWJYISDSA-N 1 1 468.646 3.533 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314963367 1071440361 /nfs/dbraw/zinc/44/03/61/1071440361.db2.gz HEWQUFBFDRPDDD-MOPGFXCFSA-N 1 1 491.080 3.839 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878750 1071445428 /nfs/dbraw/zinc/44/54/28/1071445428.db2.gz VIPWJARQTQNKBT-MOPGFXCFSA-N 1 1 458.010 3.635 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313877348 1071441568 /nfs/dbraw/zinc/44/15/68/1071441568.db2.gz XDHVMXBMVSAGAI-RBUKOAKNSA-N 1 1 480.613 3.528 20 0 JHADMO 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 1071442480 /nfs/dbraw/zinc/44/24/80/1071442480.db2.gz RHJJDFRHZJWQBI-WOJBJXKFSA-N 1 1 484.689 3.846 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878755 1071445868 /nfs/dbraw/zinc/44/58/68/1071445868.db2.gz VIPWJARQTQNKBT-RTBURBONSA-N 1 1 458.010 3.635 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313878340 1071444514 /nfs/dbraw/zinc/44/45/14/1071444514.db2.gz UHRDZQYIOHSZTN-CEXWTWQISA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001313878381 1071444655 /nfs/dbraw/zinc/44/46/55/1071444655.db2.gz UTJXOPOBIODFRX-HMJJTBFXSA-N 1 1 482.094 3.977 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001313878381 1071444659 /nfs/dbraw/zinc/44/46/59/1071444659.db2.gz UTJXOPOBIODFRX-HMJJTBFXSA-N 1 1 482.094 3.977 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001313878383 1071444681 /nfs/dbraw/zinc/44/46/81/1071444681.db2.gz UTJXOPOBIODFRX-LOKHSYKPSA-N 1 1 482.094 3.977 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001313878383 1071444683 /nfs/dbraw/zinc/44/46/83/1071444683.db2.gz UTJXOPOBIODFRX-LOKHSYKPSA-N 1 1 482.094 3.977 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@@H]1C ZINC001313879106 1071446722 /nfs/dbraw/zinc/44/67/22/1071446722.db2.gz XTNJAQMOZHJGFD-IRXDYDNUSA-N 1 1 458.657 3.607 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313879240 1071448637 /nfs/dbraw/zinc/44/86/37/1071448637.db2.gz ZEKXZGNFVSTCDQ-VQTJNVASSA-N 1 1 456.635 3.621 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001313882958 1071459632 /nfs/dbraw/zinc/45/96/32/1071459632.db2.gz BXAHHVJMYRKHOF-JRFVFWCSSA-N 1 1 482.673 3.729 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)C[C@H]1C ZINC001313884825 1071464053 /nfs/dbraw/zinc/46/40/53/1071464053.db2.gz NPWPDODBCLSXGR-CZYKHXBRSA-N 1 1 463.667 3.518 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@@H]1C ZINC001313885381 1071465941 /nfs/dbraw/zinc/46/59/41/1071465941.db2.gz OTYFHEVEUFRFFU-WMIMKTLMSA-N 1 1 455.647 3.781 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313885871 1071468160 /nfs/dbraw/zinc/46/81/60/1071468160.db2.gz QRPAJWKOPLFQDT-SFTDATJTSA-N 1 1 495.672 3.994 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001313886186 1071468869 /nfs/dbraw/zinc/46/88/69/1071468869.db2.gz MTBAFBIZEZCBFM-MOPGFXCFSA-N 1 1 459.038 3.633 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886070 1071469005 /nfs/dbraw/zinc/46/90/05/1071469005.db2.gz LXOGPISIJAVWKR-WOJBJXKFSA-N 1 1 484.645 3.741 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccc(C)s3)CC2)C1 ZINC001313887228 1071473234 /nfs/dbraw/zinc/47/32/34/1071473234.db2.gz HYBKMSDYORNCJV-LJQANCHMSA-N 1 1 458.676 3.587 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC001313887253 1071473515 /nfs/dbraw/zinc/47/35/15/1071473515.db2.gz ICVVQGHMTIXGEK-URVUXULASA-N 1 1 490.693 3.644 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)C1 ZINC001313887837 1071474296 /nfs/dbraw/zinc/47/42/96/1071474296.db2.gz LFQKFTXFCYROLX-SJORKVTESA-N 1 1 486.533 3.562 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313888551 1071477809 /nfs/dbraw/zinc/47/78/09/1071477809.db2.gz WOWZXXSFAHRSOG-PMACEKPBSA-N 1 1 458.676 3.666 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)C1 ZINC001313888693 1071478423 /nfs/dbraw/zinc/47/84/23/1071478423.db2.gz CYILBLCDSAVNPN-HSZRJFAPSA-N 1 1 498.672 3.812 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001313890142 1071481455 /nfs/dbraw/zinc/48/14/55/1071481455.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 1 1 491.478 3.588 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001313890142 1071481460 /nfs/dbraw/zinc/48/14/60/1071481460.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 1 1 491.478 3.588 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001314980868 1071483500 /nfs/dbraw/zinc/48/35/00/1071483500.db2.gz WTHHFEOXIDRIJF-OFNKIYASSA-N 1 1 482.673 3.679 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313891606 1071485275 /nfs/dbraw/zinc/48/52/75/1071485275.db2.gz YFWLJQIZIUJEIJ-XZOQPEGZSA-N 1 1 482.673 3.509 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001313894389 1071493541 /nfs/dbraw/zinc/49/35/41/1071493541.db2.gz VODDOUHFTMLSIW-GOSISDBHSA-N 1 1 456.944 3.767 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001313894770 1071494134 /nfs/dbraw/zinc/49/41/34/1071494134.db2.gz CIWACDBQJGKBNG-OAHLLOKOSA-N 1 1 464.437 3.623 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001313894769 1071494149 /nfs/dbraw/zinc/49/41/49/1071494149.db2.gz CIWACDBQJGKBNG-HNNXBMFYSA-N 1 1 464.437 3.623 20 0 JHADMO CCn1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+]2CC)cn1 ZINC001313894860 1071495043 /nfs/dbraw/zinc/49/50/43/1071495043.db2.gz XKDGJQMIVVIUDK-UYAOXDASSA-N 1 1 455.582 3.894 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313895204 1071495748 /nfs/dbraw/zinc/49/57/48/1071495748.db2.gz YYAMQWDNJNEYPS-PWRODBHTSA-N 1 1 486.636 3.735 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313895333 1071496360 /nfs/dbraw/zinc/49/63/60/1071496360.db2.gz GTZDCSRAQMLBOI-DEOSSOPVSA-N 1 1 482.673 3.913 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001313895847 1071497764 /nfs/dbraw/zinc/49/77/64/1071497764.db2.gz KWCJSYWYBRVCRW-AYLZSAKASA-N 1 1 473.046 3.852 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001313895659 1071497852 /nfs/dbraw/zinc/49/78/52/1071497852.db2.gz BCNFBNNKVHHVOQ-QFIPXVFZSA-N 1 1 454.619 3.591 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314987152 1071498181 /nfs/dbraw/zinc/49/81/81/1071498181.db2.gz AFHAZGCMYYIJDJ-IRLDBZIGSA-N 1 1 454.663 3.740 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001313896152 1071499503 /nfs/dbraw/zinc/49/95/03/1071499503.db2.gz MNEMYDASWDWFRA-SFTDATJTSA-N 1 1 459.660 3.705 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001314988010 1071500916 /nfs/dbraw/zinc/50/09/16/1071500916.db2.gz JMJFFHZEOOPZRC-QFIPXVFZSA-N 1 1 464.614 3.697 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313896892 1071500994 /nfs/dbraw/zinc/50/09/94/1071500994.db2.gz SLNPFQSPKXPGGZ-FQEVSTJZSA-N 1 1 489.686 3.617 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314988740 1071502154 /nfs/dbraw/zinc/50/21/54/1071502154.db2.gz MAGQJENSXGHJCF-WSTZPKSXSA-N 1 1 490.599 3.629 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899099 1071507245 /nfs/dbraw/zinc/50/72/45/1071507245.db2.gz GIYSYSZNOXIPNI-MOPGFXCFSA-N 1 1 479.572 3.903 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313899269 1071508009 /nfs/dbraw/zinc/50/80/09/1071508009.db2.gz IKRLYNOLLRYSMD-MOPGFXCFSA-N 1 1 460.648 3.518 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313900782 1071510067 /nfs/dbraw/zinc/51/00/67/1071510067.db2.gz PHCCMJTVXTUJPN-GGAORHGYSA-N 1 1 487.092 3.995 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCOC)CC1CC1 ZINC001313900756 1071510430 /nfs/dbraw/zinc/51/04/30/1071510430.db2.gz RZVDAKHTMDYFTR-QFIPXVFZSA-N 1 1 490.693 3.740 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313903033 1071514712 /nfs/dbraw/zinc/51/47/12/1071514712.db2.gz KWHXPMSJHQDIMK-HSZRJFAPSA-N 1 1 482.673 3.699 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313902307 1071513065 /nfs/dbraw/zinc/51/30/65/1071513065.db2.gz FJMWBVNXLSTHJD-NRFANRHFSA-N 1 1 484.645 3.707 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001313904748 1071520060 /nfs/dbraw/zinc/52/00/60/1071520060.db2.gz LMSYIUIWYAWKBN-PWRODBHTSA-N 1 1 451.656 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccccn1 ZINC001313904656 1071519114 /nfs/dbraw/zinc/51/91/14/1071519114.db2.gz KERLTUVZSMUJJP-NRFANRHFSA-N 1 1 480.613 3.877 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001313905137 1071520466 /nfs/dbraw/zinc/52/04/66/1071520466.db2.gz NKGPTRLVDIGZQL-WSTZPKSXSA-N 1 1 488.658 3.706 20 0 JHADMO 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 1071525956 /nfs/dbraw/zinc/52/59/56/1071525956.db2.gz SCOHZJVCNOHJST-CEXWTWQISA-N 1 1 489.690 3.934 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313905321 1071521477 /nfs/dbraw/zinc/52/14/77/1071521477.db2.gz WEJTXAGRHPCOSC-IBGZPJMESA-N 1 1 475.037 3.997 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313905601 1071522023 /nfs/dbraw/zinc/52/20/23/1071522023.db2.gz VZZRTNABYBDDDS-UPVQGACJSA-N 1 1 471.646 3.588 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313906102 1071523430 /nfs/dbraw/zinc/52/34/30/1071523430.db2.gz SLJYCOATTPLBTN-OALUTQOASA-N 1 1 495.466 3.540 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313905989 1071523612 /nfs/dbraw/zinc/52/36/12/1071523612.db2.gz WXMUZMYSRFWEOR-REWPJTCUSA-N 1 1 482.673 3.696 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001313907312 1071527595 /nfs/dbraw/zinc/52/75/95/1071527595.db2.gz BQBCZXQUEGZIAR-TZIWHRDSSA-N 1 1 459.660 3.849 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908207 1071529733 /nfs/dbraw/zinc/52/97/33/1071529733.db2.gz BLVSRNBTDSNQCE-AZUAARDMSA-N 1 1 470.643 3.749 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909204 1071531975 /nfs/dbraw/zinc/53/19/75/1071531975.db2.gz CFTCKHXCCZQPAF-NHCUHLMSSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313909847 1071533328 /nfs/dbraw/zinc/53/33/28/1071533328.db2.gz SGKFSUDEFPKCDD-GOSISDBHSA-N 1 1 496.607 3.897 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCCSC ZINC001313909973 1071533829 /nfs/dbraw/zinc/53/38/29/1071533829.db2.gz IUCXHPRKHNXZRE-KRWDZBQOSA-N 1 1 455.632 3.658 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001313911555 1071537667 /nfs/dbraw/zinc/53/76/67/1071537667.db2.gz CYTSRMCZWCTBBK-UHOSZYNNSA-N 1 1 457.541 3.575 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313912191 1071539597 /nfs/dbraw/zinc/53/95/97/1071539597.db2.gz UZQABECCFZJJSZ-RXVVDRJESA-N 1 1 474.675 3.655 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001313913069 1071541807 /nfs/dbraw/zinc/54/18/07/1071541807.db2.gz KEJQAFMKDYFGAB-HXUWFJFHSA-N 1 1 458.676 3.910 20 0 JHADMO 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 1071544812 /nfs/dbraw/zinc/54/48/12/1071544812.db2.gz LSLWLIMLEIWQMA-WOZUAGRISA-N 1 1 476.666 3.538 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 ZINC001313914257 1071545114 /nfs/dbraw/zinc/54/51/14/1071545114.db2.gz LZAAEESRTIQXHF-RBZQAINGSA-N 1 1 490.737 3.618 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313915153 1071549836 /nfs/dbraw/zinc/54/98/36/1071549836.db2.gz QDFNUXYOSKUNCS-FUHWJXTLSA-N 1 1 495.455 3.740 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313919440 1071556802 /nfs/dbraw/zinc/55/68/02/1071556802.db2.gz BNLCEIHIENTZSW-MRXNPFEDSA-N 1 1 490.450 3.600 20 0 JHADMO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1=O ZINC001313920960 1071560738 /nfs/dbraw/zinc/56/07/38/1071560738.db2.gz LOPSGDMHMANUPS-UHFFFAOYSA-N 1 1 495.697 3.581 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921320 1071561207 /nfs/dbraw/zinc/56/12/07/1071561207.db2.gz PQKHNOHGFLDFJH-NRFANRHFSA-N 1 1 492.716 3.947 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC=CCC3)CC2)CC1 ZINC001313922072 1071563750 /nfs/dbraw/zinc/56/37/50/1071563750.db2.gz CJAUNLCNOLKISB-JOCHJYFZSA-N 1 1 456.679 3.703 20 0 JHADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313922156 1071563866 /nfs/dbraw/zinc/56/38/66/1071563866.db2.gz SEIZFKRPPDSQCB-HSZRJFAPSA-N 1 1 482.673 3.653 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001315033320 1071564361 /nfs/dbraw/zinc/56/43/61/1071564361.db2.gz CIBBNEHLHUODCR-QGZVFWFLSA-N 1 1 488.061 3.645 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924392 1071570187 /nfs/dbraw/zinc/57/01/87/1071570187.db2.gz DSSWZXGBFSSKLN-MOPGFXCFSA-N 1 1 498.569 3.658 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923921 1071568721 /nfs/dbraw/zinc/56/87/21/1071568721.db2.gz AVADEBNFYVMBNJ-WOJBJXKFSA-N 1 1 452.603 3.770 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001313925823 1071574987 /nfs/dbraw/zinc/57/49/87/1071574987.db2.gz BBBKQQFSABBHFX-ISKFKSNPSA-N 1 1 452.691 3.962 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925825 1071575012 /nfs/dbraw/zinc/57/50/12/1071575012.db2.gz BBBKQQFSABBHFX-UPVQGACJSA-N 1 1 452.691 3.962 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926063 1071575032 /nfs/dbraw/zinc/57/50/32/1071575032.db2.gz BSPNPHNNQARLMV-HNNXBMFYSA-N 1 1 467.481 3.642 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313926304 1071576324 /nfs/dbraw/zinc/57/63/24/1071576324.db2.gz WZDWSTMOGCXTKI-QHAWAJNXSA-N 1 1 470.662 3.613 20 0 JHADMO CNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001315044964 1071576646 /nfs/dbraw/zinc/57/66/46/1071576646.db2.gz LKQZFNCNDJHGMC-MOPGFXCFSA-N 1 1 459.038 3.825 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927092 1071579361 /nfs/dbraw/zinc/57/93/61/1071579361.db2.gz ZYXCXLOBJJTDMN-OAHLLOKOSA-N 1 1 453.418 3.772 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315055096 1071580062 /nfs/dbraw/zinc/58/00/62/1071580062.db2.gz WVXRSUIMZYCUGU-SFHVURJKSA-N 1 1 474.053 3.570 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927357 1071580163 /nfs/dbraw/zinc/58/01/63/1071580163.db2.gz JWMVXVZLZFFGTI-VXKWHMMOSA-N 1 1 454.638 3.827 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927860 1071581844 /nfs/dbraw/zinc/58/18/44/1071581844.db2.gz PKRCZOXRBBYQGN-KAOXLYBCSA-N 1 1 492.778 3.945 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928009 1071581873 /nfs/dbraw/zinc/58/18/73/1071581873.db2.gz LDZCOVDFOSDQIH-QGZVFWFLSA-N 1 1 479.467 3.954 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315057286 1071582423 /nfs/dbraw/zinc/58/24/23/1071582423.db2.gz QMJCCJSRHAKWTA-IBGZPJMESA-N 1 1 474.053 3.572 20 0 JHADMO CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929264 1071586571 /nfs/dbraw/zinc/58/65/71/1071586571.db2.gz FVQNHCDLCSFTDA-WOJBJXKFSA-N 1 1 491.080 3.713 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313928592 1071583765 /nfs/dbraw/zinc/58/37/65/1071583765.db2.gz BTFVBNAMYXFVQR-IRXDYDNUSA-N 1 1 455.525 3.600 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@H]1C ZINC001313929787 1071587377 /nfs/dbraw/zinc/58/73/77/1071587377.db2.gz JNZVFVDLWMGEIO-CTNGQTDRSA-N 1 1 468.646 3.624 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931296 1071592057 /nfs/dbraw/zinc/59/20/57/1071592057.db2.gz QVXZTSGVGGJTBI-QZTJIDSGSA-N 1 1 458.010 3.807 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)C[C@H]1C ZINC001313929740 1071587556 /nfs/dbraw/zinc/58/75/56/1071587556.db2.gz IRCMTVRUYOJQGR-RTBURBONSA-N 1 1 470.643 3.704 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930073 1071587966 /nfs/dbraw/zinc/58/79/66/1071587966.db2.gz VAGBLAMIPFKTLN-NFBKMPQASA-N 1 1 474.694 3.612 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313932021 1071594880 /nfs/dbraw/zinc/59/48/80/1071594880.db2.gz GZKPOKIBUPLBMS-SFHVURJKSA-N 1 1 471.005 3.850 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313933143 1071596929 /nfs/dbraw/zinc/59/69/29/1071596929.db2.gz KDEUUHVUIBRMIR-IBGZPJMESA-N 1 1 484.645 3.884 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2OC)C[C@H]1C ZINC001313933622 1071598648 /nfs/dbraw/zinc/59/86/48/1071598648.db2.gz LULAQJCJYHIDCX-MRXNPFEDSA-N 1 1 473.419 3.633 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313934019 1071600476 /nfs/dbraw/zinc/60/04/76/1071600476.db2.gz RIYGZJLQZVJKMS-QGZVFWFLSA-N 1 1 481.472 3.629 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600596 /nfs/dbraw/zinc/60/05/96/1071600596.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 1 1 479.467 3.587 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600602 /nfs/dbraw/zinc/60/06/02/1071600602.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 1 1 479.467 3.587 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(F)CCC2)C[C@H]1C ZINC001313934319 1071601781 /nfs/dbraw/zinc/60/17/81/1071601781.db2.gz RGFJTKIVPGBKAB-OAHLLOKOSA-N 1 1 453.404 3.859 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313934636 1071602434 /nfs/dbraw/zinc/60/24/34/1071602434.db2.gz UNCJKSFKKGTKGF-LLVKDONJSA-N 1 1 468.450 3.508 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313935346 1071604736 /nfs/dbraw/zinc/60/47/36/1071604736.db2.gz YMIKSYAIGMIOLP-GOSISDBHSA-N 1 1 499.457 3.602 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCC2)C[C@@H]1C ZINC001313935754 1071606712 /nfs/dbraw/zinc/60/67/12/1071606712.db2.gz YEQMISVQPNUPLP-IBGZPJMESA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@H]1C ZINC001313936314 1071607874 /nfs/dbraw/zinc/60/78/74/1071607874.db2.gz DFNIYBFMYKCOKC-MOPGFXCFSA-N 1 1 458.607 3.564 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313936323 1071608019 /nfs/dbraw/zinc/60/80/19/1071608019.db2.gz DHDCIEJVWKOSKS-SFHVURJKSA-N 1 1 457.619 3.735 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001313936769 1071608552 /nfs/dbraw/zinc/60/85/52/1071608552.db2.gz PYVJIKQLBZWQKV-RXVVDRJESA-N 1 1 455.006 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@H]1C ZINC001313937382 1071610740 /nfs/dbraw/zinc/61/07/40/1071610740.db2.gz LWBHQMKKXUMBOE-RTWAWAEBSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313937459 1071610764 /nfs/dbraw/zinc/61/07/64/1071610764.db2.gz UQIPWXRGNUMNFY-MRXNPFEDSA-N 1 1 456.978 3.589 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313942800 1071621439 /nfs/dbraw/zinc/62/14/39/1071621439.db2.gz ODVCETRTRZBNTK-RTWAWAEBSA-N 1 1 486.661 3.857 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313941494 1071617565 /nfs/dbraw/zinc/61/75/65/1071617565.db2.gz VMQMPWOZSIHDTA-MSOLQXFVSA-N 1 1 470.643 3.640 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313941839 1071618155 /nfs/dbraw/zinc/61/81/55/1071618155.db2.gz YBYQVWZJUPGFHG-RBUKOAKNSA-N 1 1 476.691 3.964 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCc2nc(C)cs2)C[C@H]1C ZINC001313941658 1071618292 /nfs/dbraw/zinc/61/82/92/1071618292.db2.gz FCCBEBHAQCXOBP-GOSISDBHSA-N 1 1 487.699 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC(C)C)c2ccccc2OC)C[C@H]1C ZINC001313942074 1071619726 /nfs/dbraw/zinc/61/97/26/1071619726.db2.gz YXXJWCYICIUQNZ-BWKNWUBXSA-N 1 1 478.641 3.969 20 0 JHADMO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313942379 1071620232 /nfs/dbraw/zinc/62/02/32/1071620232.db2.gz IFAUDUCJDMJYMJ-XZOQPEGZSA-N 1 1 478.689 3.800 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942798 1071621351 /nfs/dbraw/zinc/62/13/51/1071621351.db2.gz ODVCETRTRZBNTK-LEWJYISDSA-N 1 1 486.661 3.857 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCC(C)C)C2)CC1 ZINC001313945897 1071627300 /nfs/dbraw/zinc/62/73/00/1071627300.db2.gz WZMCWMBNNNCQID-UNMCSNQZSA-N 1 1 458.626 3.820 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946006 1071627466 /nfs/dbraw/zinc/62/74/66/1071627466.db2.gz XKHWJRKDNZVZLU-GOTSBHOMSA-N 1 1 454.663 3.907 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001313943969 1071623950 /nfs/dbraw/zinc/62/39/50/1071623950.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 1 1 491.478 3.634 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001313943969 1071623955 /nfs/dbraw/zinc/62/39/55/1071623955.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 1 1 491.478 3.634 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944252 1071624508 /nfs/dbraw/zinc/62/45/08/1071624508.db2.gz ZBJCAMXXXJHNCO-RCZVLFRGSA-N 1 1 484.689 3.793 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944797 1071624875 /nfs/dbraw/zinc/62/48/75/1071624875.db2.gz GNCTZIHCCPHOCM-RPWUZVMVSA-N 1 1 498.716 3.802 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946007 1071628037 /nfs/dbraw/zinc/62/80/37/1071628037.db2.gz XKHWJRKDNZVZLU-PKTZIBPZSA-N 1 1 454.663 3.907 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)COC)C[C@@H]1C ZINC001313946559 1071628514 /nfs/dbraw/zinc/62/85/14/1071628514.db2.gz BFMPTACERWOWOQ-HOTGVXAUSA-N 1 1 456.418 3.977 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313946573 1071629297 /nfs/dbraw/zinc/62/92/97/1071629297.db2.gz BLRPOEJLGYFZPZ-QFIPXVFZSA-N 1 1 470.662 3.518 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946931 1071630522 /nfs/dbraw/zinc/63/05/22/1071630522.db2.gz IAHWOSBKHUKOEA-KRWDZBQOSA-N 1 1 481.508 3.565 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313947718 1071632976 /nfs/dbraw/zinc/63/29/76/1071632976.db2.gz XYGIJXFALVAXRH-KRWDZBQOSA-N 1 1 496.578 3.698 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001313948189 1071633355 /nfs/dbraw/zinc/63/33/55/1071633355.db2.gz JYXGTYAUGVXHLN-PCCBWWKXSA-N 1 1 457.619 3.601 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313950366 1071638231 /nfs/dbraw/zinc/63/82/31/1071638231.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 1 1 461.054 3.915 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313950366 1071638234 /nfs/dbraw/zinc/63/82/34/1071638234.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 1 1 461.054 3.915 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313951995 1071643719 /nfs/dbraw/zinc/64/37/19/1071643719.db2.gz CKIKDHXPTGAOHA-LJQANCHMSA-N 1 1 479.595 3.783 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCC2)CC1 ZINC001313952118 1071644373 /nfs/dbraw/zinc/64/43/73/1071644373.db2.gz XXPYDZYHZDTCPX-LJQANCHMSA-N 1 1 492.510 3.700 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313952329 1071644870 /nfs/dbraw/zinc/64/48/70/1071644870.db2.gz DTKTVBMYXIJIMA-GOSISDBHSA-N 1 1 467.584 3.716 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001313952679 1071646556 /nfs/dbraw/zinc/64/65/56/1071646556.db2.gz TWHTVYCRHVWQQC-URVUXULASA-N 1 1 476.616 3.769 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313953711 1071649448 /nfs/dbraw/zinc/64/94/48/1071649448.db2.gz IKBWZRPGPUURQL-LJQANCHMSA-N 1 1 481.110 3.941 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954095 1071650730 /nfs/dbraw/zinc/65/07/30/1071650730.db2.gz NIKYAODCRXQRHV-UHFFFAOYSA-N 1 1 467.500 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955775 1071656665 /nfs/dbraw/zinc/65/66/65/1071656665.db2.gz IIVLAHIRESIZDH-LJQANCHMSA-N 1 1 458.701 3.902 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955922 1071656802 /nfs/dbraw/zinc/65/68/02/1071656802.db2.gz WEKCRGUPQIFGNV-CTNGQTDRSA-N 1 1 494.606 3.711 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001313955786 1071656817 /nfs/dbraw/zinc/65/68/17/1071656817.db2.gz IMNHQHBTONDLOD-QFIPXVFZSA-N 1 1 468.690 3.840 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313955028 1071654111 /nfs/dbraw/zinc/65/41/11/1071654111.db2.gz DJYITGONVRNODR-SFHLNBCPSA-N 1 1 470.628 3.919 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955278 1071654849 /nfs/dbraw/zinc/65/48/49/1071654849.db2.gz QXGZVVADKOPXMI-ZJOUEHCJSA-N 1 1 476.616 3.531 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313955587 1071656269 /nfs/dbraw/zinc/65/62/69/1071656269.db2.gz SZUUGTCAZZDHAK-MOPGFXCFSA-N 1 1 463.095 3.814 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001313956083 1071657508 /nfs/dbraw/zinc/65/75/08/1071657508.db2.gz KCCISERSGCJKCJ-QFIPXVFZSA-N 1 1 498.764 3.870 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313957136 1071659439 /nfs/dbraw/zinc/65/94/39/1071659439.db2.gz QCVIFVVKVOQKBI-UHFFFAOYSA-N 1 1 460.642 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957537 1071660705 /nfs/dbraw/zinc/66/07/05/1071660705.db2.gz WAMYMPDWLJBXTK-QPPBQGQZSA-N 1 1 470.662 3.753 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957538 1071660803 /nfs/dbraw/zinc/66/08/03/1071660803.db2.gz WAMYMPDWLJBXTK-URXFXBBRSA-N 1 1 470.662 3.753 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957955 1071662384 /nfs/dbraw/zinc/66/23/84/1071662384.db2.gz SRTWGGXVOZBXKH-QFQXNSOFSA-N 1 1 488.746 3.845 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958471 1071664135 /nfs/dbraw/zinc/66/41/35/1071664135.db2.gz XCIKGDCSGURNBY-DVECYGJZSA-N 1 1 459.708 3.534 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313960109 1071668578 /nfs/dbraw/zinc/66/85/78/1071668578.db2.gz DQYOYDCAHNUBSN-JOCHJYFZSA-N 1 1 450.631 3.995 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958785 1071664681 /nfs/dbraw/zinc/66/46/81/1071664681.db2.gz YBGKMBYLEKULAL-NRFANRHFSA-N 1 1 497.732 3.832 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959098 1071665723 /nfs/dbraw/zinc/66/57/23/1071665723.db2.gz ZKKJFOQFYXFLNF-JOCHJYFZSA-N 1 1 453.679 3.554 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313959751 1071667434 /nfs/dbraw/zinc/66/74/34/1071667434.db2.gz CECRENXYFHSGIF-XMMPIXPASA-N 1 1 484.689 3.765 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313960377 1071669770 /nfs/dbraw/zinc/66/97/70/1071669770.db2.gz KFQYIJIQQMXQEV-KAOXLYBCSA-N 1 1 460.711 3.707 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)CC1 ZINC001313960363 1071669957 /nfs/dbraw/zinc/66/99/57/1071669957.db2.gz JWKAPXFROLUASF-UHFFFAOYSA-N 1 1 460.711 3.993 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313961082 1071671667 /nfs/dbraw/zinc/67/16/67/1071671667.db2.gz QBZGGNSBVXGFCI-RTWAWAEBSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961232 1071672133 /nfs/dbraw/zinc/67/21/33/1071672133.db2.gz RVJSTSLXJGEETJ-NRFANRHFSA-N 1 1 456.610 3.741 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313961541 1071672676 /nfs/dbraw/zinc/67/26/76/1071672676.db2.gz ULJOYISSJOQPAB-GOTSBHOMSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313961526 1071672818 /nfs/dbraw/zinc/67/28/18/1071672818.db2.gz UFOQIVXXJLYBPQ-XMMPIXPASA-N 1 1 486.730 3.768 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001313969404 1071693668 /nfs/dbraw/zinc/69/36/68/1071693668.db2.gz BQQHPGSBFXZRJZ-FQEVSTJZSA-N 1 1 484.689 3.921 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313973761 1071701123 /nfs/dbraw/zinc/70/11/23/1071701123.db2.gz NYCUPTHCBNAKGX-NRFANRHFSA-N 1 1 466.674 3.536 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001313975562 1071705943 /nfs/dbraw/zinc/70/59/43/1071705943.db2.gz SMTISIVXNMZVCM-UHFFFAOYSA-N 1 1 468.646 3.571 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001313984929 1071722672 /nfs/dbraw/zinc/72/26/72/1071722672.db2.gz INVSNOLCCXGDNI-MOPGFXCFSA-N 1 1 466.655 3.647 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001314017252 1071761633 /nfs/dbraw/zinc/76/16/33/1071761633.db2.gz FBZOWMAUDAIFDD-UHFFFAOYSA-N 1 1 497.688 3.976 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001314019944 1071769992 /nfs/dbraw/zinc/76/99/92/1071769992.db2.gz PPGIHWOVIPTPMX-QGZVFWFLSA-N 1 1 493.450 3.716 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314022070 1071775370 /nfs/dbraw/zinc/77/53/70/1071775370.db2.gz GZZCEOFLGKMBLK-QFIPXVFZSA-N 1 1 482.673 3.852 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001314028905 1071796837 /nfs/dbraw/zinc/79/68/37/1071796837.db2.gz SVNMKYKTIYBIBW-DFQSSKMNSA-N 1 1 458.607 3.680 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(C2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314028847 1071796898 /nfs/dbraw/zinc/79/68/98/1071796898.db2.gz HOIRLXYGZLTZFE-RBBKRZOGSA-N 1 1 490.693 3.786 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001314028472 1071795244 /nfs/dbraw/zinc/79/52/44/1071795244.db2.gz RBFMTFDFNVXULG-FGZHOGPDSA-N 1 1 484.645 3.789 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001314033348 1071813455 /nfs/dbraw/zinc/81/34/55/1071813455.db2.gz OBTFBZCGOSBVRX-DNQXCXABSA-N 1 1 498.672 3.579 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314040967 1071842402 /nfs/dbraw/zinc/84/24/02/1071842402.db2.gz SXXYZZINURXUMX-SVFBPWRDSA-N 1 1 476.666 3.538 20 0 JHADMO CCO[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001314064410 1071907887 /nfs/dbraw/zinc/90/78/87/1071907887.db2.gz WPVZPRAPZXQTGI-VXKWHMMOSA-N 1 1 459.635 3.846 20 0 JHADMO CCO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC001314074286 1071929358 /nfs/dbraw/zinc/92/93/58/1071929358.db2.gz LJTOKONVBBXAEY-JOCHJYFZSA-N 1 1 482.654 3.578 20 0 JHADMO CCO[C@@H](Cn1c(CC)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC001314076239 1071934067 /nfs/dbraw/zinc/93/40/67/1071934067.db2.gz ALPVFLXAHBIYLG-DEOSSOPVSA-N 1 1 454.663 3.613 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314084544 1071952086 /nfs/dbraw/zinc/95/20/86/1071952086.db2.gz BBXAMDDZMQPOTC-WZONZLPQSA-N 1 1 462.664 3.534 20 0 JHADMO CCO[C@]1(c2nnc(N(C)C/C(C)=C\c3ccccc3)n2C[C@@H]2CCC[N@H+]2CC)CCOC1 ZINC001314084673 1071952608 /nfs/dbraw/zinc/95/26/08/1071952608.db2.gz NWJZQZQAKNPMSF-MIDDNTHASA-N 1 1 453.631 3.954 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3csc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC001314086536 1071957273 /nfs/dbraw/zinc/95/72/73/1071957273.db2.gz MEIHBSOSVFEIKG-IERDGZPVSA-N 1 1 498.491 3.875 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)CCC(F)F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314091980 1071969202 /nfs/dbraw/zinc/96/92/02/1071969202.db2.gz WBKHRSFYIAQGBM-IXFSTUDKSA-N 1 1 457.610 3.778 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314104809 1071993258 /nfs/dbraw/zinc/99/32/58/1071993258.db2.gz KHCYVXYASLWTLN-QFIPXVFZSA-N 1 1 471.568 3.894 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](CC)O[C@@H](C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314107006 1071998511 /nfs/dbraw/zinc/99/85/11/1071998511.db2.gz YNSTXELUQKZKER-CFGBTRHTSA-N 1 1 492.064 3.890 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314113287 1072008123 /nfs/dbraw/zinc/00/81/23/1072008123.db2.gz MROVUWXMFCDAJZ-KNQAVFIVSA-N 1 1 455.594 3.534 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314113289 1072008223 /nfs/dbraw/zinc/00/82/23/1072008223.db2.gz MROVUWXMFCDAJZ-UGKGYDQZSA-N 1 1 455.594 3.534 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314113286 1072008259 /nfs/dbraw/zinc/00/82/59/1072008259.db2.gz MROVUWXMFCDAJZ-DENIHFKCSA-N 1 1 455.594 3.534 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001314113288 1072008283 /nfs/dbraw/zinc/00/82/83/1072008283.db2.gz MROVUWXMFCDAJZ-SIKLNZKXSA-N 1 1 455.594 3.534 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001314124926 1072031107 /nfs/dbraw/zinc/03/11/07/1072031107.db2.gz WBNCQQXCLKRBRL-IOMROCGXSA-N 1 1 474.477 3.681 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001314124927 1072031112 /nfs/dbraw/zinc/03/11/12/1072031112.db2.gz WBNCQQXCLKRBRL-JRGCBEDISA-N 1 1 474.477 3.681 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCc2ccccc2Cl)CCOC1 ZINC001314126576 1072035504 /nfs/dbraw/zinc/03/55/04/1072035504.db2.gz RYTIIWZGKRLSKI-XMMPIXPASA-N 1 1 462.038 3.747 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314128012 1072038907 /nfs/dbraw/zinc/03/89/07/1072038907.db2.gz ZVFDSTUITFFUKJ-RUZDIDTESA-N 1 1 463.667 3.590 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@@H](OC)C(C)C)CCOC1 ZINC001314138853 1072051561 /nfs/dbraw/zinc/05/15/61/1072051561.db2.gz TVLXJNCFHZOCHG-ZILOHOTNSA-N 1 1 477.675 3.546 20 0 JHADMO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314143732 1072059071 /nfs/dbraw/zinc/05/90/71/1072059071.db2.gz WOBILGBXDPGFHW-WNCULLNHSA-N 1 1 485.673 3.682 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927177 1068224940 /nfs/dbraw/zinc/22/49/40/1068224940.db2.gz BUEBZCIVUXCAMS-NNMXDRDESA-N 1 1 494.606 3.690 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001305928427 1068227231 /nfs/dbraw/zinc/22/72/31/1068227231.db2.gz GYUCOXATZNXVQU-DEOSSOPVSA-N 1 1 468.690 3.786 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305941842 1068251314 /nfs/dbraw/zinc/25/13/14/1068251314.db2.gz CSJOFHLUVLVQDR-FCHUYYIVSA-N 1 1 466.674 3.933 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@@](C)(O)CCOC)cc1 ZINC001305945311 1068258847 /nfs/dbraw/zinc/25/88/47/1068258847.db2.gz JSVZQNOPCACVQD-SANMLTNESA-N 1 1 455.647 3.750 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001305947001 1068263283 /nfs/dbraw/zinc/26/32/83/1068263283.db2.gz HJIWLEIGDYCMHG-QPPBQGQZSA-N 1 1 466.674 3.933 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001305947794 1068266521 /nfs/dbraw/zinc/26/65/21/1068266521.db2.gz LEJXOAHCRJRLRE-UHFFFAOYSA-N 1 1 487.714 3.891 20 0 JHADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001305948430 1068269524 /nfs/dbraw/zinc/26/95/24/1068269524.db2.gz CTBAQEGCKWBUIN-URXFXBBRSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001305950738 1068274133 /nfs/dbraw/zinc/27/41/33/1068274133.db2.gz RGLKCUDFDGVWNW-BJKOFHAPSA-N 1 1 455.647 3.727 20 0 JHADMO CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001305957320 1068286047 /nfs/dbraw/zinc/28/60/47/1068286047.db2.gz HMWRCEJECWPHGV-PMACEKPBSA-N 1 1 461.614 3.649 20 0 JHADMO CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)s1 ZINC001305967539 1068301788 /nfs/dbraw/zinc/30/17/88/1068301788.db2.gz MBTGATJJIQLVMU-IRXDYDNUSA-N 1 1 472.684 3.861 20 0 JHADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305973586 1068309891 /nfs/dbraw/zinc/30/98/91/1068309891.db2.gz HPRVTYNLMHQTFP-UNMCSNQZSA-N 1 1 468.646 3.541 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCC=CO1 ZINC001305978818 1068320593 /nfs/dbraw/zinc/32/05/93/1068320593.db2.gz RVIBEWKQLKQAAP-JOCHJYFZSA-N 1 1 469.630 3.659 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCC=CO1 ZINC001305978818 1068320612 /nfs/dbraw/zinc/32/06/12/1068320612.db2.gz RVIBEWKQLKQAAP-JOCHJYFZSA-N 1 1 469.630 3.659 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305979889 1068322813 /nfs/dbraw/zinc/32/28/13/1068322813.db2.gz RFADQVFORNBROB-ZFGGDYGUSA-N 1 1 485.673 3.780 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCC(CO)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001305983180 1068329970 /nfs/dbraw/zinc/32/99/70/1068329970.db2.gz NEXYUVGZRFNGSP-QHCPKHFHSA-N 1 1 455.647 3.893 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCC(CC(=O)NC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305984293 1068332173 /nfs/dbraw/zinc/33/21/73/1068332173.db2.gz ZVZOTSZRYQTKGT-DEOSSOPVSA-N 1 1 496.700 3.892 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984949 1068333965 /nfs/dbraw/zinc/33/39/65/1068333965.db2.gz UNWBRCYLMGATDW-PMACEKPBSA-N 1 1 470.662 3.501 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305989036 1068347051 /nfs/dbraw/zinc/34/70/51/1068347051.db2.gz AEWMHWKVIRFUMM-VSKRKVRLSA-N 1 1 471.646 3.534 20 0 JHADMO CCc1cnc(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001306000330 1068370886 /nfs/dbraw/zinc/37/08/86/1068370886.db2.gz YRIRWMYTCGXKQG-XMMPIXPASA-N 1 1 476.691 3.697 20 0 JHADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC001306002266 1068375480 /nfs/dbraw/zinc/37/54/80/1068375480.db2.gz KIPDTPMATNMHMR-UXHICEINSA-N 1 1 489.734 3.723 20 0 JHADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)s1 ZINC001306002266 1068375497 /nfs/dbraw/zinc/37/54/97/1068375497.db2.gz KIPDTPMATNMHMR-UXHICEINSA-N 1 1 489.734 3.723 20 0 JHADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)s1 ZINC001306002266 1068375513 /nfs/dbraw/zinc/37/55/13/1068375513.db2.gz KIPDTPMATNMHMR-UXHICEINSA-N 1 1 489.734 3.723 20 0 JHADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001306002383 1068376019 /nfs/dbraw/zinc/37/60/19/1068376019.db2.gz LCIYOVCBHNBMSI-SJLPKXTDSA-N 1 1 456.664 3.935 20 0 JHADMO CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)o1 ZINC001306004428 1068380602 /nfs/dbraw/zinc/38/06/02/1068380602.db2.gz LOKHUNSQFAOFTB-OAHLLOKOSA-N 1 1 476.984 3.802 20 0 JHADMO CCc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)s1 ZINC001306060893 1068499500 /nfs/dbraw/zinc/49/95/00/1068499500.db2.gz JYVNRPTYMPWDQD-OAHLLOKOSA-N 1 1 462.023 3.503 20 0 JHADMO CCc1nnc(Cn2c(CSc3ccccc3OC)nnc2N2CC[N@H+](CC)[C@H](C)C2)s1 ZINC001306060896 1068499526 /nfs/dbraw/zinc/49/95/26/1068499526.db2.gz JZDQFJOBMUGWAJ-MRXNPFEDSA-N 1 1 473.672 3.572 20 0 JHADMO CCc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001306061416 1068500558 /nfs/dbraw/zinc/50/05/58/1068500558.db2.gz LBZFBMHQGZMXMW-YLJYHZDGSA-N 1 1 461.680 3.579 20 0 JHADMO CCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306063443 1068502644 /nfs/dbraw/zinc/50/26/44/1068502644.db2.gz BCPSIMYHTRVVAZ-YLJYHZDGSA-N 1 1 481.458 3.776 20 0 JHADMO CCc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001306069458 1068505273 /nfs/dbraw/zinc/50/52/73/1068505273.db2.gz VPICAWUAURCVRP-QHCPKHFHSA-N 1 1 462.646 3.624 20 0 JHADMO CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001306076516 1068508633 /nfs/dbraw/zinc/50/86/33/1068508633.db2.gz QRROGYRNZLNMLY-KNQAVFIVSA-N 1 1 452.628 3.720 20 0 JHADMO CCc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001306102605 1068519626 /nfs/dbraw/zinc/51/96/26/1068519626.db2.gz RZKSRHGUDJPBCS-UHFFFAOYSA-N 1 1 468.415 3.615 20 0 JHADMO CCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001306114367 1068523001 /nfs/dbraw/zinc/52/30/01/1068523001.db2.gz GMNAWBQVFHPYHR-UHFFFAOYSA-N 1 1 466.674 3.951 20 0 JHADMO CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306113034 1068523021 /nfs/dbraw/zinc/52/30/21/1068523021.db2.gz UCUACQNCBTXTCC-SXLOBPIMSA-N 1 1 451.537 3.561 20 0 JHADMO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306113036 1068523163 /nfs/dbraw/zinc/52/31/63/1068523163.db2.gz UCUACQNCBTXTCC-YSIASYRMSA-N 1 1 451.537 3.561 20 0 JHADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001306121323 1068530006 /nfs/dbraw/zinc/53/00/06/1068530006.db2.gz XCWCEMNEQPJPFR-XMMPIXPASA-N 1 1 466.674 3.946 20 0 JHADMO CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001306134987 1068537401 /nfs/dbraw/zinc/53/74/01/1068537401.db2.gz RGFSBDBEIJMUJY-ISKFKSNPSA-N 1 1 460.711 3.678 20 0 JHADMO CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001306134988 1068537576 /nfs/dbraw/zinc/53/75/76/1068537576.db2.gz RGFSBDBEIJMUJY-LADGPHEKSA-N 1 1 460.711 3.678 20 0 JHADMO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001306157266 1068555459 /nfs/dbraw/zinc/55/54/59/1068555459.db2.gz NVEIMIYYVCYDJM-RTWAWAEBSA-N 1 1 453.635 3.664 20 0 JHADMO CCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@H](C(CC)CC)N1CCOCC1 ZINC001306182326 1068573072 /nfs/dbraw/zinc/57/30/72/1068573072.db2.gz FCLCEUSCRQBAGB-RUZDIDTESA-N 1 1 468.690 3.690 20 0 JHADMO CCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@H](C(CC)CC)N1CCOCC1 ZINC001306182326 1068573084 /nfs/dbraw/zinc/57/30/84/1068573084.db2.gz FCLCEUSCRQBAGB-RUZDIDTESA-N 1 1 468.690 3.690 20 0 JHADMO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306195420 1068587195 /nfs/dbraw/zinc/58/71/95/1068587195.db2.gz PNGVYYCCBGYPTQ-ZCNNSNEGSA-N 1 1 490.643 3.890 20 0 JHADMO CCc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001306198229 1068590593 /nfs/dbraw/zinc/59/05/93/1068590593.db2.gz YDGTVEKRKFVLPL-UHFFFAOYSA-N 1 1 462.646 3.603 20 0 JHADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCc1ccc(Br)cc1 ZINC001306205761 1068596597 /nfs/dbraw/zinc/59/65/97/1068596597.db2.gz BEPJASBOXWJFMV-UHFFFAOYSA-N 1 1 486.462 3.518 20 0 JHADMO CCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001306206142 1068597276 /nfs/dbraw/zinc/59/72/76/1068597276.db2.gz XSUXBFXTFHHAFM-LJQANCHMSA-N 1 1 456.635 3.855 20 0 JHADMO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001306206029 1068597443 /nfs/dbraw/zinc/59/74/43/1068597443.db2.gz DCNZMJWNKAHXQA-IKGGRYGDSA-N 1 1 474.572 3.587 20 0 JHADMO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001306206029 1068597454 /nfs/dbraw/zinc/59/74/54/1068597454.db2.gz DCNZMJWNKAHXQA-IKGGRYGDSA-N 1 1 474.572 3.587 20 0 JHADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001306208667 1068599906 /nfs/dbraw/zinc/59/99/06/1068599906.db2.gz DXBJDLPSDCOCKT-NRFANRHFSA-N 1 1 450.587 3.623 20 0 JHADMO CCc1nnc(N[C@H](C)[C@H](OC)c2ccccc2Cl)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001306228923 1068614461 /nfs/dbraw/zinc/61/44/61/1068614461.db2.gz ZFLHBGNWUSEACR-FHZYATBESA-N 1 1 480.078 3.890 20 0 JHADMO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)CC2)n1 ZINC001306240577 1068640751 /nfs/dbraw/zinc/64/07/51/1068640751.db2.gz HLNXCHHSFDVYLJ-UHFFFAOYSA-N 1 1 460.696 3.581 20 0 JHADMO CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3CC[N@H+]3CCCC[C@@H]3CC)CC2)n1 ZINC001306241073 1068643103 /nfs/dbraw/zinc/64/31/03/1068643103.db2.gz ZFYSXHOBDSTMNP-MOPGFXCFSA-N 1 1 460.696 3.797 20 0 JHADMO CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3CC[N@H+]3CCCC[C@@H]3CC)CC2)n1 ZINC001306241074 1068643154 /nfs/dbraw/zinc/64/31/54/1068643154.db2.gz ZFYSXHOBDSTMNP-OALUTQOASA-N 1 1 460.696 3.797 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001306245896 1068652754 /nfs/dbraw/zinc/65/27/54/1068652754.db2.gz SCKLYYMOIOETKY-DUXKGJEZSA-N 1 1 489.064 3.907 20 0 JHADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCn1cc[nH+]c1C ZINC001306248547 1068658185 /nfs/dbraw/zinc/65/81/85/1068658185.db2.gz VICBHQRWEZNBJH-QFIPXVFZSA-N 1 1 463.630 3.943 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@H+]1CCCC[C@H]1C ZINC001306258324 1068665769 /nfs/dbraw/zinc/66/57/69/1068665769.db2.gz AGJFBKWNDNPCMN-WOJBJXKFSA-N 1 1 486.686 3.558 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001306258322 1068665831 /nfs/dbraw/zinc/66/58/31/1068665831.db2.gz AGJFBKWNDNPCMN-VQTJNVASSA-N 1 1 486.686 3.558 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001306277155 1068691165 /nfs/dbraw/zinc/69/11/65/1068691165.db2.gz JWLJTCLYIVCNSJ-CQOQZXRMSA-N 1 1 455.647 3.946 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccccc2F)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306287840 1068705937 /nfs/dbraw/zinc/70/59/37/1068705937.db2.gz HQBOOSWUXRCQEV-JQVVWYNYSA-N 1 1 456.610 3.652 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001306312713 1068731380 /nfs/dbraw/zinc/73/13/80/1068731380.db2.gz HJNADKYELQOHQG-SFHVURJKSA-N 1 1 469.659 3.927 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 ZINC001306315590 1068734692 /nfs/dbraw/zinc/73/46/92/1068734692.db2.gz BBNCFTPMEWABSJ-FGZHOGPDSA-N 1 1 463.667 3.806 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001306316730 1068736779 /nfs/dbraw/zinc/73/67/79/1068736779.db2.gz GHEVMZTYRMZYHI-HXUWFJFHSA-N 1 1 477.078 3.679 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001306316729 1068736803 /nfs/dbraw/zinc/73/68/03/1068736803.db2.gz GHEVMZTYRMZYHI-FQEVSTJZSA-N 1 1 477.078 3.679 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306317297 1068737833 /nfs/dbraw/zinc/73/78/33/1068737833.db2.gz JJZHLENDWQTSEZ-FQEVSTJZSA-N 1 1 490.599 3.903 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 ZINC001306317537 1068738172 /nfs/dbraw/zinc/73/81/72/1068738172.db2.gz KBSOLMRDEDEGJQ-PMACEKPBSA-N 1 1 471.675 3.912 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001306317937 1068739670 /nfs/dbraw/zinc/73/96/70/1068739670.db2.gz LVRJYJQQTMIADY-XMMPIXPASA-N 1 1 495.672 3.517 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318344 1068741212 /nfs/dbraw/zinc/74/12/12/1068741212.db2.gz FVLFWGXAAYDWNZ-YADHBBJMSA-N 1 1 459.660 3.613 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001306318523 1068742172 /nfs/dbraw/zinc/74/21/72/1068742172.db2.gz OLXUYDAFLWONPE-HSZRJFAPSA-N 1 1 481.689 3.624 20 0 JHADMO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 ZINC001306318960 1068743283 /nfs/dbraw/zinc/74/32/83/1068743283.db2.gz QGGKOMPGVALXLR-HXUWFJFHSA-N 1 1 492.510 3.841 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 ZINC001306318960 1068743297 /nfs/dbraw/zinc/74/32/97/1068743297.db2.gz QGGKOMPGVALXLR-HXUWFJFHSA-N 1 1 492.510 3.841 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 ZINC001306319263 1068744579 /nfs/dbraw/zinc/74/45/79/1068744579.db2.gz RYYUOHCQHKWTBL-CTNGQTDRSA-N 1 1 487.645 3.851 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319746 1068746782 /nfs/dbraw/zinc/74/67/82/1068746782.db2.gz VVLCTWMQGKSGRY-JTHBVZDNSA-N 1 1 468.646 3.523 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)C ZINC001306320035 1068747368 /nfs/dbraw/zinc/74/73/68/1068747368.db2.gz ZLGBNOUJGTXEMA-NRFANRHFSA-N 1 1 476.691 3.552 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306320376 1068749424 /nfs/dbraw/zinc/74/94/24/1068749424.db2.gz VBNZSIAQSQRQJT-HXUWFJFHSA-N 1 1 474.053 3.563 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCC(=O)NC ZINC001306320792 1068749504 /nfs/dbraw/zinc/74/95/04/1068749504.db2.gz XCSBWNCYZVJWDN-MRXNPFEDSA-N 1 1 497.507 3.996 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320965 1068750228 /nfs/dbraw/zinc/75/02/28/1068750228.db2.gz CRBIBCRULDWURD-FCHUYYIVSA-N 1 1 476.666 3.699 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306320946 1068750433 /nfs/dbraw/zinc/75/04/33/1068750433.db2.gz CMPRXPBSUXIATR-LJQANCHMSA-N 1 1 465.568 3.597 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001306322571 1068753719 /nfs/dbraw/zinc/75/37/19/1068753719.db2.gz GSGRXNGMZOTQFV-DHLKQENFSA-N 1 1 495.716 3.906 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1scnc1C ZINC001306322701 1068754418 /nfs/dbraw/zinc/75/44/18/1068754418.db2.gz ITNDHEBMPLARGN-ZJOUEHCJSA-N 1 1 462.664 3.668 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001306323542 1068757389 /nfs/dbraw/zinc/75/73/89/1068757389.db2.gz PJNLCGDPAUJJFK-IEBWSBKVSA-N 1 1 452.441 3.926 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306323485 1068757409 /nfs/dbraw/zinc/75/74/09/1068757409.db2.gz LXGHRURCBGCICV-LJQANCHMSA-N 1 1 466.630 3.573 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 ZINC001306324025 1068758558 /nfs/dbraw/zinc/75/85/58/1068758558.db2.gz NZPORPZOGCFKEM-SFHVURJKSA-N 1 1 495.455 3.755 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001306324082 1068759217 /nfs/dbraw/zinc/75/92/17/1068759217.db2.gz NHXOBJHRBWBXEB-HSZRJFAPSA-N 1 1 466.674 3.765 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 ZINC001306325123 1068761072 /nfs/dbraw/zinc/76/10/72/1068761072.db2.gz WJYMYQJPXFHYEI-RTWAWAEBSA-N 1 1 457.619 3.700 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001306325572 1068761654 /nfs/dbraw/zinc/76/16/54/1068761654.db2.gz UJPRKDMAVKEYGH-LJQANCHMSA-N 1 1 472.600 3.636 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306325232 1068761902 /nfs/dbraw/zinc/76/19/02/1068761902.db2.gz SZDDGASCYSOBDY-PKTZIBPZSA-N 1 1 497.688 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C ZINC001306325471 1068762414 /nfs/dbraw/zinc/76/24/14/1068762414.db2.gz YCUFGAGSEQSZDB-IRLDBZIGSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306340251 1068776899 /nfs/dbraw/zinc/77/68/99/1068776899.db2.gz AKXZRUZXAUTJIA-ZJSXRUAMSA-N 1 1 471.646 3.849 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001306340906 1068777378 /nfs/dbraw/zinc/77/73/78/1068777378.db2.gz MYIXYXPPFWFBGQ-DNVJHFABSA-N 1 1 460.711 3.851 20 0 JHADMO CC[C@H]1CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306345115 1068781669 /nfs/dbraw/zinc/78/16/69/1068781669.db2.gz KHQPTVGTARYEFA-AEFFLSMTSA-N 1 1 478.435 3.816 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306355234 1068789956 /nfs/dbraw/zinc/78/99/56/1068789956.db2.gz DUVICVXDUBONJS-PKTZIBPZSA-N 1 1 482.673 3.795 20 0 JHADMO CC[C@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001306357519 1068792285 /nfs/dbraw/zinc/79/22/85/1068792285.db2.gz RHKWEZIYMBOPAO-GOTSBHOMSA-N 1 1 454.663 3.818 20 0 JHADMO CC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306363062 1068799004 /nfs/dbraw/zinc/79/90/04/1068799004.db2.gz QFHVCDDPWHOKOO-MOPGFXCFSA-N 1 1 475.479 3.970 20 0 JHADMO CCC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001306375081 1068808124 /nfs/dbraw/zinc/80/81/24/1068808124.db2.gz OBFOIHXCRNUORK-UHFFFAOYSA-N 1 1 492.709 3.987 20 0 JHADMO CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001306381983 1068813517 /nfs/dbraw/zinc/81/35/17/1068813517.db2.gz SEHGDZCXNNHULS-OAQYLSRUSA-N 1 1 472.653 3.896 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC3CCCC3)nc2)CC[N@H+]1CCOC ZINC001306387376 1068822130 /nfs/dbraw/zinc/82/21/30/1068822130.db2.gz DWXLJDCBWHQUGK-OAQYLSRUSA-N 1 1 470.662 3.887 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC001306387302 1068822194 /nfs/dbraw/zinc/82/21/94/1068822194.db2.gz DMVOKCSWWXLSFH-OAQYLSRUSA-N 1 1 457.692 3.515 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001306390748 1068829939 /nfs/dbraw/zinc/82/99/39/1068829939.db2.gz UPFCTWHAKLHXCX-WOIUINJBSA-N 1 1 489.064 3.597 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cc(Br)ccc2OC)CC[N@H+]1CCOC ZINC001306390733 1068830000 /nfs/dbraw/zinc/83/00/00/1068830000.db2.gz UKSSSCZBKHYLJG-LJQANCHMSA-N 1 1 494.478 3.942 20 0 JHADMO CC[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(F)(F)F)CC[N@H+]1CCOC ZINC001306395680 1068841706 /nfs/dbraw/zinc/84/17/06/1068841706.db2.gz FPZDIVCIAKNOEG-LJQANCHMSA-N 1 1 451.537 3.857 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)COC)CC[N@H+]1CCOC ZINC001306396481 1068844315 /nfs/dbraw/zinc/84/43/15/1068844315.db2.gz IKYFIUCUXQDJPR-FXAWDEMLSA-N 1 1 480.451 3.537 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001306396536 1068844455 /nfs/dbraw/zinc/84/44/55/1068844455.db2.gz WCQXFNJQLGLLQE-XSDIEEQYSA-N 1 1 475.609 3.529 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001306396813 1068846043 /nfs/dbraw/zinc/84/60/43/1068846043.db2.gz KKIVHUQINRKXIZ-CRAIPNDOSA-N 1 1 476.423 3.645 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306399907 1068856959 /nfs/dbraw/zinc/85/69/59/1068856959.db2.gz GPCOGZHZNMPVJC-HXUWFJFHSA-N 1 1 470.643 3.622 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001306402608 1068864902 /nfs/dbraw/zinc/86/49/02/1068864902.db2.gz OFBWICBOTYBSSV-FPOVZHCZSA-N 1 1 479.572 3.519 20 0 JHADMO 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 1068870408 /nfs/dbraw/zinc/87/04/08/1068870408.db2.gz WXUXJWSULMNROD-QKNQBKEWSA-N 1 1 487.645 3.707 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001306405057 1068871115 /nfs/dbraw/zinc/87/11/15/1068871115.db2.gz YBGLIIBISORFNF-VQTJNVASSA-N 1 1 450.052 3.777 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCc2c(F)cccc2F)CC[N@H+]1CCOC ZINC001306406076 1068874955 /nfs/dbraw/zinc/87/49/55/1068874955.db2.gz VAOZHJGEQKDXBZ-GOSISDBHSA-N 1 1 459.541 3.914 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccsc2)CC[N@H+]1CCOC ZINC001306410691 1068890804 /nfs/dbraw/zinc/89/08/04/1068890804.db2.gz RSVXAXUTHSOJAA-CVDCTZTESA-N 1 1 491.061 3.510 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001306410291 1068891169 /nfs/dbraw/zinc/89/11/69/1068891169.db2.gz RNHMGYWFDRJPND-RDJZCZTQSA-N 1 1 466.399 3.946 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@@H+](C)CCOC)CCS1 ZINC001306412635 1068897645 /nfs/dbraw/zinc/89/76/45/1068897645.db2.gz HLPIGEUUTHPPNK-QGZVFWFLSA-N 1 1 498.491 3.626 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCn2cc[nH+]c2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306412551 1068897734 /nfs/dbraw/zinc/89/77/34/1068897734.db2.gz FOGRNGFEHLSIMS-UXHICEINSA-N 1 1 480.617 3.675 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001306413110 1068899706 /nfs/dbraw/zinc/89/97/06/1068899706.db2.gz YOKHETHZWPVJFK-NVXWUHKLSA-N 1 1 498.466 3.899 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001306413110 1068899713 /nfs/dbraw/zinc/89/97/13/1068899713.db2.gz YOKHETHZWPVJFK-NVXWUHKLSA-N 1 1 498.466 3.899 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCOc2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001306415544 1068904162 /nfs/dbraw/zinc/90/41/62/1068904162.db2.gz QSLFBOHLGUXURE-FQEVSTJZSA-N 1 1 473.021 3.563 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001306416827 1068906682 /nfs/dbraw/zinc/90/66/82/1068906682.db2.gz SXRHOJQKILNOHY-PXNSSMCTSA-N 1 1 497.562 3.852 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001306419257 1068911326 /nfs/dbraw/zinc/91/13/26/1068911326.db2.gz CDLGVNLKWUBAQA-CVDCTZTESA-N 1 1 451.619 3.571 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CCN1CCOC ZINC001306423386 1068916412 /nfs/dbraw/zinc/91/64/12/1068916412.db2.gz LEYYGNIYLROWEC-FQEVSTJZSA-N 1 1 467.662 3.561 20 0 JHADMO CCOc1ccccc1[C@](N)(C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)C(F)(F)F ZINC001306424042 1068917699 /nfs/dbraw/zinc/91/76/99/1068917699.db2.gz HDVXVAIYLUUUJX-NRFANRHFSA-N 1 1 450.436 3.751 20 0 JHADMO CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306424904 1068918999 /nfs/dbraw/zinc/91/89/99/1068918999.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 1 1 460.711 3.993 20 0 JHADMO CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306424904 1068919008 /nfs/dbraw/zinc/91/90/08/1068919008.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 1 1 460.711 3.993 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001306425781 1068920211 /nfs/dbraw/zinc/92/02/11/1068920211.db2.gz KRYKSFGTTXCVRL-OTNCWRBYSA-N 1 1 492.064 3.628 20 0 JHADMO 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CCC(CC)[C@@H](CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)OC ZINC001310745858 1069148106 /nfs/dbraw/zinc/14/81/06/1069148106.db2.gz SWCZSAASZBYXHB-GOSISDBHSA-N 1 1 456.429 3.559 20 0 JHADMO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306530719 1069170592 /nfs/dbraw/zinc/17/05/92/1069170592.db2.gz SBRMMOBICIBHFJ-HCYUJWNOSA-N 1 1 492.064 3.705 20 0 JHADMO Cc1ccc(Sc2nsc(NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC001310830687 1069182465 /nfs/dbraw/zinc/18/24/65/1069182465.db2.gz AOKQWNIBRCKPSW-UHFFFAOYSA-N 1 1 454.625 3.941 20 0 JHADMO COC(=O)[C@@H](C)c1ccc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC001310867351 1069200071 /nfs/dbraw/zinc/20/00/71/1069200071.db2.gz SQTFMTXXPPKFKE-SFHVURJKSA-N 1 1 450.539 3.894 20 0 JHADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C[C@H](C)O1 ZINC001310875143 1069202582 /nfs/dbraw/zinc/20/25/82/1069202582.db2.gz BYONQHDYMNFHBV-KBPBESRZSA-N 1 1 453.996 3.780 20 0 JHADMO CCC[C@H](C)C(=O)NCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001306548081 1069208258 /nfs/dbraw/zinc/20/82/58/1069208258.db2.gz GGLCBOZFABWNEA-IBGZPJMESA-N 1 1 456.610 3.559 20 0 JHADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001306548541 1069209229 /nfs/dbraw/zinc/20/92/29/1069209229.db2.gz LVPSQTTZWJLETJ-NHCUHLMSSA-N 1 1 482.673 3.817 20 0 JHADMO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001306554910 1069221735 /nfs/dbraw/zinc/22/17/35/1069221735.db2.gz DZOBDCWXUQSVFT-WWNPGLIZSA-N 1 1 482.673 3.699 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1CC1 ZINC001310935872 1069227057 /nfs/dbraw/zinc/22/70/57/1069227057.db2.gz IJTPVZUAXPQEBA-ZWKOTPCHSA-N 1 1 458.525 3.652 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001306558838 1069229140 /nfs/dbraw/zinc/22/91/40/1069229140.db2.gz RUHMTNDVFVWOJQ-IRXDYDNUSA-N 1 1 467.456 3.639 20 0 JHADMO CCC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001306558838 1069229156 /nfs/dbraw/zinc/22/91/56/1069229156.db2.gz RUHMTNDVFVWOJQ-IRXDYDNUSA-N 1 1 467.456 3.639 20 0 JHADMO COC(=O)CCn1nc(C)c(NC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)c1C ZINC001310981527 1069239191 /nfs/dbraw/zinc/23/91/91/1069239191.db2.gz MBPJCCDWGBPXQV-UHFFFAOYSA-N 1 1 456.572 3.911 20 0 JHADMO C[N@@H+](Cc1ccc2nc(NC(=O)NCCS(=O)(=O)Cc3ccccc3)sc2c1)C1CC1 ZINC001310981351 1069239374 /nfs/dbraw/zinc/23/93/74/1069239374.db2.gz GPGCLMCVZMGYRD-UHFFFAOYSA-N 1 1 458.609 3.627 20 0 JHADMO CCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001306572970 1069240116 /nfs/dbraw/zinc/24/01/16/1069240116.db2.gz GSRXNLVHGPDFFA-FQEVSTJZSA-N 1 1 470.662 3.615 20 0 JHADMO CCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306580714 1069245644 /nfs/dbraw/zinc/24/56/44/1069245644.db2.gz IRXLSGRNYXRAFB-NHCUHLMSSA-N 1 1 453.635 3.642 20 0 JHADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001311023529 1069250794 /nfs/dbraw/zinc/25/07/94/1069250794.db2.gz TUVFCXMBLWZFDA-AWEZNQCLSA-N 1 1 457.884 3.966 20 0 JHADMO CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306594550 1069266430 /nfs/dbraw/zinc/26/64/30/1069266430.db2.gz MBENEGSEOXWDQP-RBUKOAKNSA-N 1 1 457.619 3.924 20 0 JHADMO 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 ZINC001311085157 1069268366 /nfs/dbraw/zinc/26/83/66/1069268366.db2.gz XGHKOQPSYLBQBG-KIHHCIJBSA-N 1 1 456.631 3.764 20 0 JHADMO COc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2nccc(OC)c2c1 ZINC001311182010 1069292173 /nfs/dbraw/zinc/29/21/73/1069292173.db2.gz INWCOCPAXTWYMI-GAJHUEQPSA-N 1 1 450.539 3.663 20 0 JHADMO COc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2nccc(OC)c2c1 ZINC001311182010 1069292180 /nfs/dbraw/zinc/29/21/80/1069292180.db2.gz INWCOCPAXTWYMI-GAJHUEQPSA-N 1 1 450.539 3.663 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)OC)CC[N@H+]1CCOC ZINC001306616567 1069298114 /nfs/dbraw/zinc/29/81/14/1069298114.db2.gz IDKZXJMOKWEKMR-SJLPKXTDSA-N 1 1 498.441 3.819 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(SC)c(C(=O)OC)c2)CC1 ZINC001311210844 1069298766 /nfs/dbraw/zinc/29/87/66/1069298766.db2.gz FFKDFMDMLHETTN-UHFFFAOYSA-N 1 1 456.612 3.654 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCOCC2)CCO1 ZINC001306617963 1069300490 /nfs/dbraw/zinc/30/04/90/1069300490.db2.gz SPGCVROHKORFLB-GOTSBHOMSA-N 1 1 471.646 3.763 20 0 JHADMO O=C(Nc1ccc(Br)c(OCCC2CCCCC2)c1)N1CC[NH+](CCO)CC1 ZINC001311226852 1069302389 /nfs/dbraw/zinc/30/23/89/1069302389.db2.gz ITXJRNKRVQFYDH-UHFFFAOYSA-N 1 1 454.409 3.940 20 0 JHADMO Cc1c(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc(Br)cc1C(F)(F)F ZINC001311231366 1069303419 /nfs/dbraw/zinc/30/34/19/1069303419.db2.gz FPXQNZLCUTYORE-UHFFFAOYSA-N 1 1 451.331 3.924 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CC[N@H+]1CCOC 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FVHPPXQHSKPFKZ-UHFFFAOYSA-N 1 1 455.962 3.779 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC3)cs1 ZINC001164691207 719803845 /nfs/dbraw/zinc/80/38/45/719803845.db2.gz FVHPPXQHSKPFKZ-UHFFFAOYSA-N 1 1 455.962 3.779 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)cs1 ZINC001164704466 719816610 /nfs/dbraw/zinc/81/66/10/719816610.db2.gz YBQJPDYGMZCCRH-QGZVFWFLSA-N 1 1 450.008 3.698 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc3c(c21)CCCCC3 ZINC001164705699 719868882 /nfs/dbraw/zinc/86/88/82/719868882.db2.gz NVFCHIKXZRKPCQ-OSPHWJPCSA-N 1 1 458.628 3.501 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccsc2)nc2ccccc21 ZINC001164704969 719869423 /nfs/dbraw/zinc/86/94/23/719869423.db2.gz MLUAGEYVGREHFB-HOYKHHGWSA-N 1 1 452.580 3.591 20 0 JHADMO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694915 719887356 /nfs/dbraw/zinc/88/73/56/719887356.db2.gz HDSHOVYUQJMYED-UHFFFAOYSA-N 1 1 462.619 3.945 20 0 JHADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC3)C2)c1 ZINC001164696144 719891327 /nfs/dbraw/zinc/89/13/27/719891327.db2.gz ZLUJGUZAVLMURF-UHFFFAOYSA-N 1 1 475.662 3.968 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2s1 ZINC001164698977 719895310 /nfs/dbraw/zinc/89/53/10/719895310.db2.gz VBXQMVPSJQAKOG-UHFFFAOYSA-N 1 1 458.609 3.801 20 0 JHADMO c1csc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC3)C2)c1 ZINC001164706273 719902745 /nfs/dbraw/zinc/90/27/45/719902745.db2.gz GQQGUWAELGTJRS-UHFFFAOYSA-N 1 1 491.661 3.913 20 0 JHADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CC[C@@H](C)C5)C3)n1 ZINC001164806458 720060421 /nfs/dbraw/zinc/06/04/21/720060421.db2.gz RWKNZWGHEOYQQO-XVNUGVHUSA-N 1 1 480.638 3.508 20 0 JHADMO c1ccn(Cc2nnc3n2CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CC3)c1 ZINC001164711570 720090714 /nfs/dbraw/zinc/09/07/14/720090714.db2.gz QXZXXHZNNVSXTC-UHFFFAOYSA-N 1 1 488.665 3.670 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807914 720093781 /nfs/dbraw/zinc/09/37/81/720093781.db2.gz GLJANYJKUXJWJM-CJFMBICVSA-N 1 1 467.017 3.713 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810994 720093947 /nfs/dbraw/zinc/09/39/47/720093947.db2.gz MRFJTFHXFPNWIR-LVXARBLLSA-N 1 1 468.045 3.831 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164712723 720099967 /nfs/dbraw/zinc/09/99/67/720099967.db2.gz YNBQIVPDEQTWKC-RUZDIDTESA-N 1 1 485.632 3.914 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164715529 720106660 /nfs/dbraw/zinc/10/66/60/720106660.db2.gz HGOBCGLINLWYCO-SFHVURJKSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164716973 720114201 /nfs/dbraw/zinc/11/42/01/720114201.db2.gz MPLHTESLRDAPNZ-QHCPKHFHSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164710809 720150159 /nfs/dbraw/zinc/15/01/59/720150159.db2.gz CWHQDEHVMRFAKT-QHCPKHFHSA-N 1 1 450.631 3.760 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c(Cl)n1 ZINC001164820241 720156224 /nfs/dbraw/zinc/15/62/24/720156224.db2.gz ZUFQENFISKXXRD-KKSFZXQISA-N 1 1 457.949 3.641 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164819468 720190662 /nfs/dbraw/zinc/19/06/62/720190662.db2.gz XFRCOWGPVLCWGA-UZLBHIALSA-N 1 1 453.921 3.515 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CCC2 ZINC001164813976 720238855 /nfs/dbraw/zinc/23/88/55/720238855.db2.gz SOQMLHQRYKVCQC-UHFFFAOYSA-N 1 1 478.931 3.742 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccccc1F)CCC2 ZINC001164817978 720245303 /nfs/dbraw/zinc/24/53/03/720245303.db2.gz VVLHCFYJRMJLQE-UHFFFAOYSA-N 1 1 472.952 3.869 20 0 JHADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1 ZINC001164819669 720308607 /nfs/dbraw/zinc/30/86/07/720308607.db2.gz FRXBBTNJQDLKDC-RRPNLBNLSA-N 1 1 473.665 3.551 20 0 JHADMO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164720827 720316121 /nfs/dbraw/zinc/31/61/21/720316121.db2.gz AQKYFFSOAXBPPK-HXUWFJFHSA-N 1 1 481.670 3.921 20 0 JHADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735893 720415665 /nfs/dbraw/zinc/41/56/65/720415665.db2.gz ZBQPRDJNDXHTMN-RTWAWAEBSA-N 1 1 453.587 3.606 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834408 720515519 /nfs/dbraw/zinc/51/55/19/720515519.db2.gz FZHVAHFCPYWDQC-GIFXNVAJSA-N 1 1 458.610 3.586 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836197 720600067 /nfs/dbraw/zinc/60/00/67/720600067.db2.gz FGDWCTFJVSGMAH-JCYRPKCISA-N 1 1 470.621 3.859 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC[C@@H]21 ZINC001164843267 720608745 /nfs/dbraw/zinc/60/87/45/720608745.db2.gz XIIIKRKTTQGRAF-GJYPPUQNSA-N 1 1 450.965 3.738 20 0 JHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c(OC)c1 ZINC001164843263 720622704 /nfs/dbraw/zinc/62/27/04/720622704.db2.gz XGAVVEUWXVKWJR-JXALWOEJSA-N 1 1 462.598 3.735 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840982 720653170 /nfs/dbraw/zinc/65/31/70/720653170.db2.gz OMAWKUJHAONKGV-OWCLPIDISA-N 1 1 482.004 3.945 20 0 JHADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739605 720659442 /nfs/dbraw/zinc/65/94/42/720659442.db2.gz OEXLFPFKAULCLE-ROUUACIJSA-N 1 1 460.488 3.707 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164838121 720661864 /nfs/dbraw/zinc/66/18/64/720661864.db2.gz FLQRNAUEGULDFM-KRWDZBQOSA-N 1 1 464.944 3.639 20 0 JHADMO c1ccc(-c2ncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738936 720689933 /nfs/dbraw/zinc/68/99/33/720689933.db2.gz LPIRHZYDCUXANZ-GOTSBHOMSA-N 1 1 450.546 3.943 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164837013 720708953 /nfs/dbraw/zinc/70/89/53/720708953.db2.gz CSVUTUSFJSDTIF-KRWDZBQOSA-N 1 1 469.973 3.658 20 0 JHADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164742624 720718020 /nfs/dbraw/zinc/71/80/20/720718020.db2.gz WDIUVOQZWCZSQX-OALUTQOASA-N 1 1 456.525 3.876 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C(=O)OCC ZINC001164836894 720729297 /nfs/dbraw/zinc/72/92/97/720729297.db2.gz HSIBHDIZABNPRA-OAQYLSRUSA-N 1 1 481.593 3.695 20 0 JHADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164744149 720760316 /nfs/dbraw/zinc/76/03/16/720760316.db2.gz RHKNOKRMGIFGNA-MSOLQXFVSA-N 1 1 460.488 3.707 20 0 JHADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164742172 720785156 /nfs/dbraw/zinc/78/51/56/720785156.db2.gz CKHGQUADRFPAAI-UXHICEINSA-N 1 1 462.985 3.808 20 0 JHADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164750636 720802709 /nfs/dbraw/zinc/80/27/09/720802709.db2.gz WLMXNSOHTRFVAP-RDJZCZTQSA-N 1 1 459.337 3.708 20 0 JHADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164748295 720803122 /nfs/dbraw/zinc/80/31/22/720803122.db2.gz QNINJHLQMZQSCT-HKUYNNGSSA-N 1 1 452.946 3.617 20 0 JHADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164745328 720803168 /nfs/dbraw/zinc/80/31/68/720803168.db2.gz JYKXKFLBUURKNX-RDJZCZTQSA-N 1 1 459.337 3.708 20 0 JHADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164750627 720803218 /nfs/dbraw/zinc/80/32/18/720803218.db2.gz WLMXNSOHTRFVAP-DOTOQJQBSA-N 1 1 459.337 3.708 20 0 JHADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164745325 720803227 /nfs/dbraw/zinc/80/32/27/720803227.db2.gz JYKXKFLBUURKNX-NVXWUHKLSA-N 1 1 459.337 3.708 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)n1 ZINC001164848489 720803829 /nfs/dbraw/zinc/80/38/29/720803829.db2.gz PVCVOXUZNXDYEO-SESVDKBCSA-N 1 1 477.634 3.540 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164742710 720806534 /nfs/dbraw/zinc/80/65/34/720806534.db2.gz DCDMYYWQAXTVRS-IRXDYDNUSA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164742710 720806536 /nfs/dbraw/zinc/80/65/36/720806536.db2.gz DCDMYYWQAXTVRS-IRXDYDNUSA-N 1 1 476.890 3.613 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)n1 ZINC001164852341 720812848 /nfs/dbraw/zinc/81/28/48/720812848.db2.gz NFERWXGEZQTDOU-WOJBJXKFSA-N 1 1 464.639 3.640 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@@H]3C2)n1 ZINC001164855585 720813394 /nfs/dbraw/zinc/81/33/94/720813394.db2.gz XJKLIFMVMWORPE-SFTDATJTSA-N 1 1 484.629 3.910 20 0 JHADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746205 720818451 /nfs/dbraw/zinc/81/84/51/720818451.db2.gz YHDOYRRJFGPTMF-HLLBOEOZSA-N 1 1 479.988 3.861 20 0 JHADMO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164740769 720819544 /nfs/dbraw/zinc/81/95/44/720819544.db2.gz LFLAUBNLAKKBLN-QWFCFKBJSA-N 1 1 451.644 3.960 20 0 JHADMO Fc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1F ZINC001164742068 720823983 /nfs/dbraw/zinc/82/39/83/720823983.db2.gz PLJCMUUQXFIMER-QEEYODRMSA-N 1 1 459.932 3.532 20 0 JHADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739833 720826571 /nfs/dbraw/zinc/82/65/71/720826571.db2.gz IZIZALWLZLUTAC-TXPKVOOTSA-N 1 1 458.397 3.908 20 0 JHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742151 720827667 /nfs/dbraw/zinc/82/76/67/720827667.db2.gz PZAGTLHBKGOPBZ-WRWLIDTKSA-N 1 1 458.397 3.908 20 0 JHADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742706 720827710 /nfs/dbraw/zinc/82/77/10/720827710.db2.gz QREMNOGPRSJZEL-JBYIUTFZSA-N 1 1 452.990 3.868 20 0 JHADMO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164740795 720828385 /nfs/dbraw/zinc/82/83/85/720828385.db2.gz LGOBLCAGLNEUFZ-TXPKVOOTSA-N 1 1 458.397 3.908 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742526 720834028 /nfs/dbraw/zinc/83/40/28/720834028.db2.gz HGEZKHOBRSNOHF-BRWVUGGUSA-N 1 1 469.005 3.973 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751916 720843730 /nfs/dbraw/zinc/84/37/30/720843730.db2.gz ZNMFJUMURRBEPS-GPMSIDNRSA-N 1 1 469.005 3.973 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743897 720848414 /nfs/dbraw/zinc/84/84/14/720848414.db2.gz JWBVZMFGNZSOFX-PWRODBHTSA-N 1 1 472.622 3.724 20 0 JHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc(SCc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747614 720854784 /nfs/dbraw/zinc/85/47/84/720854784.db2.gz IHYGTNVISIRIDV-XPWALMASSA-N 1 1 461.639 3.740 20 0 JHADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(C)n2)cc1 ZINC001164746024 720855381 /nfs/dbraw/zinc/85/53/81/720855381.db2.gz FHKRGRHOAFKSOS-AWRGLXIESA-N 1 1 475.597 3.557 20 0 JHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753070 720857695 /nfs/dbraw/zinc/85/76/95/720857695.db2.gz WCIQBVXXJTVPBX-FUPPJEDESA-N 1 1 461.639 3.740 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164851523 720859452 /nfs/dbraw/zinc/85/94/52/720859452.db2.gz ALMZGPUKYNJAQV-DYVFJYSZSA-N 1 1 461.340 3.655 20 0 JHADMO Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1 ZINC001164748240 720860583 /nfs/dbraw/zinc/86/05/83/720860583.db2.gz LGOCBVSEDDODHA-XYJFISCASA-N 1 1 471.820 3.669 20 0 JHADMO COC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754459 720870610 /nfs/dbraw/zinc/87/06/10/720870610.db2.gz RUCUFLUMZWNRBY-NLFFAJNJSA-N 1 1 471.001 3.672 20 0 JHADMO COC(=O)c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747976 720873391 /nfs/dbraw/zinc/87/33/91/720873391.db2.gz DADZZEFSMCDXMO-NBGIEHNGSA-N 1 1 471.001 3.672 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164857387 720876429 /nfs/dbraw/zinc/87/64/29/720876429.db2.gz JHVQIFBHZPGUFY-WMZOPIPTSA-N 1 1 462.685 3.607 20 0 JHADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750128 720878060 /nfs/dbraw/zinc/87/80/60/720878060.db2.gz IYCMKNNFQUNBDG-RBBKRZOGSA-N 1 1 463.960 3.825 20 0 JHADMO COc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747919 720878666 /nfs/dbraw/zinc/87/86/66/720878666.db2.gz CIMNZLBGXOIVQO-AMGIVPHBSA-N 1 1 459.594 3.789 20 0 JHADMO COc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747922 720878772 /nfs/dbraw/zinc/87/87/72/720878772.db2.gz CIMNZLBGXOIVQO-CUNXSJBXSA-N 1 1 459.594 3.789 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164865192 720884142 /nfs/dbraw/zinc/88/41/42/720884142.db2.gz YOWCOLQMQWLWOO-IFMALSPDSA-N 1 1 481.666 3.593 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]2C1 ZINC001164863725 720884607 /nfs/dbraw/zinc/88/46/07/720884607.db2.gz UBADERKKVLIVRB-XLIONFOSSA-N 1 1 452.933 3.515 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@H]2C1 ZINC001164858546 720884651 /nfs/dbraw/zinc/88/46/51/720884651.db2.gz LBWIQTJFCCFXKT-PXNSSMCTSA-N 1 1 452.933 3.515 20 0 JHADMO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2[nH]1 ZINC001164756907 720885118 /nfs/dbraw/zinc/88/51/18/720885118.db2.gz SCJZELSXVHCDES-QDPGVEIFSA-N 1 1 489.620 3.890 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2[nH]cnc2n1 ZINC001164756576 720886483 /nfs/dbraw/zinc/88/64/83/720886483.db2.gz QNJIECVAOKENLG-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2nc[nH]c2n1 ZINC001164756576 720886485 /nfs/dbraw/zinc/88/64/85/720886485.db2.gz QNJIECVAOKENLG-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2nc[nH]c2n1 ZINC001164756576 720886489 /nfs/dbraw/zinc/88/64/89/720886489.db2.gz QNJIECVAOKENLG-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc(OC)c4)nnc3Cl)CC[C@@H]2C1 ZINC001164855559 720891587 /nfs/dbraw/zinc/89/15/87/720891587.db2.gz HIHLOLPCTRXOTK-DYESRHJHSA-N 1 1 482.959 3.524 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@@H]2C1 ZINC001164860891 720892259 /nfs/dbraw/zinc/89/22/59/720892259.db2.gz VVYGCRFTCCSCGB-OXQOHEQNSA-N 1 1 470.923 3.655 20 0 JHADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164750503 720892456 /nfs/dbraw/zinc/89/24/56/720892456.db2.gz BICJBGLVZUOINE-YIXXDRMTSA-N 1 1 459.594 3.789 20 0 JHADMO FC(F)(c1nccnc1Cl)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756873 720903604 /nfs/dbraw/zinc/90/36/04/720903604.db2.gz RUAIARRMTWCNEE-DENIHFKCSA-N 1 1 463.960 3.825 20 0 JHADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746467 720904990 /nfs/dbraw/zinc/90/49/90/720904990.db2.gz ANRIOFCAQWOLNO-AUSIDOKSSA-N 1 1 493.986 3.834 20 0 JHADMO S=c1nc2[nH]cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c-2s1 ZINC001164750658 720905231 /nfs/dbraw/zinc/90/52/31/720905231.db2.gz JXYXOTNDWDKIQG-WZONZLPQSA-N 1 1 468.652 3.525 20 0 JHADMO S=c1nc2[nH]cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c-2s1 ZINC001164750658 720905236 /nfs/dbraw/zinc/90/52/36/720905236.db2.gz JXYXOTNDWDKIQG-WZONZLPQSA-N 1 1 468.652 3.525 20 0 JHADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747446 720910311 /nfs/dbraw/zinc/91/03/11/720910311.db2.gz DFTXSBOPXRQKRG-NFBKMPQASA-N 1 1 493.986 3.747 20 0 JHADMO CC(C)COc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748014 720913730 /nfs/dbraw/zinc/91/37/30/720913730.db2.gz FBCWIDBMTKACLB-ZEQKJWHPSA-N 1 1 451.615 3.662 20 0 JHADMO C[C@@H]1CCCN(c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)C1 ZINC001164747956 720925065 /nfs/dbraw/zinc/92/50/65/720925065.db2.gz FABFDQSCWTXGME-MDQGVCTMSA-N 1 1 476.669 3.863 20 0 JHADMO c1nc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1-c1ccccc1 ZINC001164752039 720926835 /nfs/dbraw/zinc/92/68/35/720926835.db2.gz MSCHBYHYPJFOFK-GIGWZHCTSA-N 1 1 495.631 3.966 20 0 JHADMO CC(C)OC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748593 720931184 /nfs/dbraw/zinc/93/11/84/720931184.db2.gz HETDFHUGEWGEEA-HOFKKMOUSA-N 1 1 464.610 3.797 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)c2c1C ZINC001164764180 721008506 /nfs/dbraw/zinc/00/85/06/721008506.db2.gz YPHJBPVOIYFAMV-NJYVYQBISA-N 1 1 465.623 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1 ZINC001164860334 721030203 /nfs/dbraw/zinc/03/02/03/721030203.db2.gz LHKSVKXLUVMWBY-ZKGSSEMHSA-N 1 1 454.659 3.976 20 0 JHADMO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164766952 721051916 /nfs/dbraw/zinc/05/19/16/721051916.db2.gz GIFZHECPQVHDHX-FTJBHMTQSA-N 1 1 453.590 3.723 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866731 721093492 /nfs/dbraw/zinc/09/34/92/721093492.db2.gz UTIFWRBACSDQGB-LEWJYISDSA-N 1 1 451.958 3.584 20 0 JHADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877688 721148663 /nfs/dbraw/zinc/14/86/63/721148663.db2.gz PPWDAUSSQGLISE-SJORKVTESA-N 1 1 461.900 3.810 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164880709 721156008 /nfs/dbraw/zinc/15/60/08/721156008.db2.gz XFEDEBCKLRRHHK-WMZOPIPTSA-N 1 1 475.927 3.711 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164880707 721156577 /nfs/dbraw/zinc/15/65/77/721156577.db2.gz XFEDEBCKLRRHHK-FUHWJXTLSA-N 1 1 475.927 3.711 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767726 721201654 /nfs/dbraw/zinc/20/16/54/721201654.db2.gz KLAOHWGGUXNRLB-SFTDATJTSA-N 1 1 491.709 3.858 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@H]3C2)cn1 ZINC001164771425 721201679 /nfs/dbraw/zinc/20/16/79/721201679.db2.gz POZJAIDFZLKYCX-WOJBJXKFSA-N 1 1 450.974 3.679 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767677 721226882 /nfs/dbraw/zinc/22/68/82/721226882.db2.gz KJAXZQJDJPOQQL-ZEQRLZLVSA-N 1 1 457.626 3.826 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873116 721305105 /nfs/dbraw/zinc/30/51/05/721305105.db2.gz AJXURTNICUIJND-JBXUNAHCSA-N 1 1 463.626 3.571 20 0 JHADMO O=C1NC[C@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164880186 721317104 /nfs/dbraw/zinc/31/71/04/721317104.db2.gz WGHYYKJAIGCJIN-XMMPIXPASA-N 1 1 453.590 3.535 20 0 JHADMO O=C1NC[C@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164880186 721317109 /nfs/dbraw/zinc/31/71/09/721317109.db2.gz WGHYYKJAIGCJIN-XMMPIXPASA-N 1 1 453.590 3.535 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(OCc4ccccc4)n3)C2)C1 ZINC001164777847 721340756 /nfs/dbraw/zinc/34/07/56/721340756.db2.gz IUGVPGRBVPCUTK-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(OCc4ccccc4)n3)C2)C1 ZINC001164777847 721340759 /nfs/dbraw/zinc/34/07/59/721340759.db2.gz IUGVPGRBVPCUTK-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777214 721349318 /nfs/dbraw/zinc/34/93/18/721349318.db2.gz FCIBUFUADBELJR-DEOSSOPVSA-N 1 1 477.005 3.944 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777214 721349321 /nfs/dbraw/zinc/34/93/21/721349321.db2.gz FCIBUFUADBELJR-DEOSSOPVSA-N 1 1 477.005 3.944 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c2c1C ZINC001164888460 721351084 /nfs/dbraw/zinc/35/10/84/721351084.db2.gz XBIDWCVNBSFMDZ-FCHUYYIVSA-N 1 1 491.661 3.881 20 0 JHADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc(C)c2c1 ZINC001164780234 721354738 /nfs/dbraw/zinc/35/47/38/721354738.db2.gz DJUHQZTYOVQRCK-VWLOTQADSA-N 1 1 451.571 3.671 20 0 JHADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc(C)c2c1 ZINC001164780234 721354744 /nfs/dbraw/zinc/35/47/44/721354744.db2.gz DJUHQZTYOVQRCK-VWLOTQADSA-N 1 1 451.571 3.671 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164780818 721356488 /nfs/dbraw/zinc/35/64/88/721356488.db2.gz HWIGHVASILEEGK-QFIPXVFZSA-N 1 1 492.958 3.947 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C2)C1 ZINC001164780818 721356492 /nfs/dbraw/zinc/35/64/92/721356492.db2.gz HWIGHVASILEEGK-QFIPXVFZSA-N 1 1 492.958 3.947 20 0 JHADMO COC(=O)C[C@@H](c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781304 721364030 /nfs/dbraw/zinc/36/40/30/721364030.db2.gz ISAXMUCNQBKOJD-KCWPFWIISA-N 1 1 482.625 3.862 20 0 JHADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c(C)nc2c1 ZINC001164782310 721368452 /nfs/dbraw/zinc/36/84/52/721368452.db2.gz MWLDGNLLGZFPON-VWLOTQADSA-N 1 1 451.571 3.671 20 0 JHADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c(C)nc2c1 ZINC001164782310 721368456 /nfs/dbraw/zinc/36/84/56/721368456.db2.gz MWLDGNLLGZFPON-VWLOTQADSA-N 1 1 451.571 3.671 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)O2)CC1 ZINC001164894647 721394799 /nfs/dbraw/zinc/39/47/99/721394799.db2.gz ZQQHZOCSPFXXLW-MGPUTAFESA-N 1 1 472.005 3.655 20 0 JHADMO CSc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)ncn2)cc1 ZINC001164890721 721427793 /nfs/dbraw/zinc/42/77/93/721427793.db2.gz DOZLWBZKGPRFRC-OFVILXPXSA-N 1 1 469.655 3.756 20 0 JHADMO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O4)n1)CCCC3 ZINC001164894959 721432282 /nfs/dbraw/zinc/43/22/82/721432282.db2.gz NUSQGIWZTQTSPJ-UQBPGWFLSA-N 1 1 455.672 3.644 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164893027 721433028 /nfs/dbraw/zinc/43/30/28/721433028.db2.gz ISTNTFFRSXBEQS-SIBVEZHUSA-N 1 1 487.044 3.830 20 0 JHADMO 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C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885557 721453519 /nfs/dbraw/zinc/45/35/19/721453519.db2.gz FOEJZIVMXTZQOR-HTAPYJJXSA-N 1 1 454.993 3.534 20 0 JHADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164887890 721453813 /nfs/dbraw/zinc/45/38/13/721453813.db2.gz KWINDWHNSVGYSE-HOYKHHGWSA-N 1 1 462.997 3.801 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164789857 721457812 /nfs/dbraw/zinc/45/78/12/721457812.db2.gz XUTVCNPEIISMBP-HSZRJFAPSA-N 1 1 467.610 3.755 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164786886 721460327 /nfs/dbraw/zinc/46/03/27/721460327.db2.gz QFEYGGWNAREACR-KRWDZBQOSA-N 1 1 458.981 3.596 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789221 721462034 /nfs/dbraw/zinc/46/20/34/721462034.db2.gz VWHMZYWEPFLNAP-NRFANRHFSA-N 1 1 454.615 3.681 20 0 JHADMO 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Cc1cccc(-c2cc(C(F)(F)N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c(Cl)nn2)c1 ZINC001165003628 722240439 /nfs/dbraw/zinc/24/04/39/722240439.db2.gz LDLMWXYIMMGBIL-UHFFFAOYSA-N 1 1 499.997 3.797 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccsc2)CC[N@H+]1CCOC ZINC001306622729 1069312984 /nfs/dbraw/zinc/31/29/84/1069312984.db2.gz DBDRSSLLZFQHIR-SQJMNOBHSA-N 1 1 484.670 3.555 20 0 JHADMO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1S(=O)(=O)N(C)C ZINC001311279479 1069314659 /nfs/dbraw/zinc/31/46/59/1069314659.db2.gz OJGOBNHALXZKSW-OXQOHEQNSA-N 1 1 450.630 3.511 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)c2ccccc2)CC[N@H+]1CCOC ZINC001306624131 1069317365 /nfs/dbraw/zinc/31/73/65/1069317365.db2.gz IFHXLJQFDOPPGC-TZIWHRDSSA-N 1 1 463.573 3.511 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001306624446 1069317941 /nfs/dbraw/zinc/31/79/41/1069317941.db2.gz KDAHQCLDXQTXOD-QTEQDKRBSA-N 1 1 451.681 3.743 20 0 JHADMO COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC001311292810 1069318409 /nfs/dbraw/zinc/31/84/09/1069318409.db2.gz UTGQHLXKSOMNNM-KNQAVFIVSA-N 1 1 450.583 3.644 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC[N@H+]1CCOC ZINC001306624892 1069318475 /nfs/dbraw/zinc/31/84/75/1069318475.db2.gz MVXVSCWNZLCASL-VXKWHMMOSA-N 1 1 490.693 3.740 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306625660 1069320207 /nfs/dbraw/zinc/32/02/07/1069320207.db2.gz SFCMPTAXRGXMSA-VQTJNVASSA-N 1 1 462.664 3.578 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001306626901 1069323234 /nfs/dbraw/zinc/32/32/34/1069323234.db2.gz NYRDXSRZADIOBF-QHCPKHFHSA-N 1 1 475.081 3.555 20 0 JHADMO O=C(Nc1ccc(N2C(=O)CCC2=O)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311321790 1069323614 /nfs/dbraw/zinc/32/36/14/1069323614.db2.gz ZJHIJCRLTUPMBG-RTBURBONSA-N 1 1 460.456 3.524 20 0 JHADMO 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CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3COc3ccc(F)cc3)cc2)CC1 ZINC001311357559 1069341460 /nfs/dbraw/zinc/34/14/60/1069341460.db2.gz JFVJSRACCBNMFY-DEOSSOPVSA-N 1 1 454.590 3.716 20 0 JHADMO CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001306639133 1069349055 /nfs/dbraw/zinc/34/90/55/1069349055.db2.gz OVNCCGCYYMZISJ-HXUWFJFHSA-N 1 1 454.619 3.596 20 0 JHADMO CCN(OC)C(=O)CNC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001311373427 1069349082 /nfs/dbraw/zinc/34/90/82/1069349082.db2.gz KREYKLPUWGYJGK-NRFANRHFSA-N 1 1 458.628 3.680 20 0 JHADMO CCN(OC)C(=O)CNC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001311373427 1069349097 /nfs/dbraw/zinc/34/90/97/1069349097.db2.gz KREYKLPUWGYJGK-NRFANRHFSA-N 1 1 458.628 3.680 20 0 JHADMO C[C@@H](CNC(=O)NC1(c2ccc(Br)cc2)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311378268 1069351963 /nfs/dbraw/zinc/35/19/63/1069351963.db2.gz ZRRJHMQWNGNHRE-SFHVURJKSA-N 1 1 457.416 3.948 20 0 JHADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001311395416 1069360565 /nfs/dbraw/zinc/36/05/65/1069360565.db2.gz KAUCNDZBGWOPCR-REHUZNOOSA-N 1 1 453.631 3.894 20 0 JHADMO CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306650945 1069362444 /nfs/dbraw/zinc/36/24/44/1069362444.db2.gz ZMDPARBBQSXBIT-NRFANRHFSA-N 1 1 490.643 3.569 20 0 JHADMO CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306654239 1069365824 /nfs/dbraw/zinc/36/58/24/1069365824.db2.gz HMXPESLSWJXCPI-DHLKQENFSA-N 1 1 466.674 3.632 20 0 JHADMO CCCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c(C)n1 ZINC001306657344 1069371090 /nfs/dbraw/zinc/37/10/90/1069371090.db2.gz IZYUHZXEJYUCJS-FQEVSTJZSA-N 1 1 450.635 3.538 20 0 JHADMO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001311424169 1069372525 /nfs/dbraw/zinc/37/25/25/1069372525.db2.gz PYMDNIIPXUPSES-ATIYNZHBSA-N 1 1 452.643 3.894 20 0 JHADMO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001311424169 1069372533 /nfs/dbraw/zinc/37/25/33/1069372533.db2.gz PYMDNIIPXUPSES-ATIYNZHBSA-N 1 1 452.643 3.894 20 0 JHADMO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001311424169 1069372541 /nfs/dbraw/zinc/37/25/41/1069372541.db2.gz PYMDNIIPXUPSES-ATIYNZHBSA-N 1 1 452.643 3.894 20 0 JHADMO 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 1069376955 /nfs/dbraw/zinc/37/69/55/1069376955.db2.gz FGOLVCJVLOQOAF-ALQKUKDOSA-N 1 1 451.652 3.713 20 0 JHADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC[C@@H](O)Cc1cccc(F)c1 ZINC001311436124 1069378548 /nfs/dbraw/zinc/37/85/48/1069378548.db2.gz LNFKLLYSQOPNHY-GOTSBHOMSA-N 1 1 453.583 3.889 20 0 JHADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC[C@@H](O)Cc1cccc(F)c1 ZINC001311436124 1069378556 /nfs/dbraw/zinc/37/85/56/1069378556.db2.gz LNFKLLYSQOPNHY-GOTSBHOMSA-N 1 1 453.583 3.889 20 0 JHADMO 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 1069389400 /nfs/dbraw/zinc/38/94/00/1069389400.db2.gz JXSHCJQWNNPCBY-BULFRSBZSA-N 1 1 460.594 3.702 20 0 JHADMO CC(=O)Nc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC001311467272 1069392069 /nfs/dbraw/zinc/39/20/69/1069392069.db2.gz ZPCQATKWWIZXJW-UHFFFAOYSA-N 1 1 459.388 3.871 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001306665944 1069393277 /nfs/dbraw/zinc/39/32/77/1069393277.db2.gz QXZBSOIAJSERCT-GGAORHGYSA-N 1 1 474.694 3.727 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001306666692 1069395152 /nfs/dbraw/zinc/39/51/52/1069395152.db2.gz ZRJJSHVRFVJGCJ-GOTSBHOMSA-N 1 1 474.694 3.521 20 0 JHADMO Cc1ccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)S(C)(=O)=O)cc1 ZINC001311481955 1069398191 /nfs/dbraw/zinc/39/81/91/1069398191.db2.gz NXRVZJFDTLWKAF-RDPSFJRHSA-N 1 1 457.640 3.741 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001306678951 1069403647 /nfs/dbraw/zinc/40/36/47/1069403647.db2.gz GYESTQJOFBZBGV-UHFFFAOYSA-N 1 1 498.429 3.940 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 ZINC001306678409 1069403083 /nfs/dbraw/zinc/40/30/83/1069403083.db2.gz AZOYVOOYWNUDIO-XMMPIXPASA-N 1 1 487.714 3.680 20 0 JHADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 ZINC001311493038 1069404218 /nfs/dbraw/zinc/40/42/18/1069404218.db2.gz IMXSRKGNWNLVJI-NHZRIVAWSA-N 1 1 457.615 3.561 20 0 JHADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(OCCO)CCC(F)(F)CC3)cc2)C1 ZINC001311494521 1069404962 /nfs/dbraw/zinc/40/49/62/1069404962.db2.gz DZRRWXJZHJKTJQ-LJQANCHMSA-N 1 1 453.574 3.675 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001306679868 1069406006 /nfs/dbraw/zinc/40/60/06/1069406006.db2.gz LQSNDKWUUGNRKI-UHFFFAOYSA-N 1 1 490.656 3.601 20 0 JHADMO COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001311499051 1069408480 /nfs/dbraw/zinc/40/84/80/1069408480.db2.gz UFUYEUAYUOJMRA-DVECYGJZSA-N 1 1 450.583 3.920 20 0 JHADMO CCc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)C2)ncn1 ZINC001311496588 1069406246 /nfs/dbraw/zinc/40/62/46/1069406246.db2.gz XAEURSCATKKVEK-GBXCKJPGSA-N 1 1 450.631 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001306680221 1069407184 /nfs/dbraw/zinc/40/71/84/1069407184.db2.gz BIWZFKPBFPJDEE-RBUKOAKNSA-N 1 1 477.053 3.860 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001306681824 1069412053 /nfs/dbraw/zinc/41/20/53/1069412053.db2.gz VEDRNJDSPPKDTF-RTBURBONSA-N 1 1 475.707 3.903 20 0 JHADMO COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001311499052 1069408498 /nfs/dbraw/zinc/40/84/98/1069408498.db2.gz UFUYEUAYUOJMRA-NTKDMRAZSA-N 1 1 450.583 3.920 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306680811 1069408547 /nfs/dbraw/zinc/40/85/47/1069408547.db2.gz GNBLGJOHUSTEOL-GOSISDBHSA-N 1 1 491.036 3.882 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001306680920 1069409163 /nfs/dbraw/zinc/40/91/63/1069409163.db2.gz WGWQMCZHAZUMRK-TZIWHRDSSA-N 1 1 478.682 3.644 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306682049 1069412680 /nfs/dbraw/zinc/41/26/80/1069412680.db2.gz APPWKEHWJIIEEH-QFIPXVFZSA-N 1 1 461.676 3.643 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSC(C)(C)C1 ZINC001306681369 1069409784 /nfs/dbraw/zinc/40/97/84/1069409784.db2.gz KYDALYLCKPYZEV-UHFFFAOYSA-N 1 1 493.747 3.610 20 0 JHADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001311511767 1069417124 /nfs/dbraw/zinc/41/71/24/1069417124.db2.gz SXDGCUFVLJGHIP-KRXUUXHPSA-N 1 1 459.631 3.641 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001306683478 1069417175 /nfs/dbraw/zinc/41/71/75/1069417175.db2.gz YTCXQFVUTVVADF-UHFFFAOYSA-N 1 1 455.588 3.925 20 0 JHADMO CC[C@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311506967 1069413535 /nfs/dbraw/zinc/41/35/35/1069413535.db2.gz YITJXJHVWVULSU-WIOPSUGQSA-N 1 1 455.599 3.961 20 0 JHADMO CC[C@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311506967 1069413539 /nfs/dbraw/zinc/41/35/39/1069413539.db2.gz YITJXJHVWVULSU-WIOPSUGQSA-N 1 1 455.599 3.961 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306682804 1069415144 /nfs/dbraw/zinc/41/51/44/1069415144.db2.gz LHBMVVPZJSZAGK-UHFFFAOYSA-N 1 1 463.630 3.530 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001306683227 1069415944 /nfs/dbraw/zinc/41/59/44/1069415944.db2.gz PLFGZNJCDOIMSR-NRFANRHFSA-N 1 1 469.609 3.535 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001306684652 1069419351 /nfs/dbraw/zinc/41/93/51/1069419351.db2.gz RESMODBGTDZQCK-UHFFFAOYSA-N 1 1 462.598 3.877 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001306686131 1069422080 /nfs/dbraw/zinc/42/20/80/1069422080.db2.gz RMHDVFKRIPIJRY-HXUWFJFHSA-N 1 1 478.682 3.945 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306687235 1069423978 /nfs/dbraw/zinc/42/39/78/1069423978.db2.gz HSKQTZUZOGBQHK-UHFFFAOYSA-N 1 1 472.987 3.939 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306687168 1069424064 /nfs/dbraw/zinc/42/40/64/1069424064.db2.gz ZMKDLYOVOGINLR-NRFANRHFSA-N 1 1 496.578 3.597 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001306687449 1069424132 /nfs/dbraw/zinc/42/41/32/1069424132.db2.gz HYOPDHLACWGORN-HSZRJFAPSA-N 1 1 468.646 3.569 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001306687834 1069424489 /nfs/dbraw/zinc/42/44/89/1069424489.db2.gz LJNNFKPJBHDKGC-UHFFFAOYSA-N 1 1 466.655 3.824 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306687794 1069424637 /nfs/dbraw/zinc/42/46/37/1069424637.db2.gz KJKGJAUPGGABSE-PXNSSMCTSA-N 1 1 491.706 3.715 20 0 JHADMO CCCCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001306688764 1069425894 /nfs/dbraw/zinc/42/58/94/1069425894.db2.gz VYDDWOPCFNSDPX-UHFFFAOYSA-N 1 1 453.616 3.672 20 0 JHADMO CCCCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCc2sccc2C1 ZINC001306688764 1069425906 /nfs/dbraw/zinc/42/59/06/1069425906.db2.gz VYDDWOPCFNSDPX-UHFFFAOYSA-N 1 1 453.616 3.672 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536591 1069428950 /nfs/dbraw/zinc/42/89/50/1069428950.db2.gz XNKZYBFEGKHDSB-RTWAWAEBSA-N 1 1 458.569 3.744 20 0 JHADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001311537594 1069429681 /nfs/dbraw/zinc/42/96/81/1069429681.db2.gz URWKIHZUQCXHCU-QHCPKHFHSA-N 1 1 454.594 3.749 20 0 JHADMO CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306698510 1069434194 /nfs/dbraw/zinc/43/41/94/1069434194.db2.gz GFSFPNFCHZIIEC-UHFFFAOYSA-N 1 1 481.689 3.942 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000751095223 1069443257 /nfs/dbraw/zinc/44/32/57/1069443257.db2.gz JUIUCXGHCFEKQQ-XMSQKQJNSA-N 1 1 455.521 3.957 20 0 JHADMO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1Cl ZINC001311581971 1069449384 /nfs/dbraw/zinc/44/93/84/1069449384.db2.gz KGLMOKMQYQKQQB-WIYYLYMNSA-N 1 1 451.398 3.801 20 0 JHADMO COc1cc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(Br)cc1O ZINC001311581983 1069449537 /nfs/dbraw/zinc/44/95/37/1069449537.db2.gz KONKCRQTGFRJTN-MRXNPFEDSA-N 1 1 456.768 3.919 20 0 JHADMO O=C(N[C@H](CN1CCOCC1)c1ccccc1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311592456 1069454263 /nfs/dbraw/zinc/45/42/63/1069454263.db2.gz FFNWASQBRJGBPG-CLJLJLNGSA-N 1 1 450.627 3.804 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 ZINC001306720861 1069456181 /nfs/dbraw/zinc/45/61/81/1069456181.db2.gz OCICOBVCKQWHFR-QFIPXVFZSA-N 1 1 456.610 3.773 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001306721602 1069458507 /nfs/dbraw/zinc/45/85/07/1069458507.db2.gz CKDDNDMIPAWALY-QGZVFWFLSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306721961 1069459136 /nfs/dbraw/zinc/45/91/36/1069459136.db2.gz DFEBUXKNLXITAA-QFQXNSOFSA-N 1 1 452.647 3.871 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001306722453 1069460294 /nfs/dbraw/zinc/46/02/94/1069460294.db2.gz LNZMWAUZRGDKGZ-GHTZIAJQSA-N 1 1 459.038 3.920 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306722507 1069460552 /nfs/dbraw/zinc/46/05/52/1069460552.db2.gz IIIDAHKOWDYENV-HSZRJFAPSA-N 1 1 478.645 3.717 20 0 JHADMO CC[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608802 1069460813 /nfs/dbraw/zinc/46/08/13/1069460813.db2.gz WWORHOODPZPGCR-GGAORHGYSA-N 1 1 456.631 3.512 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306722717 1069461099 /nfs/dbraw/zinc/46/10/99/1069461099.db2.gz KIIHCCGSJZMONG-HSZRJFAPSA-N 1 1 482.673 3.961 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306725222 1069466506 /nfs/dbraw/zinc/46/65/06/1069466506.db2.gz BFFULBMTVLFIAZ-HSZRJFAPSA-N 1 1 497.688 3.976 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306727056 1069471199 /nfs/dbraw/zinc/47/11/99/1069471199.db2.gz CCBMSAQFFZHQHM-HXUWFJFHSA-N 1 1 480.657 3.963 20 0 JHADMO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CC1 ZINC001311618063 1069469505 /nfs/dbraw/zinc/46/95/05/1069469505.db2.gz SXEWIAIIFUDHGC-OALUTQOASA-N 1 1 472.527 3.635 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001306726574 1069469938 /nfs/dbraw/zinc/46/99/38/1069469938.db2.gz DVOIKVUMWFVEMG-WSTZPKSXSA-N 1 1 456.635 3.850 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001306726485 1069470024 /nfs/dbraw/zinc/47/00/24/1069470024.db2.gz NELVPXUARWADAJ-CTNGQTDRSA-N 1 1 495.640 3.749 20 0 JHADMO O=C(NCc1cc(F)ccc1Br)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001311619913 1069470539 /nfs/dbraw/zinc/47/05/39/1069470539.db2.gz JMFZWZUTQJBLCF-IBGZPJMESA-N 1 1 450.352 3.679 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729558 1069478755 /nfs/dbraw/zinc/47/87/55/1069478755.db2.gz KZLDAGXWVZAIGX-FGZHOGPDSA-N 1 1 490.693 3.615 20 0 JHADMO COc1cccc(CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1OC ZINC001311631538 1069479388 /nfs/dbraw/zinc/47/93/88/1069479388.db2.gz HNRWDAXTGKDNHI-UHFFFAOYSA-N 1 1 450.539 3.823 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001306730144 1069480656 /nfs/dbraw/zinc/48/06/56/1069480656.db2.gz MXNFEGBRNAUTPN-UPVQGACJSA-N 1 1 488.721 3.944 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001306729268 1069477605 /nfs/dbraw/zinc/47/76/05/1069477605.db2.gz LRZNSRHSBZUTDU-HYBUGGRVSA-N 1 1 454.663 3.996 20 0 JHADMO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC001311636771 1069482925 /nfs/dbraw/zinc/48/29/25/1069482925.db2.gz LYAPNIKPJUGDBS-HRNNMHKYSA-N 1 1 450.627 3.578 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001306731985 1069487924 /nfs/dbraw/zinc/48/79/24/1069487924.db2.gz UDWFESVQFDTHOJ-XMMPIXPASA-N 1 1 466.674 3.777 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306732183 1069488706 /nfs/dbraw/zinc/48/87/06/1069488706.db2.gz VGEHFZIXXUGZDS-OAQYLSRUSA-N 1 1 474.694 3.839 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCSC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306732147 1069488799 /nfs/dbraw/zinc/48/87/99/1069488799.db2.gz VENXWIFRNPVOGP-LGVFNWMJSA-N 1 1 465.708 3.915 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001311651732 1069489141 /nfs/dbraw/zinc/48/91/41/1069489141.db2.gz AFSCIUQIWNBSNH-UHFFFAOYSA-N 1 1 458.497 3.967 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306732959 1069491676 /nfs/dbraw/zinc/49/16/76/1069491676.db2.gz XAIFDTMIIQPNPL-VQTJNVASSA-N 1 1 473.593 3.650 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001306733504 1069493250 /nfs/dbraw/zinc/49/32/50/1069493250.db2.gz ZBHISBWHMDRODX-DNRQZRRGSA-N 1 1 463.667 3.589 20 0 JHADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668350 1069496295 /nfs/dbraw/zinc/49/62/95/1069496295.db2.gz XTNCMRMHHLQKQY-REWPJTCUSA-N 1 1 453.631 3.948 20 0 JHADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668350 1069496297 /nfs/dbraw/zinc/49/62/97/1069496297.db2.gz XTNCMRMHHLQKQY-REWPJTCUSA-N 1 1 453.631 3.948 20 0 JHADMO 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 1069497980 /nfs/dbraw/zinc/49/79/80/1069497980.db2.gz GEGROBPPKJRSEG-HCXYKTFWSA-N 1 1 451.453 3.941 20 0 JHADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311694581 1069507309 /nfs/dbraw/zinc/50/73/09/1069507309.db2.gz NIAHVRHQSDJHFV-YKSBVNFPSA-N 1 1 457.640 3.773 20 0 JHADMO CCN(C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[C@H](C)CS(C)(=O)=O ZINC001311716790 1069516805 /nfs/dbraw/zinc/51/68/05/1069516805.db2.gz PNPHWBXHXXDGDX-QAPCUYQASA-N 1 1 451.555 3.553 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001306746494 1069531547 /nfs/dbraw/zinc/53/15/47/1069531547.db2.gz PABIFPDULNMBCU-FYYLOGMGSA-N 1 1 474.694 3.569 20 0 JHADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001311750576 1069532729 /nfs/dbraw/zinc/53/27/29/1069532729.db2.gz ZQAKWAQGLVVQOW-WOJBJXKFSA-N 1 1 454.537 3.531 20 0 JHADMO O=C(NCCCS(=O)(=O)c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001311762961 1069537182 /nfs/dbraw/zinc/53/71/82/1069537182.db2.gz NUPLOLRLEDCIBZ-NOTZXAQLSA-N 1 1 455.624 3.735 20 0 JHADMO CCN(C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311790512 1069546541 /nfs/dbraw/zinc/54/65/41/1069546541.db2.gz DZVXYYIJUYOOJT-KRWDZBQOSA-N 1 1 450.649 3.926 20 0 JHADMO CCN(C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311790512 1069546548 /nfs/dbraw/zinc/54/65/48/1069546548.db2.gz DZVXYYIJUYOOJT-KRWDZBQOSA-N 1 1 450.649 3.926 20 0 JHADMO C[C@H](CNC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[N@@H+]1CCc2sccc2C1 ZINC001311795631 1069548583 /nfs/dbraw/zinc/54/85/83/1069548583.db2.gz VYZGSWXUFNCUFU-CYBMUJFWSA-N 1 1 453.511 3.666 20 0 JHADMO C[C@H](CNC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[N@H+]1CCc2sccc2C1 ZINC001311795631 1069548588 /nfs/dbraw/zinc/54/85/88/1069548588.db2.gz VYZGSWXUFNCUFU-CYBMUJFWSA-N 1 1 453.511 3.666 20 0 JHADMO C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N@H+]1CCc2ccccc2C1 ZINC001311791442 1069547124 /nfs/dbraw/zinc/54/71/24/1069547124.db2.gz JYWVVHIFVNSLLI-FXAWDEMLSA-N 1 1 457.416 3.774 20 0 JHADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804966 1069552803 /nfs/dbraw/zinc/55/28/03/1069552803.db2.gz MRHBHSZHKUHODH-UYAOXDASSA-N 1 1 454.537 3.537 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311837941 1069572729 /nfs/dbraw/zinc/57/27/29/1069572729.db2.gz MSSTXLSRAJOMQQ-QGZVFWFLSA-N 1 1 451.409 3.792 20 0 JHADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001306777908 1069573750 /nfs/dbraw/zinc/57/37/50/1069573750.db2.gz ASHJWLVUINEYTM-SFHVURJKSA-N 1 1 461.680 3.513 20 0 JHADMO CCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306778501 1069573861 /nfs/dbraw/zinc/57/38/61/1069573861.db2.gz QSEBSTGXXBHTHX-UXHICEINSA-N 1 1 464.655 3.697 20 0 JHADMO Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2)cc1 ZINC001311845834 1069576385 /nfs/dbraw/zinc/57/63/85/1069576385.db2.gz BHKNOUKIVUKGFZ-YADHBBJMSA-N 1 1 453.627 3.992 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001306780832 1069578392 /nfs/dbraw/zinc/57/83/92/1069578392.db2.gz QJIHROLQLHQCIL-FQRUVTKNSA-N 1 1 488.677 3.821 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001306783703 1069583691 /nfs/dbraw/zinc/58/36/91/1069583691.db2.gz NXARCLRFYIHBJB-RTBURBONSA-N 1 1 464.561 3.733 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCSC2)C1 ZINC001306783411 1069582494 /nfs/dbraw/zinc/58/24/94/1069582494.db2.gz HDPSOEDDUYDNDZ-VGSWGCGISA-N 1 1 494.503 3.744 20 0 JHADMO 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 ZINC001306783627 1069582872 /nfs/dbraw/zinc/58/28/72/1069582872.db2.gz MRWBZBTUAZASHM-FHWLQOOXSA-N 1 1 472.600 3.953 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2SCCc3ccccc32)C1 ZINC001306781261 1069579451 /nfs/dbraw/zinc/57/94/51/1069579451.db2.gz DGCQFSYHTCBVKH-DENIHFKCSA-N 1 1 470.687 3.615 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001306783105 1069581601 /nfs/dbraw/zinc/58/16/01/1069581601.db2.gz NDOUGPHJGQRQHL-FQEVSTJZSA-N 1 1 453.635 3.902 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001306783975 1069584103 /nfs/dbraw/zinc/58/41/03/1069584103.db2.gz JFAPVWIFQDYXCH-DNVFCKCGSA-N 1 1 457.619 3.555 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001306784269 1069584908 /nfs/dbraw/zinc/58/49/08/1069584908.db2.gz QJZCMCIRRWRCDU-FYYLOGMGSA-N 1 1 483.661 3.830 20 0 JHADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCCOc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001311860304 1069585393 /nfs/dbraw/zinc/58/53/93/1069585393.db2.gz KKOYCJJCSGABBX-UHFFFAOYSA-N 1 1 451.398 3.619 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001306784760 1069585472 /nfs/dbraw/zinc/58/54/72/1069585472.db2.gz SFFCWYLLQYVUBZ-SFHVURJKSA-N 1 1 494.562 3.629 20 0 JHADMO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001311860874 1069586171 /nfs/dbraw/zinc/58/61/71/1069586171.db2.gz MUUYTEDITTXLTB-UHFFFAOYSA-N 1 1 450.505 3.674 20 0 JHADMO CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccn1 ZINC001311863284 1069586507 /nfs/dbraw/zinc/58/65/07/1069586507.db2.gz YFIQJTMLZIPPMJ-OAQYLSRUSA-N 1 1 453.631 3.642 20 0 JHADMO 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CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001312622297 1070048438 /nfs/dbraw/zinc/04/84/38/1070048438.db2.gz AWBZMSDSCOWORE-TVZXLZGTSA-N 1 1 456.631 3.987 20 0 JHADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001307554735 1070048973 /nfs/dbraw/zinc/04/89/73/1070048973.db2.gz CAFDPBGAHWKXBW-GOSISDBHSA-N 1 1 459.543 3.928 20 0 JHADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001307554735 1070048989 /nfs/dbraw/zinc/04/89/89/1070048989.db2.gz CAFDPBGAHWKXBW-GOSISDBHSA-N 1 1 459.543 3.928 20 0 JHADMO COCCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555017 1070049631 /nfs/dbraw/zinc/04/96/31/1070049631.db2.gz KOMGUYCSTRUNOA-IFMALSPDSA-N 1 1 455.530 3.684 20 0 JHADMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n(-c2ccccc2F)n1 ZINC001307557808 1070051684 /nfs/dbraw/zinc/05/16/84/1070051684.db2.gz JDXVDKUZGUUYHA-QZTJIDSGSA-N 1 1 459.566 3.884 20 0 JHADMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n(-c2ccccc2F)n1 ZINC001307557808 1070051699 /nfs/dbraw/zinc/05/16/99/1070051699.db2.gz JDXVDKUZGUUYHA-QZTJIDSGSA-N 1 1 459.566 3.884 20 0 JHADMO O=C(NCc1ncnn1-c1ccccc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312629101 1070051916 /nfs/dbraw/zinc/05/19/16/1070051916.db2.gz GQVUBHRMKFQXQO-UHFFFAOYSA-N 1 1 458.488 3.704 20 0 JHADMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC001307560251 1070052834 /nfs/dbraw/zinc/05/28/34/1070052834.db2.gz YMVAXIKBQDITCJ-JXFKEZNVSA-N 1 1 457.596 3.623 20 0 JHADMO CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314286531 1070060233 /nfs/dbraw/zinc/06/02/33/1070060233.db2.gz MWOKCKZKOCOQOJ-PKTZIBPZSA-N 1 1 455.647 3.946 20 0 JHADMO 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 1070059120 /nfs/dbraw/zinc/05/91/20/1070059120.db2.gz BBTDCDOTEDNRFC-QPOHIBMRSA-N 1 1 456.052 3.671 20 0 JHADMO CC(C)Oc1ccc(-c2cccc([C@H](C)[N@@H+](C)CCNS(=O)(=O)c3cnn(C)c3)c2)cc1 ZINC001307584006 1070063850 /nfs/dbraw/zinc/06/38/50/1070063850.db2.gz OWLSSMYUGONOIY-IBGZPJMESA-N 1 1 456.612 3.846 20 0 JHADMO O=C(C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)N1CCN(Cc2ccsc2)CC1 ZINC001307587306 1070065728 /nfs/dbraw/zinc/06/57/28/1070065728.db2.gz KXPYNHGGLZRKGW-HSZRJFAPSA-N 1 1 455.649 3.690 20 0 JHADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)N1CCN(Cc2ccsc2)CC1 ZINC001307587306 1070065750 /nfs/dbraw/zinc/06/57/50/1070065750.db2.gz KXPYNHGGLZRKGW-HSZRJFAPSA-N 1 1 455.649 3.690 20 0 JHADMO Cc1cc(CNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc(N2CCCC2)[nH+]1 ZINC001312650706 1070062731 /nfs/dbraw/zinc/06/27/31/1070062731.db2.gz JEHPXEURLVNKGB-GOSISDBHSA-N 1 1 455.990 3.935 20 0 JHADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC001307581116 1070062788 /nfs/dbraw/zinc/06/27/88/1070062788.db2.gz KIZMRSYCZCMKPT-MRXNPFEDSA-N 1 1 458.609 3.706 20 0 JHADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC001307581116 1070062803 /nfs/dbraw/zinc/06/28/03/1070062803.db2.gz KIZMRSYCZCMKPT-MRXNPFEDSA-N 1 1 458.609 3.706 20 0 JHADMO COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC001307589504 1070068492 /nfs/dbraw/zinc/06/84/92/1070068492.db2.gz VMQJBGVSPZIPTQ-UHFFFAOYSA-N 1 1 455.946 3.549 20 0 JHADMO CCOCc1ccc(Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC001314293932 1070076070 /nfs/dbraw/zinc/07/60/70/1070076070.db2.gz OJLWBQPLZNPYNG-UHFFFAOYSA-N 1 1 496.700 3.757 20 0 JHADMO O=C1[C@H]([NH+]2CCC(CCCN3CCOCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307603001 1070076807 /nfs/dbraw/zinc/07/68/07/1070076807.db2.gz LKWDAXXCJVYOCQ-JOCHJYFZSA-N 1 1 451.558 3.608 20 0 JHADMO COCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684037 1070081235 /nfs/dbraw/zinc/08/12/35/1070081235.db2.gz YAQNGENTCYIWEW-WIYYLYMNSA-N 1 1 457.446 3.881 20 0 JHADMO CCOCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001314299791 1070083774 /nfs/dbraw/zinc/08/37/74/1070083774.db2.gz XHYPZXIGUNXRQQ-NRFANRHFSA-N 1 1 454.619 3.523 20 0 JHADMO CCOCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001314302702 1070088064 /nfs/dbraw/zinc/08/80/64/1070088064.db2.gz WGECMFVPDAIOCP-CQSZACIVSA-N 1 1 465.421 3.734 20 0 JHADMO CCn1c(C[NH2+][C@@H](COC)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001307642728 1070097738 /nfs/dbraw/zinc/09/77/38/1070097738.db2.gz JHDAOOYMRBCDPW-QFIPXVFZSA-N 1 1 456.612 3.708 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647234 1070100043 /nfs/dbraw/zinc/10/00/43/1070100043.db2.gz QSSZSGHCGMQNIT-WOJBJXKFSA-N 1 1 456.530 3.669 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647234 1070100056 /nfs/dbraw/zinc/10/00/56/1070100056.db2.gz QSSZSGHCGMQNIT-WOJBJXKFSA-N 1 1 456.530 3.669 20 0 JHADMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001307671819 1070115621 /nfs/dbraw/zinc/11/56/21/1070115621.db2.gz HPIFMVSFQQILHA-YADARESESA-N 1 1 451.596 3.905 20 0 JHADMO CCOCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329207 1070120217 /nfs/dbraw/zinc/12/02/17/1070120217.db2.gz WJVPWWGIBCBKJO-WMZOPIPTSA-N 1 1 478.435 3.501 20 0 JHADMO CCOCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314330138 1070121593 /nfs/dbraw/zinc/12/15/93/1070121593.db2.gz ZEMNBSXUWZAQDK-FUHWJXTLSA-N 1 1 464.010 3.597 20 0 JHADMO C[N@@H+](C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC001307683644 1070123771 /nfs/dbraw/zinc/12/37/71/1070123771.db2.gz DUQXBIGGOZCWQM-OAQYLSRUSA-N 1 1 454.394 3.934 20 0 JHADMO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001314334501 1070128833 /nfs/dbraw/zinc/12/88/33/1070128833.db2.gz QAMSJXFORLTPPJ-FDDCHVKYSA-N 1 1 462.038 3.902 20 0 JHADMO 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 1070131639 /nfs/dbraw/zinc/13/16/39/1070131639.db2.gz SPSHQCKGQHNJAO-BDTNDASRSA-N 1 1 492.709 3.922 20 0 JHADMO O=C1[C@H]([N@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698279 1070134072 /nfs/dbraw/zinc/13/40/72/1070134072.db2.gz CHQIGRGPDRCEGQ-MOPGFXCFSA-N 1 1 458.427 3.987 20 0 JHADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(Cc4ccc(F)c(F)c4)CC3)cc2)CC1 ZINC001307709110 1070138708 /nfs/dbraw/zinc/13/87/08/1070138708.db2.gz BRLDEROUJYOAOB-UHFFFAOYSA-N 1 1 456.581 4.000 20 0 JHADMO C[C@@H]1[C@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001312815777 1070139568 /nfs/dbraw/zinc/13/95/68/1070139568.db2.gz NZXMEMBMJDEPOC-AUSIDOKSSA-N 1 1 455.002 3.861 20 0 JHADMO Cc1occc1C(=O)NC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001312820856 1070142259 /nfs/dbraw/zinc/14/22/59/1070142259.db2.gz GGGUSBXIJMNZAE-QFIPXVFZSA-N 1 1 452.599 3.794 20 0 JHADMO O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001312824028 1070143617 /nfs/dbraw/zinc/14/36/17/1070143617.db2.gz RDGLJJOQIKNFSW-HJOGWXRNSA-N 1 1 458.002 3.839 20 0 JHADMO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001312834943 1070146422 /nfs/dbraw/zinc/14/64/22/1070146422.db2.gz AKTZPRJVCNWUNL-NRFANRHFSA-N 1 1 458.676 3.504 20 0 JHADMO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314344367 1070148917 /nfs/dbraw/zinc/14/89/17/1070148917.db2.gz WKPIIKGJNYVOSL-UXHICEINSA-N 1 1 478.682 3.771 20 0 JHADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001307726806 1070151292 /nfs/dbraw/zinc/15/12/92/1070151292.db2.gz ZEHKAXPKWXZNOQ-MRXNPFEDSA-N 1 1 454.546 3.647 20 0 JHADMO O=C(NC[C@H](CO)Cc1ccco1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841072 1070149941 /nfs/dbraw/zinc/14/99/41/1070149941.db2.gz YTGWYGMOUCWSSZ-DCEDVJGZSA-N 1 1 451.542 3.537 20 0 JHADMO CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001314345492 1070151386 /nfs/dbraw/zinc/15/13/86/1070151386.db2.gz AAQUFLFDXZEGME-UHFFFAOYSA-N 1 1 491.080 3.542 20 0 JHADMO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C)sc(Cl)c1-c1ccccc1 ZINC001307727343 1070152060 /nfs/dbraw/zinc/15/20/60/1070152060.db2.gz SOYDYZQVVUTZFQ-KRWDZBQOSA-N 1 1 451.976 3.544 20 0 JHADMO CCOCc1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001314346988 1070152919 /nfs/dbraw/zinc/15/29/19/1070152919.db2.gz VCWGTBURRHTALL-LJQANCHMSA-N 1 1 464.655 3.525 20 0 JHADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001307729398 1070153943 /nfs/dbraw/zinc/15/39/43/1070153943.db2.gz TWMSJJFJGKBYBE-ICSRJNTNSA-N 1 1 459.587 3.817 20 0 JHADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001307729398 1070153950 /nfs/dbraw/zinc/15/39/50/1070153950.db2.gz TWMSJJFJGKBYBE-ICSRJNTNSA-N 1 1 459.587 3.817 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314348114 1070156674 /nfs/dbraw/zinc/15/66/74/1070156674.db2.gz CJWGIUMITZSFAD-RTWAWAEBSA-N 1 1 456.635 3.686 20 0 JHADMO O=C(NC1CN(C(=O)OCc2ccccc2)C1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001312850477 1070155149 /nfs/dbraw/zinc/15/51/49/1070155149.db2.gz ILZFDQHCSLYELL-HSZRJFAPSA-N 1 1 450.583 3.751 20 0 JHADMO O=C1[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CCN1c1cccc(Br)c1 ZINC001307740302 1070160232 /nfs/dbraw/zinc/16/02/32/1070160232.db2.gz DVMDEFFBZWHKFV-CVEARBPZSA-N 1 1 459.262 3.776 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001312884388 1070166411 /nfs/dbraw/zinc/16/64/11/1070166411.db2.gz GAVGGTCDUQOAKF-QLBJFCOMSA-N 1 1 453.627 3.854 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314351285 1070170320 /nfs/dbraw/zinc/17/03/20/1070170320.db2.gz BMOAAFTZVDUPFE-OALUTQOASA-N 1 1 460.598 3.517 20 0 JHADMO C[C@@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC001312907612 1070175406 /nfs/dbraw/zinc/17/54/06/1070175406.db2.gz YBJGLHFGNIDUBX-MAODMQOUSA-N 1 1 475.515 3.639 20 0 JHADMO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC001312907612 1070175414 /nfs/dbraw/zinc/17/54/14/1070175414.db2.gz YBJGLHFGNIDUBX-MAODMQOUSA-N 1 1 475.515 3.639 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773096 1070177781 /nfs/dbraw/zinc/17/77/81/1070177781.db2.gz KMSJDGFPMDBBJZ-SFTDATJTSA-N 1 1 451.652 3.811 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC001307772859 1070177099 /nfs/dbraw/zinc/17/70/99/1070177099.db2.gz JLMJYMSGFYTVMO-RBUKOAKNSA-N 1 1 457.571 3.573 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC001307775283 1070178598 /nfs/dbraw/zinc/17/85/98/1070178598.db2.gz ZIEYSBNOIDYWDQ-FSSWDIPSSA-N 1 1 461.578 3.540 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001314357772 1070179869 /nfs/dbraw/zinc/17/98/69/1070179869.db2.gz RTAYEUABEZJUMJ-NRFANRHFSA-N 1 1 459.610 3.989 20 0 JHADMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC001307788765 1070183011 /nfs/dbraw/zinc/18/30/11/1070183011.db2.gz SSRIJDYTQJQPIX-IAGOWNOFSA-N 1 1 455.502 3.723 20 0 JHADMO C[C@H]1CN(C(=O)CN(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796733 1070186147 /nfs/dbraw/zinc/18/61/47/1070186147.db2.gz QCTPUTRZFTWXRN-WIOPSUGQSA-N 1 1 450.627 3.574 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001314364110 1070191217 /nfs/dbraw/zinc/19/12/17/1070191217.db2.gz ITSHAWNVWAOREN-HSZRJFAPSA-N 1 1 465.646 3.821 20 0 JHADMO C[C@@H](NC(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810272 1070193312 /nfs/dbraw/zinc/19/33/12/1070193312.db2.gz ASZHSDQWHABYQP-OPAMFIHVSA-N 1 1 454.464 3.829 20 0 JHADMO 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CCOC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314421563 1070294012 /nfs/dbraw/zinc/29/40/12/1070294012.db2.gz VCSLFCRGHNTAGW-ZCNNSNEGSA-N 1 1 477.053 3.746 20 0 JHADMO COC(=O)C1CC2(C1)C[N@H+](Cc1nc(-c3ccc(F)c(C)c3)no1)C[C@@H]2C(=O)OC(C)(C)C ZINC001308066744 1070300216 /nfs/dbraw/zinc/30/02/16/1070300216.db2.gz XBOQEELOOHUAEE-VTPMOLMCSA-N 1 1 459.518 3.527 20 0 JHADMO COC(=O)C1CC2(C1)C[N@@H+](Cc1nc(-c3ccc(F)c(C)c3)no1)C[C@@H]2C(=O)OC(C)(C)C ZINC001308066744 1070300231 /nfs/dbraw/zinc/30/02/31/1070300231.db2.gz XBOQEELOOHUAEE-VTPMOLMCSA-N 1 1 459.518 3.527 20 0 JHADMO 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 1070304258 /nfs/dbraw/zinc/30/42/58/1070304258.db2.gz JWGIPQOGQIEITE-QHRIQVFBSA-N 1 1 463.522 3.749 20 0 JHADMO CCOC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314426845 1070305206 /nfs/dbraw/zinc/30/52/06/1070305206.db2.gz PZOKVWIEIIHKOD-GGAORHGYSA-N 1 1 457.667 3.657 20 0 JHADMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]([C@@H]2CCCO2)C1 ZINC001308100647 1070311267 /nfs/dbraw/zinc/31/12/67/1070311267.db2.gz IFAFAFHVSCOGCH-MDAIXWLXSA-N 1 1 456.608 3.776 20 0 JHADMO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001308106568 1070313099 /nfs/dbraw/zinc/31/30/99/1070313099.db2.gz DMHOWCVGINTFLC-RHSMWYFYSA-N 1 1 453.377 3.852 20 0 JHADMO COC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(Br)cc2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001308106568 1070313117 /nfs/dbraw/zinc/31/31/17/1070313117.db2.gz DMHOWCVGINTFLC-RHSMWYFYSA-N 1 1 453.377 3.852 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001314428194 1070308841 /nfs/dbraw/zinc/30/88/41/1070308841.db2.gz FAXPCTDFKATIBF-CTNGQTDRSA-N 1 1 492.064 3.827 20 0 JHADMO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107360 1070314207 /nfs/dbraw/zinc/31/42/07/1070314207.db2.gz NLTDYVJQBRYTTP-SFHVURJKSA-N 1 1 456.587 3.987 20 0 JHADMO Cc1noc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001308112224 1070317671 /nfs/dbraw/zinc/31/76/71/1070317671.db2.gz DVSZUSPZQZWMAT-DOTOQJQBSA-N 1 1 453.568 3.974 20 0 JHADMO Cc1noc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001308112224 1070317692 /nfs/dbraw/zinc/31/76/92/1070317692.db2.gz DVSZUSPZQZWMAT-DOTOQJQBSA-N 1 1 453.568 3.974 20 0 JHADMO CCOC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001314435346 1070321147 /nfs/dbraw/zinc/32/11/47/1070321147.db2.gz JSONHRKHBKTORT-KRWDZBQOSA-N 1 1 450.425 3.911 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001314435347 1070321565 /nfs/dbraw/zinc/32/15/65/1070321565.db2.gz JSONHRKHBKTORT-QGZVFWFLSA-N 1 1 450.425 3.911 20 0 JHADMO 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 1070322335 /nfs/dbraw/zinc/32/23/35/1070322335.db2.gz GRTKYSSMFLHZJC-CEXWTWQISA-N 1 1 458.603 3.623 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314436703 1070324106 /nfs/dbraw/zinc/32/41/06/1070324106.db2.gz OQSCXWASRHTOBP-RZUBCFFCSA-N 1 1 473.637 3.759 20 0 JHADMO Cc1ccc(NCCNC(=O)N2CCC[C@H]2c2ccc(I)cc2)[nH+]c1 ZINC001313332785 1070328983 /nfs/dbraw/zinc/32/89/83/1070328983.db2.gz SGGRCKLSWXEPDR-KRWDZBQOSA-N 1 1 450.324 3.953 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314437254 1070324973 /nfs/dbraw/zinc/32/49/73/1070324973.db2.gz VRAFNPKMPRYIFX-QZTJIDSGSA-N 1 1 479.467 3.641 20 0 JHADMO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001308139454 1070325628 /nfs/dbraw/zinc/32/56/28/1070325628.db2.gz KVMIOFNSXQCXBM-JKSUJKDBSA-N 1 1 452.780 3.722 20 0 JHADMO 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 1070330004 /nfs/dbraw/zinc/33/00/04/1070330004.db2.gz BNNZIPFMCVGRIM-QOAPGFADSA-N 1 1 458.647 3.983 20 0 JHADMO CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001314444085 1070336993 /nfs/dbraw/zinc/33/69/93/1070336993.db2.gz XBLINMQUOZFZLT-HBMCJLEFSA-N 1 1 476.666 3.555 20 0 JHADMO Fc1cc(Br)c(I)cc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001308205029 1070340603 /nfs/dbraw/zinc/34/06/03/1070340603.db2.gz MMNNWOADWWPGIH-HUUCEWRRSA-N 1 1 453.137 3.909 20 0 JHADMO COc1cc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc(Br)c1O ZINC001308228178 1070343002 /nfs/dbraw/zinc/34/30/02/1070343002.db2.gz GKBFKXZDQDZWSM-UHFFFAOYSA-N 1 1 457.390 3.530 20 0 JHADMO CCC[C@H]1CN(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001313385894 1070343370 /nfs/dbraw/zinc/34/33/70/1070343370.db2.gz KNKFOZXEOGQGSN-NFJKTXFASA-N 1 1 459.656 3.900 20 0 JHADMO O=C1[C@@H]([NH2+]Cc2ccc(F)cc2I)CCN1CCCc1ccccc1 ZINC001308303046 1070354370 /nfs/dbraw/zinc/35/43/70/1070354370.db2.gz KEVFESHFSGANBB-IBGZPJMESA-N 1 1 452.311 3.754 20 0 JHADMO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC001308333146 1070358353 /nfs/dbraw/zinc/35/83/53/1070358353.db2.gz JQONJNSNGVHXHT-UHFFFAOYSA-N 1 1 450.576 3.694 20 0 JHADMO O[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)c1cccc(Br)c1 ZINC001308384701 1070365108 /nfs/dbraw/zinc/36/51/08/1070365108.db2.gz UXONBVSMYVSPML-KRWDZBQOSA-N 1 1 452.150 3.616 20 0 JHADMO CCOCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001314462070 1070369598 /nfs/dbraw/zinc/36/95/98/1070369598.db2.gz SDVGFECDLZKLCY-HHHXNRCGSA-N 1 1 485.673 3.882 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313447645 1070368359 /nfs/dbraw/zinc/36/83/59/1070368359.db2.gz LTELFYXFQZUBDD-PMACEKPBSA-N 1 1 456.635 3.852 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001313447850 1070369164 /nfs/dbraw/zinc/36/91/64/1070369164.db2.gz OWJMHKJDEQZUHR-KRWDZBQOSA-N 1 1 484.041 3.625 20 0 JHADMO CCCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313448180 1070370366 /nfs/dbraw/zinc/37/03/66/1070370366.db2.gz ZEXPEAGXOUOCGA-NRFANRHFSA-N 1 1 482.673 3.655 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313448276 1070371032 /nfs/dbraw/zinc/37/10/32/1070371032.db2.gz QJGNHAGWPOPENJ-QFIPXVFZSA-N 1 1 468.646 3.523 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313448469 1070371102 /nfs/dbraw/zinc/37/11/02/1070371102.db2.gz QVKGWKJWAZKJNG-KRWDZBQOSA-N 1 1 495.491 3.748 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313448993 1070373017 /nfs/dbraw/zinc/37/30/17/1070373017.db2.gz FAIBGTGTYFIAAL-CTNGQTDRSA-N 1 1 469.634 3.660 20 0 JHADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313449684 1070375766 /nfs/dbraw/zinc/37/57/66/1070375766.db2.gz QAWKECKPCVZWTB-NHCUHLMSSA-N 1 1 486.636 3.565 20 0 JHADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001313449686 1070375833 /nfs/dbraw/zinc/37/58/33/1070375833.db2.gz QAWKECKPCVZWTB-SFTDATJTSA-N 1 1 486.636 3.565 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313451666 1070380228 /nfs/dbraw/zinc/38/02/28/1070380228.db2.gz BDIKBHYTWPMBFQ-UNMCSNQZSA-N 1 1 483.661 3.584 20 0 JHADMO CCOCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001314467021 1070377734 /nfs/dbraw/zinc/37/77/34/1070377734.db2.gz OFNJXXGTHVJDQR-QGZVFWFLSA-N 1 1 450.425 3.973 20 0 JHADMO CCOCCN(C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001314467507 1070378112 /nfs/dbraw/zinc/37/81/12/1070378112.db2.gz MKSNXWMGYQSMEY-FQEVSTJZSA-N 1 1 453.587 3.588 20 0 JHADMO CCOCCN(C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001314467507 1070378131 /nfs/dbraw/zinc/37/81/31/1070378131.db2.gz MKSNXWMGYQSMEY-FQEVSTJZSA-N 1 1 453.587 3.588 20 0 JHADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCC[N@H+]2CCC)CC1=O ZINC001313450743 1070378311 /nfs/dbraw/zinc/37/83/11/1070378311.db2.gz ZPXJQIAUQYIFNX-NRFANRHFSA-N 1 1 486.636 3.709 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313451015 1070378819 /nfs/dbraw/zinc/37/88/19/1070378819.db2.gz QDADKEFEXJZGLV-XZOQPEGZSA-N 1 1 459.610 3.513 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001313451023 1070378908 /nfs/dbraw/zinc/37/89/08/1070378908.db2.gz QIDLGLQNQNTWES-RTWAWAEBSA-N 1 1 472.682 3.741 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313451533 1070379319 /nfs/dbraw/zinc/37/93/19/1070379319.db2.gz WZWVQXUTZVJYRT-BVSLBCMMSA-N 1 1 490.693 3.786 20 0 JHADMO CCCn1nc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H]2CC[N@@H+](CC)C2)c2ccccc2c1=O ZINC001313452672 1070383604 /nfs/dbraw/zinc/38/36/04/1070383604.db2.gz JVMWMNRKXIVGMR-IBGZPJMESA-N 1 1 465.646 3.889 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313452978 1070384391 /nfs/dbraw/zinc/38/43/91/1070384391.db2.gz MHKIQRXNJUAQKD-MYDTUXCISA-N 1 1 477.694 3.701 20 0 JHADMO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC001308527221 1070386292 /nfs/dbraw/zinc/38/62/92/1070386292.db2.gz VDXLSJZWGRWHKZ-YGRLFVJLSA-N 1 1 455.212 3.523 20 0 JHADMO COc1ccc(CN[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OCC(N)=O ZINC001308537412 1070386844 /nfs/dbraw/zinc/38/68/44/1070386844.db2.gz PQWZQBASYLIGRB-RBJSKKJNSA-N 1 1 459.590 3.707 20 0 JHADMO COc1ccc(CN[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OCC(N)=O ZINC001308537412 1070386860 /nfs/dbraw/zinc/38/68/60/1070386860.db2.gz PQWZQBASYLIGRB-RBJSKKJNSA-N 1 1 459.590 3.707 20 0 JHADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC001308545737 1070387818 /nfs/dbraw/zinc/38/78/18/1070387818.db2.gz HOPGZXHLYPVDKI-UHFFFAOYSA-N 1 1 450.967 3.718 20 0 JHADMO COc1cc(CNc2[nH]c3cc(Br)c(F)cc3[nH+]2)cc(Cl)c1OCC(N)=O ZINC001308548602 1070388053 /nfs/dbraw/zinc/38/80/53/1070388053.db2.gz YTHUFHULZDJIIX-UHFFFAOYSA-N 1 1 457.687 3.603 20 0 JHADMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560565 1070388887 /nfs/dbraw/zinc/38/88/87/1070388887.db2.gz HOYOATPUNILEBL-OXJNMPFZSA-N 1 1 457.445 3.932 20 0 JHADMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308560564 1070389540 /nfs/dbraw/zinc/38/95/40/1070389540.db2.gz HOYOATPUNILEBL-JXFKEZNVSA-N 1 1 457.445 3.932 20 0 JHADMO Cn1cc(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C2CCOCC2)n1 ZINC001308599956 1070398468 /nfs/dbraw/zinc/39/84/68/1070398468.db2.gz PWQJNVYTCCLMFF-UHFFFAOYSA-N 1 1 454.596 3.747 20 0 JHADMO Cn1cc(C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C2CCOCC2)n1 ZINC001308599956 1070398484 /nfs/dbraw/zinc/39/84/84/1070398484.db2.gz PWQJNVYTCCLMFF-UHFFFAOYSA-N 1 1 454.596 3.747 20 0 JHADMO CCCn1nc(-c2nnc(N3CCC[C@H]3CSC)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313458007 1070401558 /nfs/dbraw/zinc/40/15/58/1070401558.db2.gz BUXWWUNAZFTLIU-IBGZPJMESA-N 1 1 483.686 3.737 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001313459328 1070406719 /nfs/dbraw/zinc/40/67/19/1070406719.db2.gz HNCWMVNHVZZJMP-SJORKVTESA-N 1 1 477.028 3.963 20 0 JHADMO 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 1070406020 /nfs/dbraw/zinc/40/60/20/1070406020.db2.gz AFAPYVRDVQYLRZ-IPMKNSEASA-N 1 1 488.599 3.647 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CC2)C[C@H]1CC ZINC001314492890 1070406129 /nfs/dbraw/zinc/40/61/29/1070406129.db2.gz BTKAGDALBFBAPR-JOCHJYFZSA-N 1 1 468.646 3.884 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2cccn2)C[C@H]1CC ZINC001314494915 1070410690 /nfs/dbraw/zinc/41/06/90/1070410690.db2.gz UFMORKNRERJJJU-JOCHJYFZSA-N 1 1 465.646 3.747 20 0 JHADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308657805 1070412417 /nfs/dbraw/zinc/41/24/17/1070412417.db2.gz WDZUTLGOAKSVKY-OAHLLOKOSA-N 1 1 452.502 3.791 20 0 JHADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308657805 1070412427 /nfs/dbraw/zinc/41/24/27/1070412427.db2.gz WDZUTLGOAKSVKY-OAHLLOKOSA-N 1 1 452.502 3.791 20 0 JHADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308657803 1070412678 /nfs/dbraw/zinc/41/26/78/1070412678.db2.gz WDZUTLGOAKSVKY-HNNXBMFYSA-N 1 1 452.502 3.791 20 0 JHADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001308657803 1070412682 /nfs/dbraw/zinc/41/26/82/1070412682.db2.gz WDZUTLGOAKSVKY-HNNXBMFYSA-N 1 1 452.502 3.791 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001314495218 1070412737 /nfs/dbraw/zinc/41/27/37/1070412737.db2.gz GGTIMIIEUOXATJ-UHFFFAOYSA-N 1 1 490.530 3.596 20 0 JHADMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC001308661674 1070413318 /nfs/dbraw/zinc/41/33/18/1070413318.db2.gz CIZBLWTYBPJJGP-JPYJTQIMSA-N 1 1 454.567 3.591 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCCO2)CC1 ZINC001314495440 1070413475 /nfs/dbraw/zinc/41/34/75/1070413475.db2.gz ZCHOYSXVICDBRI-DENIHFKCSA-N 1 1 478.037 3.799 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314495511 1070413604 /nfs/dbraw/zinc/41/36/04/1070413604.db2.gz IAYVIDKHLHXZJV-QFIPXVFZSA-N 1 1 454.663 3.614 20 0 JHADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001308664853 1070414160 /nfs/dbraw/zinc/41/41/60/1070414160.db2.gz VSLDFJVWSVHYGT-UHFFFAOYSA-N 1 1 456.388 3.665 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCC(OC)CC2)CC1 ZINC001314495685 1070414482 /nfs/dbraw/zinc/41/44/82/1070414482.db2.gz ABJNNAAAYDKZAG-UHFFFAOYSA-N 1 1 462.038 3.962 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)c2ccsc2)C[C@H]1CC ZINC001314495597 1070414567 /nfs/dbraw/zinc/41/45/67/1070414567.db2.gz IYBKJNOXBLPELW-RCZVLFRGSA-N 1 1 469.655 3.851 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(OC)C2CC2)CC1 ZINC001314495605 1070414633 /nfs/dbraw/zinc/41/46/33/1070414633.db2.gz JAQZDWQBQPKSQP-HSZRJFAPSA-N 1 1 492.462 3.681 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001314495716 1070415317 /nfs/dbraw/zinc/41/53/17/1070415317.db2.gz AZOIJCUTJPYTGP-URXFXBBRSA-N 1 1 499.647 3.693 20 0 JHADMO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001308681471 1070417652 /nfs/dbraw/zinc/41/76/52/1070417652.db2.gz AXGQIYCURKMSKA-XLIONFOSSA-N 1 1 454.571 3.858 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)C[C@@H]1CC ZINC001314495994 1070416206 /nfs/dbraw/zinc/41/62/06/1070416206.db2.gz DPVRNSUIJAHVLL-NRFANRHFSA-N 1 1 468.602 3.544 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCSC(F)(F)F)CC1 ZINC001314496204 1070416313 /nfs/dbraw/zinc/41/63/13/1070416313.db2.gz OEFXGRAXZZSABO-UHFFFAOYSA-N 1 1 480.560 3.905 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2ccccn2)CC1 ZINC001314496587 1070417127 /nfs/dbraw/zinc/41/71/27/1070417127.db2.gz KDYPPXOKKZPFAW-UHFFFAOYSA-N 1 1 485.430 3.504 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)O)C[C@H]1CC ZINC001314496640 1070418122 /nfs/dbraw/zinc/41/81/22/1070418122.db2.gz LOSQYWYXZITJHW-HXUWFJFHSA-N 1 1 466.630 3.510 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314497260 1070420446 /nfs/dbraw/zinc/42/04/46/1070420446.db2.gz BUGHLHJFSNXNTB-FCHUYYIVSA-N 1 1 490.693 3.882 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC)c2)C[C@H]1CC ZINC001314497738 1070421447 /nfs/dbraw/zinc/42/14/47/1070421447.db2.gz SVSUCUUASOFGJP-JOCHJYFZSA-N 1 1 472.037 3.800 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@H]1CC ZINC001314497708 1070421472 /nfs/dbraw/zinc/42/14/72/1070421472.db2.gz FGVSQQVWFPQOPG-LPIJFZEYSA-N 1 1 463.667 3.662 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCS2)C[C@@H]1CC ZINC001314497783 1070421489 /nfs/dbraw/zinc/42/14/89/1070421489.db2.gz UZUYJORYMAAVOK-ZWKOTPCHSA-N 1 1 497.507 3.868 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)C[C@H]1CC ZINC001314497857 1070422112 /nfs/dbraw/zinc/42/21/12/1070422112.db2.gz FFMYCOTWQWJTEL-HXUWFJFHSA-N 1 1 475.062 3.964 20 0 JHADMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001308715416 1070424461 /nfs/dbraw/zinc/42/44/61/1070424461.db2.gz VJLNSXHSJFKBJO-HSZRJFAPSA-N 1 1 452.617 3.833 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(C)(C)C2)C[C@@H]1CC ZINC001314498481 1070424653 /nfs/dbraw/zinc/42/46/53/1070424653.db2.gz ORXAICAKBRPQPJ-QFIPXVFZSA-N 1 1 457.667 3.513 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)nc2)C[C@H]1CC ZINC001314498772 1070425539 /nfs/dbraw/zinc/42/55/39/1070425539.db2.gz GXDQGKVVFFDRGD-HSZRJFAPSA-N 1 1 466.605 3.697 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2[C@@H]2C[C@H]2CF)C[C@@H]1CC ZINC001314499457 1070427219 /nfs/dbraw/zinc/42/72/19/1070427219.db2.gz KQWWHMQJTZRVJG-XGHQBKJUSA-N 1 1 451.537 3.615 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CSCCS2)C[C@@H]1CC ZINC001314499310 1070427273 /nfs/dbraw/zinc/42/72/73/1070427273.db2.gz XPFRKSPDNAUYPN-LEWJYISDSA-N 1 1 467.749 3.797 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCS2)CC1 ZINC001314499777 1070427930 /nfs/dbraw/zinc/42/79/30/1070427930.db2.gz NVCKPULUHVOFPC-SFHVURJKSA-N 1 1 465.614 3.591 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)C[C@H]1CC ZINC001314499929 1070428804 /nfs/dbraw/zinc/42/88/04/1070428804.db2.gz DVXDFBHBUUXSJR-RTBURBONSA-N 1 1 455.738 3.652 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(C)on2)C[C@H]1CC ZINC001314500024 1070428891 /nfs/dbraw/zinc/42/88/91/1070428891.db2.gz OZROVIHLFOCOHZ-JOCHJYFZSA-N 1 1 473.021 3.804 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CSCCS2)C[C@H]1CC ZINC001314499926 1070429064 /nfs/dbraw/zinc/42/90/64/1070429064.db2.gz DVXDFBHBUUXSJR-MOPGFXCFSA-N 1 1 455.738 3.652 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001314500428 1070431405 /nfs/dbraw/zinc/43/14/05/1070431405.db2.gz UTBDJNQUSDYWNY-YADHBBJMSA-N 1 1 478.037 3.719 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001314500427 1070431544 /nfs/dbraw/zinc/43/15/44/1070431544.db2.gz UTBDJNQUSDYWNY-VXKWHMMOSA-N 1 1 478.037 3.719 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2csc(C)c2)C[C@@H]1CC ZINC001314500652 1070431647 /nfs/dbraw/zinc/43/16/47/1070431647.db2.gz WYOLFRUYEZPWSP-QFIPXVFZSA-N 1 1 454.644 3.619 20 0 JHADMO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001308760841 1070432702 /nfs/dbraw/zinc/43/27/02/1070432702.db2.gz LODKJNIXKQPKPD-UHFFFAOYSA-N 1 1 458.603 3.945 20 0 JHADMO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001308760841 1070432709 /nfs/dbraw/zinc/43/27/09/1070432709.db2.gz LODKJNIXKQPKPD-UHFFFAOYSA-N 1 1 458.603 3.945 20 0 JHADMO CCn1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC001308767369 1070434386 /nfs/dbraw/zinc/43/43/86/1070434386.db2.gz SEHJCDFRCQWTTF-CTNGQTDRSA-N 1 1 450.505 3.618 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001314501652 1070434467 /nfs/dbraw/zinc/43/44/67/1070434467.db2.gz RDQITPJYTJRZQY-PMACEKPBSA-N 1 1 455.594 3.546 20 0 JHADMO CN1CC[N@@H+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@H](Cc2ccccc2)C1 ZINC001308849064 1070448466 /nfs/dbraw/zinc/44/84/66/1070448466.db2.gz MCJQASMFXRGSCC-JOCHJYFZSA-N 1 1 454.615 3.695 20 0 JHADMO C[N@@H+]1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@H](Cc2ccccc2)C1 ZINC001308849064 1070448470 /nfs/dbraw/zinc/44/84/70/1070448470.db2.gz MCJQASMFXRGSCC-JOCHJYFZSA-N 1 1 454.615 3.695 20 0 JHADMO C[N@H+]1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@H](Cc2ccccc2)C1 ZINC001308849064 1070448474 /nfs/dbraw/zinc/44/84/74/1070448474.db2.gz MCJQASMFXRGSCC-JOCHJYFZSA-N 1 1 454.615 3.695 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCc3ccccc3C2)CC1 ZINC001313468780 1070449535 /nfs/dbraw/zinc/44/95/35/1070449535.db2.gz QWAKSLCMKAOPJC-HXUWFJFHSA-N 1 1 452.647 3.593 20 0 JHADMO Cc1ccc(-n2c(Cl)c(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)nc2N(C)C)cc1 ZINC001308859332 1070450091 /nfs/dbraw/zinc/45/00/91/1070450091.db2.gz IHZLHSUOZVYDMF-QFIPXVFZSA-N 1 1 454.018 3.757 20 0 JHADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cnc(NC(=O)OC(C)(C)C)cn3)C2)O1 ZINC001308914992 1070459111 /nfs/dbraw/zinc/45/91/11/1070459111.db2.gz REFMJOKXIXUKJE-UQBPGWFLSA-N 1 1 453.587 3.689 20 0 JHADMO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308960177 1070466321 /nfs/dbraw/zinc/46/63/21/1070466321.db2.gz FADCNUGBJAGNIR-NRFANRHFSA-N 1 1 450.377 3.622 20 0 JHADMO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308960177 1070466324 /nfs/dbraw/zinc/46/63/24/1070466324.db2.gz FADCNUGBJAGNIR-NRFANRHFSA-N 1 1 450.377 3.622 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001313472416 1070466466 /nfs/dbraw/zinc/46/64/66/1070466466.db2.gz ZKCVIRMOLWZLEI-OAQYLSRUSA-N 1 1 452.647 3.728 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001313472576 1070467241 /nfs/dbraw/zinc/46/72/41/1070467241.db2.gz NZXOJPNRTWKDBO-QFIPXVFZSA-N 1 1 473.065 3.930 20 0 JHADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cnn1C ZINC001308975081 1070469335 /nfs/dbraw/zinc/46/93/35/1070469335.db2.gz YVBSKZVBJYKSAF-LJQANCHMSA-N 1 1 452.603 3.934 20 0 JHADMO CCCNC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313474288 1070472034 /nfs/dbraw/zinc/47/20/34/1070472034.db2.gz QZBOKUSVYGEQKX-IBGZPJMESA-N 1 1 474.625 3.784 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001314512343 1070474934 /nfs/dbraw/zinc/47/49/34/1070474934.db2.gz HGZDPZBYJJBBNV-MOPGFXCFSA-N 1 1 485.654 3.553 20 0 JHADMO 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C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001309362983 1070724251 /nfs/dbraw/zinc/72/42/51/1070724251.db2.gz JDXNPTKNCCGBFM-QVKFZJNVSA-N 1 1 454.951 3.612 20 0 JHADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001309362983 1070724265 /nfs/dbraw/zinc/72/42/65/1070724265.db2.gz JDXNPTKNCCGBFM-QVKFZJNVSA-N 1 1 454.951 3.612 20 0 JHADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC001309364371 1070726171 /nfs/dbraw/zinc/72/61/71/1070726171.db2.gz XGARZDYCZBFAQX-JXFKEZNVSA-N 1 1 454.951 3.545 20 0 JHADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC001309364371 1070726185 /nfs/dbraw/zinc/72/61/85/1070726185.db2.gz XGARZDYCZBFAQX-JXFKEZNVSA-N 1 1 454.951 3.545 20 0 JHADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC1 ZINC001314630050 1070730005 /nfs/dbraw/zinc/73/00/05/1070730005.db2.gz VQINUZFPLREPFW-HXUWFJFHSA-N 1 1 463.001 3.669 20 0 JHADMO CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313619341 1070744880 /nfs/dbraw/zinc/74/48/80/1070744880.db2.gz TWDFSTGRDATBPE-KDURUIRLSA-N 1 1 457.619 3.742 20 0 JHADMO CN(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314647071 1070748325 /nfs/dbraw/zinc/74/83/25/1070748325.db2.gz KPMUYKCIOSWSKR-SFHVURJKSA-N 1 1 490.450 3.852 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001313625702 1070754711 /nfs/dbraw/zinc/75/47/11/1070754711.db2.gz CRSNFHCTGQGJHP-VWLOTQADSA-N 1 1 453.587 3.666 20 0 JHADMO CCN(CC(C)C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001313627204 1070756835 /nfs/dbraw/zinc/75/68/35/1070756835.db2.gz QHDUNGJJASESOX-VWLOTQADSA-N 1 1 467.618 3.738 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313628574 1070759407 /nfs/dbraw/zinc/75/94/07/1070759407.db2.gz VWHXTBUDBSVDAU-FQEVSTJZSA-N 1 1 461.676 3.951 20 0 JHADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC001309423514 1070761593 /nfs/dbraw/zinc/76/15/93/1070761593.db2.gz CYLODEIEWMPUNE-KRWDZBQOSA-N 1 1 452.445 3.931 20 0 JHADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001309427949 1070763980 /nfs/dbraw/zinc/76/39/80/1070763980.db2.gz VBVCMBFLVFXRCA-LJQANCHMSA-N 1 1 457.518 3.622 20 0 JHADMO CCN(CC)C(=O)CCCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313637154 1070774926 /nfs/dbraw/zinc/77/49/26/1070774926.db2.gz NOCNRNTUNMXXNH-GOSISDBHSA-N 1 1 491.478 3.887 20 0 JHADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313639991 1070784057 /nfs/dbraw/zinc/78/40/57/1070784057.db2.gz QBJBHXAYYFSPNU-XMMPIXPASA-N 1 1 468.690 3.830 20 0 JHADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313639991 1070784061 /nfs/dbraw/zinc/78/40/61/1070784061.db2.gz QBJBHXAYYFSPNU-XMMPIXPASA-N 1 1 468.690 3.830 20 0 JHADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313639991 1070784067 /nfs/dbraw/zinc/78/40/67/1070784067.db2.gz QBJBHXAYYFSPNU-XMMPIXPASA-N 1 1 468.690 3.830 20 0 JHADMO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC001314660730 1070784906 /nfs/dbraw/zinc/78/49/06/1070784906.db2.gz IKKUNSSFLFJQLM-SQJMNOBHSA-N 1 1 493.704 3.629 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CC2(c3cccc(OC)c3)CC2)CC1 ZINC001313642875 1070792131 /nfs/dbraw/zinc/79/21/31/1070792131.db2.gz CRUYUYCQOWFQDX-UHFFFAOYSA-N 1 1 482.673 3.522 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CC2(c3cccc(OC)c3)CC2)CC1 ZINC001313642875 1070792151 /nfs/dbraw/zinc/79/21/51/1070792151.db2.gz CRUYUYCQOWFQDX-UHFFFAOYSA-N 1 1 482.673 3.522 20 0 JHADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2csc(C)n2)n1CC[N@H+]1CCC[C@@H]1C ZINC001313640782 1070786091 /nfs/dbraw/zinc/78/60/91/1070786091.db2.gz TYMWEDWHRJNCKZ-CVDCTZTESA-N 1 1 468.671 3.986 20 0 JHADMO CCN(CC)C(=O)CCCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313643759 1070794911 /nfs/dbraw/zinc/79/49/11/1070794911.db2.gz FUBILMKNJZVXEN-FQEVSTJZSA-N 1 1 467.662 3.608 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313644409 1070797327 /nfs/dbraw/zinc/79/73/27/1070797327.db2.gz LBXDVGHCCZHZLS-GGAORHGYSA-N 1 1 490.737 3.797 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001313644409 1070797338 /nfs/dbraw/zinc/79/73/38/1070797338.db2.gz LBXDVGHCCZHZLS-GGAORHGYSA-N 1 1 490.737 3.797 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H](C)c2ccccc2)CC1 ZINC001313645190 1070801720 /nfs/dbraw/zinc/80/17/20/1070801720.db2.gz KWHYIVUCXJTNEM-JOCHJYFZSA-N 1 1 454.663 3.661 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H](C)c2ccccc2)CC1 ZINC001313645190 1070801741 /nfs/dbraw/zinc/80/17/41/1070801741.db2.gz KWHYIVUCXJTNEM-JOCHJYFZSA-N 1 1 454.663 3.661 20 0 JHADMO 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ZINC001314670887 1070812968 /nfs/dbraw/zinc/81/29/68/1070812968.db2.gz SSAJVGAUXRUJQE-FQEVSTJZSA-N 1 1 484.636 3.983 20 0 JHADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001313648458 1070816648 /nfs/dbraw/zinc/81/66/48/1070816648.db2.gz WOMDFXQSJYFTOS-OAQYLSRUSA-N 1 1 495.697 3.835 20 0 JHADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001313648458 1070816678 /nfs/dbraw/zinc/81/66/78/1070816678.db2.gz WOMDFXQSJYFTOS-OAQYLSRUSA-N 1 1 495.697 3.835 20 0 JHADMO CN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314676667 1070822243 /nfs/dbraw/zinc/82/22/43/1070822243.db2.gz KLZMCZQTCRVEQL-PKTZIBPZSA-N 1 1 455.647 3.872 20 0 JHADMO CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC001314677985 1070825800 /nfs/dbraw/zinc/82/58/00/1070825800.db2.gz OEUZZZKPLOYINN-UHFFFAOYSA-N 1 1 489.064 3.743 20 0 JHADMO CCN(CC)C(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313652214 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/nfs/dbraw/zinc/84/37/32/1070843732.db2.gz ZVWUIFBNWLSSNK-UHFFFAOYSA-N 1 1 496.681 3.654 20 0 JHADMO CN(c1nnc(C2CCC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314688499 1070847721 /nfs/dbraw/zinc/84/77/21/1070847721.db2.gz HAOIZIPPAZBJHG-OAQYLSRUSA-N 1 1 454.619 3.781 20 0 JHADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2cccc(Br)c2F)[NH+](C)C)cc1 ZINC001309549854 1070848726 /nfs/dbraw/zinc/84/87/26/1070848726.db2.gz UKBJSRODJIFJDL-QGZVFWFLSA-N 1 1 459.381 3.957 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001313656811 1070852578 /nfs/dbraw/zinc/85/25/78/1070852578.db2.gz LVEXHXJMDVULBN-YADHBBJMSA-N 1 1 479.673 3.689 20 0 JHADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001313656810 1070853154 /nfs/dbraw/zinc/85/31/54/1070853154.db2.gz LVEXHXJMDVULBN-VXKWHMMOSA-N 1 1 479.673 3.689 20 0 JHADMO CCC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](c3ccc(CC(C)C)cc3)[NH+](C)C)cc21 ZINC001309560424 1070857657 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/nfs/dbraw/zinc/88/86/03/1070888603.db2.gz RNASLUWELWCFJM-QFIPXVFZSA-N 1 1 452.647 3.907 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001314711966 1070894381 /nfs/dbraw/zinc/89/43/81/1070894381.db2.gz CDKJUJGIAJTIAU-GGAORHGYSA-N 1 1 490.092 3.868 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC1CCOCC1 ZINC001314713476 1070900676 /nfs/dbraw/zinc/90/06/76/1070900676.db2.gz HUMSMXPXJUXFAB-UHFFFAOYSA-N 1 1 462.038 3.820 20 0 JHADMO CN(CC(F)(F)F)c1nnc(Cc2ccsc2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001314717749 1070909532 /nfs/dbraw/zinc/90/95/32/1070909532.db2.gz DKTGGYUYJZVDKR-UHFFFAOYSA-N 1 1 465.545 3.809 20 0 JHADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001309651002 1070902871 /nfs/dbraw/zinc/90/28/71/1070902871.db2.gz YGGUZJRWTXHMFY-WOJBJXKFSA-N 1 1 454.514 3.678 20 0 JHADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001309651002 1070902879 /nfs/dbraw/zinc/90/28/79/1070902879.db2.gz YGGUZJRWTXHMFY-WOJBJXKFSA-N 1 1 454.514 3.678 20 0 JHADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001309651000 1070902999 /nfs/dbraw/zinc/90/29/99/1070902999.db2.gz YGGUZJRWTXHMFY-UXHICEINSA-N 1 1 454.514 3.678 20 0 JHADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001309651000 1070903014 /nfs/dbraw/zinc/90/30/14/1070903014.db2.gz YGGUZJRWTXHMFY-UXHICEINSA-N 1 1 454.514 3.678 20 0 JHADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccccc1Cl ZINC001314716141 1070906412 /nfs/dbraw/zinc/90/64/12/1070906412.db2.gz RTYRYVGZKZKDLW-VWLOTQADSA-N 1 1 478.081 3.931 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(C2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313673337 1070907138 /nfs/dbraw/zinc/90/71/38/1070907138.db2.gz QKLXTMKBGJORSU-PMACEKPBSA-N 1 1 465.689 3.704 20 0 JHADMO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC001309659884 1070908495 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NLJABJOVBIEOCC-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314728096 1070940899 /nfs/dbraw/zinc/94/08/99/1070940899.db2.gz NLJABJOVBIEOCC-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767318 1070960240 /nfs/dbraw/zinc/96/02/40/1070960240.db2.gz JTKSIPHZHQEBGB-QRWLVFNGSA-N 1 1 455.393 3.918 20 0 JHADMO CC(=O)N1c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2C[C@@H]1C ZINC001309815195 1070980826 /nfs/dbraw/zinc/98/08/26/1070980826.db2.gz MJQNWOOGZLTFLO-CVDCTZTESA-N 1 1 455.624 3.659 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@H]1C ZINC001313702018 1070982186 /nfs/dbraw/zinc/98/21/86/1070982186.db2.gz FRIXQLJUYUDISL-QPPBQGQZSA-N 1 1 454.663 3.940 20 0 JHADMO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314743340 1070983536 /nfs/dbraw/zinc/98/35/36/1070983536.db2.gz LOSSAQYEDACQSL-FQEVSTJZSA-N 1 1 476.572 3.732 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H](Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C(C)(C)C)C1CC1 ZINC001314744838 1070987165 /nfs/dbraw/zinc/98/71/65/1070987165.db2.gz QIOPQNQFDAGGHE-RBBKRZOGSA-N 1 1 452.647 3.578 20 0 JHADMO CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1F ZINC001309831490 1070988810 /nfs/dbraw/zinc/98/88/10/1070988810.db2.gz ZSQLEBFENBUNGT-INIZCTEOSA-N 1 1 454.589 3.515 20 0 JHADMO CN(Cc1ccccc1Br)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314746336 1070991248 /nfs/dbraw/zinc/99/12/48/1070991248.db2.gz HWAFTUWDNUTYLR-HXUWFJFHSA-N 1 1 491.478 3.555 20 0 JHADMO CN(Cc1ccco1)c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCOCC1 ZINC001314758233 1071012507 /nfs/dbraw/zinc/01/25/07/1071012507.db2.gz RNTDHCAEBONJDO-UHFFFAOYSA-N 1 1 460.376 3.659 20 0 JHADMO CC[NH+](CC)CCCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001313720000 1071021250 /nfs/dbraw/zinc/02/12/50/1071021250.db2.gz DVJFBHCSIAOSFT-RBBKRZOGSA-N 1 1 458.699 3.560 20 0 JHADMO CN(Cc1ccsc1)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314769334 1071031498 /nfs/dbraw/zinc/03/14/98/1071031498.db2.gz KFUOLCFAAMGSCL-UHFFFAOYSA-N 1 1 472.634 3.720 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001313727337 1071036650 /nfs/dbraw/zinc/03/66/50/1071036650.db2.gz POXBRONLANBFBK-PKTZIBPZSA-N 1 1 454.663 3.879 20 0 JHADMO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001314773075 1071040512 /nfs/dbraw/zinc/04/05/12/1071040512.db2.gz MVWMUZDTPIJEDB-UHFFFAOYSA-N 1 1 476.000 3.894 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313728829 1071040760 /nfs/dbraw/zinc/04/07/60/1071040760.db2.gz XABLDIGSOYNGKP-CCDWMCETSA-N 1 1 481.733 3.855 20 0 JHADMO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC001309993692 1071043330 /nfs/dbraw/zinc/04/33/30/1071043330.db2.gz KJFFACQMGLUKFN-PZJWPPBQSA-N 1 1 456.612 3.649 20 0 JHADMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001309997889 1071047355 /nfs/dbraw/zinc/04/73/55/1071047355.db2.gz RYCJNIYCZSPWHN-JOCHJYFZSA-N 1 1 456.612 3.647 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccccn2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001313734079 1071053855 /nfs/dbraw/zinc/05/38/55/1071053855.db2.gz UDVMCPYLAMZSDJ-SFHVURJKSA-N 1 1 475.062 3.974 20 0 JHADMO CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001314782504 1071057917 /nfs/dbraw/zinc/05/79/17/1071057917.db2.gz PZHMAGGCYIXDEO-IBGZPJMESA-N 1 1 498.619 3.554 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001313734240 1071054300 /nfs/dbraw/zinc/05/43/00/1071054300.db2.gz NWQDSOMWTVWHHQ-SIKLNZKXSA-N 1 1 456.610 3.907 20 0 JHADMO CCN(Cc1ccc(OC)cc1OC)c1nnc(C2CCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001313738508 1071062849 /nfs/dbraw/zinc/06/28/49/1071062849.db2.gz USEWWUGRGGWIGS-UHFFFAOYSA-N 1 1 457.619 3.700 20 0 JHADMO CCN(Cc1ccc(OC)cc1OC)c1nnc(C2CCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001313738508 1071062861 /nfs/dbraw/zinc/06/28/61/1071062861.db2.gz USEWWUGRGGWIGS-UHFFFAOYSA-N 1 1 457.619 3.700 20 0 JHADMO CN(C[C@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314789504 1071066679 /nfs/dbraw/zinc/06/66/79/1071066679.db2.gz YYHJDWUQVNBXRP-PMACEKPBSA-N 1 1 451.619 3.838 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001313750558 1071082912 /nfs/dbraw/zinc/08/29/12/1071082912.db2.gz NJJQPZCGXPWGEI-IBGZPJMESA-N 1 1 459.545 3.791 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001313750778 1071083999 /nfs/dbraw/zinc/08/39/99/1071083999.db2.gz CBXNAOUCADLZDL-FQEVSTJZSA-N 1 1 481.645 3.843 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@@H+]1CC=CCC1 ZINC001313750924 1071084641 /nfs/dbraw/zinc/08/46/41/1071084641.db2.gz AYLJZWHANMQBNP-LJQANCHMSA-N 1 1 453.566 3.579 20 0 JHADMO CCN(Cc1cccs1)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001313751937 1071088042 /nfs/dbraw/zinc/08/80/42/1071088042.db2.gz JGKFRFNHYRBJDA-QHCPKHFHSA-N 1 1 473.668 3.734 20 0 JHADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314806870 1071094841 /nfs/dbraw/zinc/09/48/41/1071094841.db2.gz PFJIBESOSVQBRD-SFHVURJKSA-N 1 1 479.572 3.520 20 0 JHADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001314806870 1071094851 /nfs/dbraw/zinc/09/48/51/1071094851.db2.gz PFJIBESOSVQBRD-SFHVURJKSA-N 1 1 479.572 3.520 20 0 JHADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314807659 1071097500 /nfs/dbraw/zinc/09/75/00/1071097500.db2.gz VKICHQYWPADJSN-SIKLNZKXSA-N 1 1 462.038 3.698 20 0 JHADMO CN(CC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001314811972 1071107234 /nfs/dbraw/zinc/10/72/34/1071107234.db2.gz QQSFFIYMVQWIOZ-UHFFFAOYSA-N 1 1 498.672 3.751 20 0 JHADMO 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CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1CS(C)(=O)=O)c1cccc(OC)c1 ZINC001310412048 1071375296 /nfs/dbraw/zinc/37/52/96/1071375296.db2.gz MAYDZRYFEAAWIL-OAQYLSRUSA-N 1 1 451.564 3.584 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)C[C@@H]1C ZINC001313861706 1071375541 /nfs/dbraw/zinc/37/55/41/1071375541.db2.gz QTNZUCFXLQIKGI-LNLFQRSKSA-N 1 1 475.659 3.785 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C2CC2)C[C@H]1C ZINC001313862476 1071377546 /nfs/dbraw/zinc/37/75/46/1071377546.db2.gz BEOHKJYGBWAIOY-MVYHEMRASA-N 1 1 471.646 3.821 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862552 1071376967 /nfs/dbraw/zinc/37/69/67/1071376967.db2.gz HTRNJWRSTWNBQO-WOJBJXKFSA-N 1 1 494.644 3.574 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313863325 1071381471 /nfs/dbraw/zinc/38/14/71/1071381471.db2.gz CWLWBMYAEQHTAD-RTBURBONSA-N 1 1 463.630 3.717 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313863561 1071382551 /nfs/dbraw/zinc/38/25/51/1071382551.db2.gz WHPHTESNQFFPDY-HOTGVXAUSA-N 1 1 488.434 3.601 20 0 JHADMO COc1ccccc1CSc1ccccc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001310414533 1071377802 /nfs/dbraw/zinc/37/78/02/1071377802.db2.gz HPDNZPSGLRYHFV-UHFFFAOYSA-N 1 1 456.612 3.662 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@H]1C ZINC001313862787 1071378598 /nfs/dbraw/zinc/37/85/98/1071378598.db2.gz RUSCZSWOWQVZKK-HSALFYBXSA-N 1 1 486.636 3.783 20 0 JHADMO COC(=O)CCc1csc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC001310426583 1071385022 /nfs/dbraw/zinc/38/50/22/1071385022.db2.gz MBFIQRFNUQEBEB-HNNXBMFYSA-N 1 1 456.490 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313864106 1071385674 /nfs/dbraw/zinc/38/56/74/1071385674.db2.gz LUFYPLFTDSKTMT-STQMWFEESA-N 1 1 459.948 3.919 20 0 JHADMO 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20 0 JHADMO CNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314941540 1071393801 /nfs/dbraw/zinc/39/38/01/1071393801.db2.gz KCPNHBYDWSLHLS-IRLDBZIGSA-N 1 1 484.664 3.871 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314941539 1071393853 /nfs/dbraw/zinc/39/38/53/1071393853.db2.gz KCPNHBYDWSLHLS-IFMALSPDSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@H]1C ZINC001313864934 1071389017 /nfs/dbraw/zinc/38/90/17/1071389017.db2.gz ZLPZICDGSWEOFI-MSOLQXFVSA-N 1 1 458.676 3.721 20 0 JHADMO Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc(Br)c1=O ZINC001310435999 1071389341 /nfs/dbraw/zinc/38/93/41/1071389341.db2.gz RSYVPOLSRQAYNP-UHFFFAOYSA-N 1 1 453.768 3.541 20 0 JHADMO Cn1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc(Br)c1=O ZINC001310435999 1071389357 /nfs/dbraw/zinc/38/93/57/1071389357.db2.gz RSYVPOLSRQAYNP-UHFFFAOYSA-N 1 1 453.768 3.541 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001313866845 1071396065 /nfs/dbraw/zinc/39/60/65/1071396065.db2.gz QZQLGUJFKKAJJJ-CABCVRRESA-N 1 1 478.464 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313867224 1071399107 /nfs/dbraw/zinc/39/91/07/1071399107.db2.gz IMHHTSAQUUOSCA-YADHBBJMSA-N 1 1 482.673 3.851 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313867157 1071399258 /nfs/dbraw/zinc/39/92/58/1071399258.db2.gz MCMTVCJIXNQABT-HZPDHXFCSA-N 1 1 471.524 3.808 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314948066 1071409315 /nfs/dbraw/zinc/40/93/15/1071409315.db2.gz JTXVSINBBIZVCA-RTBURBONSA-N 1 1 495.697 3.927 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870111 1071412422 /nfs/dbraw/zinc/41/24/22/1071412422.db2.gz SCVPPFPQTDGABX-IRXDYDNUSA-N 1 1 458.598 3.734 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313870180 1071412518 /nfs/dbraw/zinc/41/25/18/1071412518.db2.gz SUIKDACCVYVCEL-WOJBJXKFSA-N 1 1 466.655 3.588 20 0 JHADMO COc1c(NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cccc1C(N)=O ZINC001310471590 1071414021 /nfs/dbraw/zinc/41/40/21/1071414021.db2.gz MXDSVHXTFNJKCU-UHFFFAOYSA-N 1 1 451.354 3.887 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313871645 1071415791 /nfs/dbraw/zinc/41/57/91/1071415791.db2.gz GWBPVSXORZTZKQ-MOPGFXCFSA-N 1 1 464.618 3.770 20 0 JHADMO 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 ZINC001313871874 1071419015 /nfs/dbraw/zinc/41/90/15/1071419015.db2.gz UMGIIKBCIWOPQZ-SLFFLAALSA-N 1 1 487.649 3.656 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313871954 1071420028 /nfs/dbraw/zinc/42/00/28/1071420028.db2.gz VYBGSCGCTDIWOI-MSOLQXFVSA-N 1 1 477.053 3.688 20 0 JHADMO 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 ZINC001313872504 1071422026 /nfs/dbraw/zinc/42/20/26/1071422026.db2.gz AXBDWFIZTTXADD-FHWLQOOXSA-N 1 1 498.569 3.799 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@H]1C ZINC001313873082 1071424874 /nfs/dbraw/zinc/42/48/74/1071424874.db2.gz YQQKSWXKJVFDOH-SJORKVTESA-N 1 1 470.643 3.889 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313873733 1071426339 /nfs/dbraw/zinc/42/63/39/1071426339.db2.gz LWAFQJWKPUQCKB-OALUTQOASA-N 1 1 456.038 3.808 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001313874524 1071428827 /nfs/dbraw/zinc/42/88/27/1071428827.db2.gz IOZMVNLPZYMETF-PMACEKPBSA-N 1 1 488.702 3.785 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001313874526 1071428838 /nfs/dbraw/zinc/42/88/38/1071428838.db2.gz IOZMVNLPZYMETF-VQTJNVASSA-N 1 1 488.702 3.785 20 0 JHADMO 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3.505 20 0 JHADMO 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 ZINC001313884977 1071465918 /nfs/dbraw/zinc/46/59/18/1071465918.db2.gz ONRLEVUYUODMEI-UWHLTILDSA-N 1 1 476.666 3.696 20 0 JHADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314976443 1071468930 /nfs/dbraw/zinc/46/89/30/1071468930.db2.gz GCNBVAFOOYNDFV-RZIGYZOXSA-N 1 1 496.700 3.884 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313886189 1071468928 /nfs/dbraw/zinc/46/89/28/1071468928.db2.gz MTBAFBIZEZCBFM-RBUKOAKNSA-N 1 1 459.038 3.633 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC001313886083 1071468966 /nfs/dbraw/zinc/46/89/66/1071468966.db2.gz ABYWGSLRFIWKKD-JOCHJYFZSA-N 1 1 458.695 3.828 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC001313886084 1071469097 /nfs/dbraw/zinc/46/90/97/1071469097.db2.gz ABYWGSLRFIWKKD-QFIPXVFZSA-N 1 1 458.695 3.828 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313886344 1071470782 /nfs/dbraw/zinc/47/07/82/1071470782.db2.gz SBKJBKLZCAURPO-RTBURBONSA-N 1 1 498.701 3.893 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCOCC2CC2)C1 ZINC001313889014 1071477845 /nfs/dbraw/zinc/47/78/45/1071477845.db2.gz IQPHRLUVJUHSJM-SFHVURJKSA-N 1 1 462.436 3.912 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001313889089 1071479200 /nfs/dbraw/zinc/47/92/00/1071479200.db2.gz JLIBKCABKXYTNO-UXHICEINSA-N 1 1 484.645 3.647 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001313891104 1071483952 /nfs/dbraw/zinc/48/39/52/1071483952.db2.gz RJUAEACMCYWJFL-FUHWJXTLSA-N 1 1 468.429 3.835 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001313891604 1071485366 /nfs/dbraw/zinc/48/53/66/1071485366.db2.gz YFWLJQIZIUJEIJ-GOTSBHOMSA-N 1 1 482.673 3.509 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001313891973 1071486346 /nfs/dbraw/zinc/48/63/46/1071486346.db2.gz JBSGZPWUULCRMW-ACIOBRDBSA-N 1 1 455.647 3.838 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001313891977 1071486421 /nfs/dbraw/zinc/48/64/21/1071486421.db2.gz JBSGZPWUULCRMW-PMVMPFDFSA-N 1 1 455.647 3.838 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313894089 1071492657 /nfs/dbraw/zinc/49/26/57/1071492657.db2.gz GTUFLCLXKJNNPS-LEWJYISDSA-N 1 1 488.702 3.965 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313894092 1071492679 /nfs/dbraw/zinc/49/26/79/1071492679.db2.gz GTUFLCLXKJNNPS-SFTDATJTSA-N 1 1 488.702 3.965 20 0 JHADMO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+](C)C3CCCCC3)C2)n1 ZINC001314985748 1071493027 /nfs/dbraw/zinc/49/30/27/1071493027.db2.gz SGEFKAJNBZWJNE-QFIPXVFZSA-N 1 1 498.720 3.919 20 0 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CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](CCOC)C2)C1 ZINC001313899640 1071508127 /nfs/dbraw/zinc/50/81/27/1071508127.db2.gz WUIJELMEIDYZCW-NJYVYQBISA-N 1 1 476.666 3.555 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313900188 1071509385 /nfs/dbraw/zinc/50/93/85/1071509385.db2.gz MICKSFVSXXQYIM-GGAORHGYSA-N 1 1 496.700 3.741 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001313900623 1071509424 /nfs/dbraw/zinc/50/94/24/1071509424.db2.gz QRAVKFZBZGKYFC-QRVBRYPASA-N 1 1 493.425 3.623 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314994404 1071511441 /nfs/dbraw/zinc/51/14/41/1071511441.db2.gz NEIGONAOCCYCQX-FGZHOGPDSA-N 1 1 482.673 3.638 20 0 JHADMO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001313903131 1071514880 /nfs/dbraw/zinc/51/48/80/1071514880.db2.gz MFNOJMYDWBQNNO-HXUWFJFHSA-N 1 1 491.478 3.634 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001313903131 1071514892 /nfs/dbraw/zinc/51/48/92/1071514892.db2.gz MFNOJMYDWBQNNO-HXUWFJFHSA-N 1 1 491.478 3.634 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313901800 1071512632 /nfs/dbraw/zinc/51/26/32/1071512632.db2.gz HBMBXPTYBIIXTF-TZIWHRDSSA-N 1 1 485.677 3.898 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314995861 1071513058 /nfs/dbraw/zinc/51/30/58/1071513058.db2.gz CEUIDOIZIUOCBW-IRLDBZIGSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313903066 1071514836 /nfs/dbraw/zinc/51/48/36/1071514836.db2.gz BLVGQLVZXMPKON-DFBJGRDBSA-N 1 1 473.618 3.588 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313904210 1071516734 /nfs/dbraw/zinc/51/67/34/1071516734.db2.gz SEGUCRSFEPKCKW-RBUKOAKNSA-N 1 1 459.038 3.776 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313903858 1071516766 /nfs/dbraw/zinc/51/67/66/1071516766.db2.gz FAYALEIPXHXSJI-BHIFYINESA-N 1 1 468.646 3.576 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314997801 1071516912 /nfs/dbraw/zinc/51/69/12/1071516912.db2.gz YINJIIJFCYODMM-YPAWHYETSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CCO)Cc1ccccc1 ZINC001313904463 1071518198 /nfs/dbraw/zinc/51/81/98/1071518198.db2.gz IEOQGNFDGQZWTM-XPWALMASSA-N 1 1 498.672 3.532 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313904652 1071518928 /nfs/dbraw/zinc/51/89/28/1071518928.db2.gz RRQCFWCJOJNLBO-LJQANCHMSA-N 1 1 481.563 3.852 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313904689 1071519223 /nfs/dbraw/zinc/51/92/23/1071519223.db2.gz KNIAXAHTVPYQPJ-UXPWSPDFSA-N 1 1 462.436 3.789 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313904687 1071519243 /nfs/dbraw/zinc/51/92/43/1071519243.db2.gz RYKQVMUSSQLJRG-UXHICEINSA-N 1 1 451.537 3.705 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313905066 1071520557 /nfs/dbraw/zinc/52/05/57/1071520557.db2.gz SQSAQHGNHXWBGI-DHIUTWEWSA-N 1 1 482.673 3.651 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001313906746 1071526029 /nfs/dbraw/zinc/52/60/29/1071526029.db2.gz ZQNBKOXTHYJDCF-OAQYLSRUSA-N 1 1 489.462 3.641 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906598 1071525103 /nfs/dbraw/zinc/52/51/03/1071525103.db2.gz ZWNZVJCNTUJANM-YADHBBJMSA-N 1 1 498.672 3.830 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315001812 1071525338 /nfs/dbraw/zinc/52/53/38/1071525338.db2.gz ODYTVSLACNKQPO-FGZHOGPDSA-N 1 1 466.674 3.536 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313906896 1071525673 /nfs/dbraw/zinc/52/56/73/1071525673.db2.gz SQAZGBYVXAGQFO-PTUXOGIPSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905720 1071522010 /nfs/dbraw/zinc/52/20/10/1071522010.db2.gz QWFPYRFIMWGEOB-JMJGKCIBSA-N 1 1 459.610 3.818 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313905640 1071522090 /nfs/dbraw/zinc/52/20/90/1071522090.db2.gz PXBGPIFCBYFOKS-KCZVDYSFSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001313907309 1071527550 /nfs/dbraw/zinc/52/75/50/1071527550.db2.gz BQBCZXQUEGZIAR-CTNGQTDRSA-N 1 1 459.660 3.849 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313907571 1071528039 /nfs/dbraw/zinc/52/80/39/1071528039.db2.gz IHTGNJGKXGLKEC-DOTOQJQBSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 ZINC001313907586 1071528098 /nfs/dbraw/zinc/52/80/98/1071528098.db2.gz IJYPXCHMNSUCIE-WMZOPIPTSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313908210 1071529588 /nfs/dbraw/zinc/52/95/88/1071529588.db2.gz BLVSRNBTDSNQCE-UYAOXDASSA-N 1 1 470.643 3.749 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908380 1071530250 /nfs/dbraw/zinc/53/02/50/1071530250.db2.gz NEJZCKWEOSUXMK-UYAOXDASSA-N 1 1 486.642 3.566 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001313910819 1071536372 /nfs/dbraw/zinc/53/63/72/1071536372.db2.gz HNBYUAFBMOTZEG-NJYVYQBISA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909356 1071532553 /nfs/dbraw/zinc/53/25/53/1071532553.db2.gz OLCSTLUVVXRKOO-GOTSBHOMSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001313910822 1071536414 /nfs/dbraw/zinc/53/64/14/1071536414.db2.gz HNOVPCCEPMKGKB-FGZHOGPDSA-N 1 1 470.637 3.623 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001313909758 1071533341 /nfs/dbraw/zinc/53/33/41/1071533341.db2.gz CQCMABIAIRJHKC-QHAWAJNXSA-N 1 1 459.660 3.560 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC ZINC001313910150 1071534629 /nfs/dbraw/zinc/53/46/29/1071534629.db2.gz VLFIKSYZFWRUIP-GOSISDBHSA-N 1 1 450.425 3.973 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313910586 1071535751 /nfs/dbraw/zinc/53/57/51/1071535751.db2.gz XCUCBWOOZDRONH-NHCUHLMSSA-N 1 1 456.635 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001313911490 1071537757 /nfs/dbraw/zinc/53/77/57/1071537757.db2.gz CHLSRIBOPHIKRH-MOPGFXCFSA-N 1 1 458.611 3.702 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912178 1071539560 /nfs/dbraw/zinc/53/95/60/1071539560.db2.gz MUIRNYBLPMQMCE-NJDAHSKKSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001313912385 1071540164 /nfs/dbraw/zinc/54/01/64/1071540164.db2.gz IKCMVSCOLMCGDK-QFIPXVFZSA-N 1 1 451.619 3.718 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313912677 1071540535 /nfs/dbraw/zinc/54/05/35/1071540535.db2.gz WJTWIFMWPYQEKE-NRFANRHFSA-N 1 1 461.614 3.906 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C ZINC001313914660 1071548055 /nfs/dbraw/zinc/54/80/55/1071548055.db2.gz SOPJWAYSXHZGMF-NRFANRHFSA-N 1 1 454.667 3.809 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001315024126 1071546471 /nfs/dbraw/zinc/54/64/71/1071546471.db2.gz JZQZMYDOXUDXBK-UHFFFAOYSA-N 1 1 488.627 3.622 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001313913469 1071543680 /nfs/dbraw/zinc/54/36/80/1071543680.db2.gz POXJUBHCCVHDMW-FGZHOGPDSA-N 1 1 454.619 3.777 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001315022114 1071544135 /nfs/dbraw/zinc/54/41/35/1071544135.db2.gz YPXBYAQLLRMBKT-UHFFFAOYSA-N 1 1 463.630 3.514 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001315022284 1071544308 /nfs/dbraw/zinc/54/43/08/1071544308.db2.gz RUFAOGFSTGDLCF-UHFFFAOYSA-N 1 1 464.614 3.721 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914916 1071549309 /nfs/dbraw/zinc/54/93/09/1071549309.db2.gz OXRURTUQAHXLOH-PCCBWWKXSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915578 1071550807 /nfs/dbraw/zinc/55/08/07/1071550807.db2.gz YIXWMINEGRHLEN-BHIFYINESA-N 1 1 490.693 3.740 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915809 1071551540 /nfs/dbraw/zinc/55/15/40/1071551540.db2.gz SWSSBFDKWODIFJ-DNVFCKCGSA-N 1 1 455.594 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919586 1071557522 /nfs/dbraw/zinc/55/75/22/1071557522.db2.gz CRGUVOOMQOUIIE-PKOBYXMFSA-N 1 1 480.629 3.514 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919583 1071557732 /nfs/dbraw/zinc/55/77/32/1071557732.db2.gz CRGUVOOMQOUIIE-IEBWSBKVSA-N 1 1 480.629 3.514 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920696 1071559534 /nfs/dbraw/zinc/55/95/34/1071559534.db2.gz LORUHLZVPIILAB-UYAOXDASSA-N 1 1 494.656 3.904 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921662 1071562391 /nfs/dbraw/zinc/56/23/91/1071562391.db2.gz SGLWPSGZYKIECY-OXJNMPFZSA-N 1 1 467.431 3.522 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4OC)n3CCC(C)C)CC2)CC1 ZINC001313921895 1071563165 /nfs/dbraw/zinc/56/31/65/1071563165.db2.gz ASSUFGHLVVSYEQ-UHFFFAOYSA-N 1 1 482.673 3.770 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3CCCOC(C)C)CC2)CC1 ZINC001313921931 1071563306 /nfs/dbraw/zinc/56/33/06/1071563306.db2.gz BFJTZUCXEJPCCJ-UHFFFAOYSA-N 1 1 482.673 3.531 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922323 1071563642 /nfs/dbraw/zinc/56/36/42/1071563642.db2.gz VNJSSGRSKWPUMA-IBGZPJMESA-N 1 1 482.629 3.526 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922337 1071563836 /nfs/dbraw/zinc/56/38/36/1071563836.db2.gz VTIHYPMTPPHSEK-RTWAWAEBSA-N 1 1 470.662 3.615 20 0 JHADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313922157 1071563898 /nfs/dbraw/zinc/56/38/98/1071563898.db2.gz SEIZFKRPPDSQCB-QHCPKHFHSA-N 1 1 482.673 3.653 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC[C@@](C)(CC)O3)CC2)CC1 ZINC001313923776 1071568238 /nfs/dbraw/zinc/56/82/38/1071568238.db2.gz SROCMNPYYDADCC-WNCULLNHSA-N 1 1 488.721 3.595 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315036918 1071569800 /nfs/dbraw/zinc/56/98/00/1071569800.db2.gz VBJAFXDWQBLNLX-BGYRXZFFSA-N 1 1 479.673 3.766 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925339 1071572700 /nfs/dbraw/zinc/57/27/00/1071572700.db2.gz OMADTJQEKZWSMR-NRFANRHFSA-N 1 1 454.663 3.673 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCSC)CC1 ZINC001313926288 1071576288 /nfs/dbraw/zinc/57/62/88/1071576288.db2.gz WSCVTIICZHEKCE-QGZVFWFLSA-N 1 1 469.074 3.953 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313926777 1071577685 /nfs/dbraw/zinc/57/76/85/1071577685.db2.gz YCLFFTCGESVDGT-MOPGFXCFSA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927186 1071579418 /nfs/dbraw/zinc/57/94/18/1071579418.db2.gz HLEGFJKPNJWCEK-REWPJTCUSA-N 1 1 472.653 3.610 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927611 1071580732 /nfs/dbraw/zinc/58/07/32/1071580732.db2.gz KQTFLJCCFVLEDR-ZBLYBZFDSA-N 1 1 486.680 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928007 1071582053 /nfs/dbraw/zinc/58/20/53/1071582053.db2.gz LDZCOVDFOSDQIH-KRWDZBQOSA-N 1 1 479.467 3.954 20 0 JHADMO CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928341 1071583798 /nfs/dbraw/zinc/58/37/98/1071583798.db2.gz ATMREGRGCPORSY-OFNKIYASSA-N 1 1 454.663 3.952 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313928587 1071583859 /nfs/dbraw/zinc/58/38/59/1071583859.db2.gz BTFVBNAMYXFVQR-DLBZAZTESA-N 1 1 455.525 3.600 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001313928959 1071585470 /nfs/dbraw/zinc/58/54/70/1071585470.db2.gz DXXZSMOLKRWRFD-PMACEKPBSA-N 1 1 491.080 3.713 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929424 1071586867 /nfs/dbraw/zinc/58/68/67/1071586867.db2.gz RRWQAZGHZHIFII-MRXNPFEDSA-N 1 1 484.533 3.824 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSC(F)(F)F)C[C@H]1C ZINC001313929194 1071585996 /nfs/dbraw/zinc/58/59/96/1071585996.db2.gz FDNLTMQUGVBPOA-CQSZACIVSA-N 1 1 490.983 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@H]2CCCO2)C[C@@H]1C ZINC001313929853 1071588160 /nfs/dbraw/zinc/58/81/60/1071588160.db2.gz ATCYNFPJZJHPDJ-DLBZAZTESA-N 1 1 498.491 3.885 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2scnc2C)C[C@H]1C ZINC001313930243 1071588753 /nfs/dbraw/zinc/58/87/53/1071588753.db2.gz ANWZPXWPRDTEQI-CYBMUJFWSA-N 1 1 464.437 3.574 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930143 1071588931 /nfs/dbraw/zinc/58/89/31/1071588931.db2.gz QCUDWVNPHMAUCP-YADHBBJMSA-N 1 1 485.696 3.747 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001313930282 1071589263 /nfs/dbraw/zinc/58/92/63/1071589263.db2.gz BFACGETYYXIKIV-MRXNPFEDSA-N 1 1 473.419 3.761 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313930891 1071590457 /nfs/dbraw/zinc/59/04/57/1071590457.db2.gz DCTMCYVSAYWESO-FDDCHVKYSA-N 1 1 481.563 3.916 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001313932370 1071595141 /nfs/dbraw/zinc/59/51/41/1071595141.db2.gz VGXGZWWFNSEAHP-ZJOUEHCJSA-N 1 1 489.064 3.860 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313932533 1071595360 /nfs/dbraw/zinc/59/53/60/1071595360.db2.gz LGQPGBQAIRAAHI-HNNXBMFYSA-N 1 1 453.418 3.697 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313933108 1071597031 /nfs/dbraw/zinc/59/70/31/1071597031.db2.gz NGJAVKQGNSUEDF-IBGZPJMESA-N 1 1 459.038 3.922 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931769 1071592635 /nfs/dbraw/zinc/59/26/35/1071592635.db2.gz ZRUGUIBBBRWNIC-FDFHNCONSA-N 1 1 456.704 3.534 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCS2)C[C@H]1C ZINC001313933616 1071598505 /nfs/dbraw/zinc/59/85/05/1071598505.db2.gz LTCOVEDPAHSZIR-QRWLVFNGSA-N 1 1 467.481 3.862 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313933933 1071600415 /nfs/dbraw/zinc/60/04/15/1071600415.db2.gz PEIXKEZQBWQDPM-IVZQSRNASA-N 1 1 492.393 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001313934331 1071601556 /nfs/dbraw/zinc/60/15/56/1071601556.db2.gz RHZWCKYXUDKYOI-LIRRHRJNSA-N 1 1 466.399 3.802 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313934237 1071601800 /nfs/dbraw/zinc/60/18/00/1071601800.db2.gz QSIBLCJBRCSAHD-CVEARBPZSA-N 1 1 466.399 3.804 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313934646 1071602295 /nfs/dbraw/zinc/60/22/95/1071602295.db2.gz UOTYGTZHOXSOHC-HNNXBMFYSA-N 1 1 453.418 3.555 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313934493 1071602306 /nfs/dbraw/zinc/60/23/06/1071602306.db2.gz AKRCEMZUVQUYSH-KRWDZBQOSA-N 1 1 479.442 3.863 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCO2)C[C@H]1C ZINC001313934696 1071603069 /nfs/dbraw/zinc/60/30/69/1071603069.db2.gz VBMYPVMXYRCYST-CABCVRRESA-N 1 1 452.422 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001313935433 1071604856 /nfs/dbraw/zinc/60/48/56/1071604856.db2.gz WIFOHOYYOLFEMH-CRAIPNDOSA-N 1 1 467.456 3.638 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001313935456 1071606006 /nfs/dbraw/zinc/60/60/06/1071606006.db2.gz WVJAKZLYVZJQOJ-SFHVURJKSA-N 1 1 490.599 3.726 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001313935815 1071607217 /nfs/dbraw/zinc/60/72/17/1071607217.db2.gz ZHPJYNCRPGTKJR-FOGNVHKLSA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001313935815 1071607223 /nfs/dbraw/zinc/60/72/23/1071607223.db2.gz ZHPJYNCRPGTKJR-FOGNVHKLSA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313936561 1071609056 /nfs/dbraw/zinc/60/90/56/1071609056.db2.gz GDIPHDQHHVPCSO-UZLBHIALSA-N 1 1 478.435 3.870 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2c[nH]nc2C)C[C@H]1C ZINC001313937883 1071611425 /nfs/dbraw/zinc/61/14/25/1071611425.db2.gz WRUSRQYVQUAZLY-MRXNPFEDSA-N 1 1 458.010 3.802 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313940959 1071615517 /nfs/dbraw/zinc/61/55/17/1071615517.db2.gz QQXOVPQZMBLXSA-LJQANCHMSA-N 1 1 455.628 3.939 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313938533 1071612227 /nfs/dbraw/zinc/61/22/27/1071612227.db2.gz KFMHDKNSYIKYQC-MRXNPFEDSA-N 1 1 478.494 3.999 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313939099 1071612624 /nfs/dbraw/zinc/61/26/24/1071612624.db2.gz BRSGBZMJONANRV-MRXNPFEDSA-N 1 1 452.525 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC001313938986 1071612842 /nfs/dbraw/zinc/61/28/42/1071612842.db2.gz ZFVMEMSKXRUZIS-JXFKEZNVSA-N 1 1 451.974 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313940005 1071613939 /nfs/dbraw/zinc/61/39/39/1071613939.db2.gz JJLIQGYMTRJXPU-LJQANCHMSA-N 1 1 486.462 3.643 20 0 JHADMO 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 1071620904 /nfs/dbraw/zinc/62/09/04/1071620904.db2.gz KHQYNDDHCAMNLJ-NRSPTQNISA-N 1 1 484.645 3.528 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC001313942543 1071620913 /nfs/dbraw/zinc/62/09/13/1071620913.db2.gz JRGSWPLPTLQMDF-QFIPXVFZSA-N 1 1 465.646 3.753 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001313943283 1071622579 /nfs/dbraw/zinc/62/25/79/1071622579.db2.gz RFOAOSWCTIPXME-DUTUXMCTSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001313943283 1071622583 /nfs/dbraw/zinc/62/25/83/1071622583.db2.gz RFOAOSWCTIPXME-DUTUXMCTSA-N 1 1 473.687 3.596 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943346 1071622632 /nfs/dbraw/zinc/62/26/32/1071622632.db2.gz REFLGTHJXPGUJE-QFIPXVFZSA-N 1 1 460.711 3.779 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943309 1071622643 /nfs/dbraw/zinc/62/26/43/1071622643.db2.gz RKJBYSKDAGNKNV-SGNDLWITSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943309 1071622644 /nfs/dbraw/zinc/62/26/44/1071622644.db2.gz RKJBYSKDAGNKNV-SGNDLWITSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(C)C)c2)C[C@H]1C ZINC001313943636 1071623867 /nfs/dbraw/zinc/62/38/67/1071623867.db2.gz UHFRNFJTQZJWSY-SFLYRZDNSA-N 1 1 471.646 3.616 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@H]1C ZINC001313946814 1071629748 /nfs/dbraw/zinc/62/97/48/1071629748.db2.gz CMHCYFURLVQFGJ-JXALWOEJSA-N 1 1 459.610 3.978 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313947131 1071630913 /nfs/dbraw/zinc/63/09/13/1071630913.db2.gz FSISTPUARPCIBX-LJQANCHMSA-N 1 1 452.578 3.899 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947887 1071633001 /nfs/dbraw/zinc/63/30/01/1071633001.db2.gz DDYFLNXZXLHFLE-SFHVURJKSA-N 1 1 470.609 3.735 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)CC1 ZINC001313948676 1071634523 /nfs/dbraw/zinc/63/45/23/1071634523.db2.gz FOJOAZPZTYBDQP-KRWDZBQOSA-N 1 1 478.483 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001313949004 1071635183 /nfs/dbraw/zinc/63/51/83/1071635183.db2.gz OAIPAYZPNLXQES-GOSISDBHSA-N 1 1 470.021 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313949530 1071636972 /nfs/dbraw/zinc/63/69/72/1071636972.db2.gz JOCFSLOQOQFPEW-LJQANCHMSA-N 1 1 473.463 3.708 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCCc2cccc(C)n2)C[C@@H]1C ZINC001313950055 1071637573 /nfs/dbraw/zinc/63/75/73/1071637573.db2.gz SRTMJJZREKKKSW-FQEVSTJZSA-N 1 1 452.578 3.863 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313950609 1071639318 /nfs/dbraw/zinc/63/93/18/1071639318.db2.gz AKXSSYOPGKWDAX-OALUTQOASA-N 1 1 492.510 3.556 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951030 1071640692 /nfs/dbraw/zinc/64/06/92/1071640692.db2.gz CTCUGPHRZCVRDA-WPFOTENUSA-N 1 1 454.663 3.643 20 0 JHADMO 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 1071641151 /nfs/dbraw/zinc/64/11/51/1071641151.db2.gz ZSSSYCFASAMUTR-ZSYWTGECSA-N 1 1 489.690 3.839 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313951334 1071641692 /nfs/dbraw/zinc/64/16/92/1071641692.db2.gz GFWDJXYQJPGKDN-RTBURBONSA-N 1 1 492.510 3.936 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951720 1071643028 /nfs/dbraw/zinc/64/30/28/1071643028.db2.gz VMBGLQDNCNFZJF-RTBURBONSA-N 1 1 461.054 3.944 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951638 1071643068 /nfs/dbraw/zinc/64/30/68/1071643068.db2.gz AMMNAKHUBLGKGI-FGZHOGPDSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313951829 1071643769 /nfs/dbraw/zinc/64/37/69/1071643769.db2.gz KYSBKLUXWDQKKR-HDICACEKSA-N 1 1 478.483 3.546 20 0 JHADMO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952203 1071644314 /nfs/dbraw/zinc/64/43/14/1071644314.db2.gz YFBMCLUMKVJQBQ-GMAHTHKFSA-N 1 1 484.664 3.914 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N(C)Cc2cccc(Br)c2)CC1 ZINC001313952771 1071646496 /nfs/dbraw/zinc/64/64/96/1071646496.db2.gz CBVJPNYNXPFPKU-UHFFFAOYSA-N 1 1 475.479 3.972 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952595 1071646512 /nfs/dbraw/zinc/64/65/12/1071646512.db2.gz RYMQKOYTXYLPEY-SFYKDHMMSA-N 1 1 476.616 3.879 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313953318 1071648410 /nfs/dbraw/zinc/64/84/10/1071648410.db2.gz XMKMKSVQOWEGCH-YTFSRNRJSA-N 1 1 462.727 3.953 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3csc(C)n3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313953462 1071648967 /nfs/dbraw/zinc/64/89/67/1071648967.db2.gz FZXJBUPCYLGZOT-UHFFFAOYSA-N 1 1 457.692 3.598 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313954192 1071650686 /nfs/dbraw/zinc/65/06/86/1071650686.db2.gz AXDKMLRXQSXUHU-FQEVSTJZSA-N 1 1 474.694 3.613 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)c2ccccc2C)CC1 ZINC001313954455 1071651700 /nfs/dbraw/zinc/65/17/00/1071651700.db2.gz NSWMEEZIVOFFPZ-QFIPXVFZSA-N 1 1 464.662 3.602 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313954738 1071652450 /nfs/dbraw/zinc/65/24/50/1071652450.db2.gz PFBLKWVCJNFEBI-NRFANRHFSA-N 1 1 471.719 3.726 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954828 1071652872 /nfs/dbraw/zinc/65/28/72/1071652872.db2.gz QCULZOITKOAOTC-QFQXNSOFSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313954901 1071653753 /nfs/dbraw/zinc/65/37/53/1071653753.db2.gz WXPKNGNCUSOLPW-QHCPKHFHSA-N 1 1 486.730 3.833 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313955017 1071654214 /nfs/dbraw/zinc/65/42/14/1071654214.db2.gz RQITWHGPCPJVTA-NRFANRHFSA-N 1 1 453.679 3.939 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313955318 1071654842 /nfs/dbraw/zinc/65/48/42/1071654842.db2.gz RLJLOHDWYHVJJJ-OAQYLSRUSA-N 1 1 477.657 3.567 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955207 1071654865 /nfs/dbraw/zinc/65/48/65/1071654865.db2.gz QJNAHHRLOFCNST-REWPJTCUSA-N 1 1 472.653 3.609 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313955844 1071656589 /nfs/dbraw/zinc/65/65/89/1071656589.db2.gz IVADBBOSSQYSPO-ACRUOGEOSA-N 1 1 474.644 3.903 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958089 1071662504 /nfs/dbraw/zinc/66/25/04/1071662504.db2.gz TVWZPJATRNKEHW-SIKLNZKXSA-N 1 1 491.775 3.629 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956557 1071658060 /nfs/dbraw/zinc/65/80/60/1071658060.db2.gz HROUFXRUBLIWOU-OAQYLSRUSA-N 1 1 486.709 3.785 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956870 1071658765 /nfs/dbraw/zinc/65/87/65/1071658765.db2.gz OEJYBEHNGXEQHL-NRFANRHFSA-N 1 1 482.076 3.827 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001313957352 1071659981 /nfs/dbraw/zinc/65/99/81/1071659981.db2.gz TZRWSYNXJJTCGT-JOCHJYFZSA-N 1 1 468.690 3.897 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC001313957372 1071660098 /nfs/dbraw/zinc/66/00/98/1071660098.db2.gz UIIJKXLSCJYDIV-DEOSSOPVSA-N 1 1 468.690 3.862 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313957603 1071660765 /nfs/dbraw/zinc/66/07/65/1071660765.db2.gz QTYMAPOXWGOVGA-BHDDXSALSA-N 1 1 456.654 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313958175 1071663058 /nfs/dbraw/zinc/66/30/58/1071663058.db2.gz VBOMLLPFSHRLLH-RBZQAINGSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313958203 1071663502 /nfs/dbraw/zinc/66/35/02/1071663502.db2.gz PSOKPAULQUSSGI-UHFFFAOYSA-N 1 1 454.022 3.658 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313958475 1071664102 /nfs/dbraw/zinc/66/41/02/1071664102.db2.gz XCIKGDCSGURNBY-YADARESESA-N 1 1 459.708 3.534 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3csc(C)n3)nnc2N(C)c2ccc(C)cc2)CC1 ZINC001313959877 1071667958 /nfs/dbraw/zinc/66/79/58/1071667958.db2.gz CABKCICUOCOMGT-UHFFFAOYSA-N 1 1 453.660 3.738 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313960590 1071670447 /nfs/dbraw/zinc/67/04/47/1071670447.db2.gz KPXWTLIMOZTKGM-UHFFFAOYSA-N 1 1 461.054 3.774 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313961008 1071671607 /nfs/dbraw/zinc/67/16/07/1071671607.db2.gz OMVOMXXTSOUOHR-UHFFFAOYSA-N 1 1 484.501 3.561 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313961539 1071672740 /nfs/dbraw/zinc/67/27/40/1071672740.db2.gz ULJOYISSJOQPAB-DHIUTWEWSA-N 1 1 486.730 3.832 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCOC(C)C)c2ccccc2c1=O ZINC001313966093 1071685187 /nfs/dbraw/zinc/68/51/87/1071685187.db2.gz GYTOKQFGXWJXGK-UHFFFAOYSA-N 1 1 495.672 3.801 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001313975068 1071704475 /nfs/dbraw/zinc/70/44/75/1071704475.db2.gz YSEMJBKBPKUSOA-QFIPXVFZSA-N 1 1 480.682 3.803 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001313996111 1071732662 /nfs/dbraw/zinc/73/26/62/1071732662.db2.gz JQQLIXGENAZCEK-QFIPXVFZSA-N 1 1 497.688 3.706 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001314008516 1071744749 /nfs/dbraw/zinc/74/47/49/1071744749.db2.gz OBQYVCFPUUGWLH-NRFANRHFSA-N 1 1 498.672 3.729 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314022808 1071776940 /nfs/dbraw/zinc/77/69/40/1071776940.db2.gz QZRSQRVMICPHFD-NRFANRHFSA-N 1 1 477.613 3.529 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001314023166 1071777976 /nfs/dbraw/zinc/77/79/76/1071777976.db2.gz IQTUXMXUUBPOLG-OAQYLSRUSA-N 1 1 498.672 3.917 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314024002 1071780893 /nfs/dbraw/zinc/78/08/93/1071780893.db2.gz OOVABNUHFRIDDK-JOCHJYFZSA-N 1 1 484.645 3.564 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001314030467 1071802156 /nfs/dbraw/zinc/80/21/56/1071802156.db2.gz CSGDRXYGNAEKMO-IBGZPJMESA-N 1 1 490.555 3.523 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001314037079 1071829458 /nfs/dbraw/zinc/82/94/58/1071829458.db2.gz JVDZMSTULZPQJI-DHIUTWEWSA-N 1 1 486.636 3.987 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314037703 1071831365 /nfs/dbraw/zinc/83/13/65/1071831365.db2.gz AQSOAIYNTGOVKA-ACESQOTJSA-N 1 1 490.693 3.993 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001314042674 1071849546 /nfs/dbraw/zinc/84/95/46/1071849546.db2.gz COPQVOLQKKCZPV-HXUWFJFHSA-N 1 1 499.635 3.818 20 0 JHADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314042648 1071849581 /nfs/dbraw/zinc/84/95/81/1071849581.db2.gz WRNFNMCXBBVMEF-NRFANRHFSA-N 1 1 474.694 3.810 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001314042803 1071850130 /nfs/dbraw/zinc/85/01/30/1071850130.db2.gz FNXOWVBUSTUIOM-HZPDHXFCSA-N 1 1 467.456 3.780 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001314043961 1071854769 /nfs/dbraw/zinc/85/47/69/1071854769.db2.gz HNQRBXQRTIDCFN-IRLDBZIGSA-N 1 1 488.652 3.589 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001314045103 1071858684 /nfs/dbraw/zinc/85/86/84/1071858684.db2.gz YMYJYNHPLLFFPD-VXKWHMMOSA-N 1 1 484.645 3.673 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)CC1 ZINC001314048551 1071868931 /nfs/dbraw/zinc/86/89/31/1071868931.db2.gz QQXJSARDITYIGQ-UHFFFAOYSA-N 1 1 456.418 3.835 20 0 JHADMO CCOC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001314056457 1071885137 /nfs/dbraw/zinc/88/51/37/1071885137.db2.gz RKOGJPRZSBNMTM-UHFFFAOYSA-N 1 1 495.672 3.735 20 0 JHADMO CCOC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314057006 1071886271 /nfs/dbraw/zinc/88/62/71/1071886271.db2.gz ZKJPAOJOAOYORW-IBGZPJMESA-N 1 1 475.609 3.501 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001314063062 1071903221 /nfs/dbraw/zinc/90/32/21/1071903221.db2.gz NPGJPRXKBBNUHX-WOJBJXKFSA-N 1 1 482.633 3.886 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001314063060 1071903239 /nfs/dbraw/zinc/90/32/39/1071903239.db2.gz NPGJPRXKBBNUHX-UXHICEINSA-N 1 1 482.633 3.886 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314073636 1071927239 /nfs/dbraw/zinc/92/72/39/1071927239.db2.gz FRYIUHHUPDQSES-RXFWQSSRSA-N 1 1 471.646 3.955 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083053 1071947861 /nfs/dbraw/zinc/94/78/61/1071947861.db2.gz GZYRCYJTFXXQPR-NLFFAJNJSA-N 1 1 477.600 3.965 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001314081286 1071943605 /nfs/dbraw/zinc/94/36/05/1071943605.db2.gz XHJMBWSPUXLVNE-MHECFPHRSA-N 1 1 461.557 3.668 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083734 1071950013 /nfs/dbraw/zinc/95/00/13/1071950013.db2.gz SNWAWCANESBKGD-CPJSRVTESA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3csc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC001314086537 1071957277 /nfs/dbraw/zinc/95/72/77/1071957277.db2.gz MEIHBSOSVFEIKG-IIBYNOLFSA-N 1 1 498.491 3.875 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCCn2cc[nH+]c2C)CCOC1 ZINC001314087421 1071960268 /nfs/dbraw/zinc/96/02/68/1071960268.db2.gz VHSPACHSAVVUEH-FQEVSTJZSA-N 1 1 499.563 3.637 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314099389 1071981639 /nfs/dbraw/zinc/98/16/39/1071981639.db2.gz KGABBXUZSWQYPA-QFQXNSOFSA-N 1 1 455.647 3.997 20 0 JHADMO CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314104807 1071993292 /nfs/dbraw/zinc/99/32/92/1071993292.db2.gz KHCYVXYASLWTLN-JOCHJYFZSA-N 1 1 471.568 3.894 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001314107015 1071998366 /nfs/dbraw/zinc/99/83/66/1071998366.db2.gz YPIFZIPCSRCMPF-RZPFDVGOSA-N 1 1 471.646 3.627 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001314107014 1071998424 /nfs/dbraw/zinc/99/84/24/1071998424.db2.gz YPIFZIPCSRCMPF-POGFHVCPSA-N 1 1 471.646 3.627 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](CC)O[C@@H](C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314107007 1071998520 /nfs/dbraw/zinc/99/85/20/1071998520.db2.gz YNSTXELUQKZKER-DKYNXLSCSA-N 1 1 492.064 3.890 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(OC)cc2)CCOC1 ZINC001314113572 1072009892 /nfs/dbraw/zinc/00/98/92/1072009892.db2.gz VBRQZQWARWPHRN-AREMUKBSSA-N 1 1 471.646 3.544 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001314115377 1072013104 /nfs/dbraw/zinc/01/31/04/1072013104.db2.gz ZIIJISNAPXXHMX-KNQAVFIVSA-N 1 1 455.594 3.820 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@](C)(O)[C@H](C)CC)CCOC1 ZINC001314138024 1072049394 /nfs/dbraw/zinc/04/93/94/1072049394.db2.gz QXCYYCPLIUJMTB-KYXKYNKESA-N 1 1 491.702 3.672 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)CCCOC)cc1 ZINC001305927689 1068225377 /nfs/dbraw/zinc/22/53/77/1068225377.db2.gz FVFPOXLTPJYZNP-XLIONFOSSA-N 1 1 469.552 3.632 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001305928575 1068227103 /nfs/dbraw/zinc/22/71/03/1068227103.db2.gz JFCYXXBUYVVWDH-BGYRXZFFSA-N 1 1 456.704 3.864 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305928575 1068227114 /nfs/dbraw/zinc/22/71/14/1068227114.db2.gz JFCYXXBUYVVWDH-BGYRXZFFSA-N 1 1 456.704 3.864 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305928575 1068227130 /nfs/dbraw/zinc/22/71/30/1068227130.db2.gz JFCYXXBUYVVWDH-BGYRXZFFSA-N 1 1 456.704 3.864 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928874 1068227873 /nfs/dbraw/zinc/22/78/73/1068227873.db2.gz MBZCPSSEPKWTSA-NHCUHLMSSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001305942389 1068253732 /nfs/dbraw/zinc/25/37/32/1068253732.db2.gz HLCBOZJDDMIKTI-UHFFFAOYSA-N 1 1 481.689 3.966 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccnc2OCCOC)cc1 ZINC001305944484 1068256927 /nfs/dbraw/zinc/25/69/27/1068256927.db2.gz BIGCJYOSCCZBJA-UHFFFAOYSA-N 1 1 478.641 3.897 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@](C)(O)CCOC)cc1 ZINC001305948370 1068268901 /nfs/dbraw/zinc/26/89/01/1068268901.db2.gz UEZMHZYDWBVBFX-VWLOTQADSA-N 1 1 469.655 3.679 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001305948666 1068270089 /nfs/dbraw/zinc/27/00/89/1068270089.db2.gz CDCPYOCZPNADAW-NKKJXINNSA-N 1 1 455.647 3.727 20 0 JHADMO CCc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCN2CC[NH+](CC)CC2)cc1 ZINC001305949575 1068272048 /nfs/dbraw/zinc/27/20/48/1068272048.db2.gz MTPOQQNOUSUQKO-OAQYLSRUSA-N 1 1 454.663 3.539 20 0 JHADMO CCc1ccc([C@@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC[N@H+](C)[C@@H](C)CC)CCO2)cc1 ZINC001305954701 1068280905 /nfs/dbraw/zinc/28/09/05/1068280905.db2.gz NCMCBCCVDIYFNB-REWPJTCUSA-N 1 1 491.640 3.796 20 0 JHADMO CCc1ccccc1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305972278 1068307460 /nfs/dbraw/zinc/30/74/60/1068307460.db2.gz AJDDMIDGPBMYNH-UHFFFAOYSA-N 1 1 470.662 3.615 20 0 JHADMO CCc1ccccc1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305972278 1068307481 /nfs/dbraw/zinc/30/74/81/1068307481.db2.gz AJDDMIDGPBMYNH-UHFFFAOYSA-N 1 1 470.662 3.615 20 0 JHADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1 ZINC001305972849 1068307949 /nfs/dbraw/zinc/30/79/49/1068307949.db2.gz ZKFOZIIUQQXIRF-UHFFFAOYSA-N 1 1 480.016 3.893 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cnc(C)s1 ZINC001305977591 1068317951 /nfs/dbraw/zinc/31/79/51/1068317951.db2.gz CCPBGGDZNYXUGS-KDURUIRLSA-N 1 1 484.670 3.778 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cnc(C)s1 ZINC001305977591 1068317964 /nfs/dbraw/zinc/31/79/64/1068317964.db2.gz CCPBGGDZNYXUGS-KDURUIRLSA-N 1 1 484.670 3.778 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305983769 1068330789 /nfs/dbraw/zinc/33/07/89/1068330789.db2.gz QFEGZJQBCUDSTI-NJYVYQBISA-N 1 1 473.687 3.718 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nccn1C(F)F ZINC001305985598 1068335782 /nfs/dbraw/zinc/33/57/82/1068335782.db2.gz WNCQCEOTLPLCJF-QZTJIDSGSA-N 1 1 473.572 3.978 20 0 JHADMO CCc1cnc(CN(C)c2nnc(-c3cccc(OC)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)s1 ZINC001305995578 1068358947 /nfs/dbraw/zinc/35/89/47/1068358947.db2.gz LOKDROHMTATOHE-IBGZPJMESA-N 1 1 483.686 3.635 20 0 JHADMO CCc1cnc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)s1 ZINC001305996381 1068361118 /nfs/dbraw/zinc/36/11/18/1068361118.db2.gz SLNQWAIBKRMIBC-SFHVURJKSA-N 1 1 473.716 3.612 20 0 JHADMO 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 1068378026 /nfs/dbraw/zinc/37/80/26/1068378026.db2.gz AKKLJHGMIVMXHC-HNJRGHQBSA-N 1 1 476.691 3.806 20 0 JHADMO 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 1068378189 /nfs/dbraw/zinc/37/81/89/1068378189.db2.gz AKKLJHGMIVMXHC-KVPLUYHFSA-N 1 1 476.691 3.806 20 0 JHADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+]2CC)s1 ZINC001306006219 1068384705 /nfs/dbraw/zinc/38/47/05/1068384705.db2.gz VPXLFQIXEIJOIW-ZWKOTPCHSA-N 1 1 482.658 3.934 20 0 JHADMO CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)no1 ZINC001306020581 1068411536 /nfs/dbraw/zinc/41/15/36/1068411536.db2.gz WQXSZSMLINYRHS-SJORKVTESA-N 1 1 458.010 3.629 20 0 JHADMO CCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001306063440 1068502579 /nfs/dbraw/zinc/50/25/79/1068502579.db2.gz BCPSIMYHTRVVAZ-FXAWDEMLSA-N 1 1 481.458 3.776 20 0 JHADMO CCc1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001306083071 1068512382 /nfs/dbraw/zinc/51/23/82/1068512382.db2.gz NYGDMJZEOUDWOJ-MRXNPFEDSA-N 1 1 469.497 3.575 20 0 JHADMO CCc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001306148524 1068550699 /nfs/dbraw/zinc/55/06/99/1068550699.db2.gz UOVRCQFOYBRJSR-HXUWFJFHSA-N 1 1 461.054 3.569 20 0 JHADMO CCc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001306155241 1068553518 /nfs/dbraw/zinc/55/35/18/1068553518.db2.gz YDWBWCBAMAMZND-JOCHJYFZSA-N 1 1 484.645 3.597 20 0 JHADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306172116 1068566953 /nfs/dbraw/zinc/56/69/53/1068566953.db2.gz WZKGMAXTPXHKPI-BJKOFHAPSA-N 1 1 466.674 3.884 20 0 JHADMO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001306180194 1068571459 /nfs/dbraw/zinc/57/14/59/1068571459.db2.gz QULGZDWQBKFXMR-WOJBJXKFSA-N 1 1 473.065 3.967 20 0 JHADMO CCc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001306180887 1068572410 /nfs/dbraw/zinc/57/24/10/1068572410.db2.gz QWGQLUONEFJQGY-QFIPXVFZSA-N 1 1 484.664 3.773 20 0 JHADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001306188583 1068580780 /nfs/dbraw/zinc/58/07/80/1068580780.db2.gz IYRREBSMZLDLEG-IRLDBZIGSA-N 1 1 468.646 3.951 20 0 JHADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001306188584 1068580824 /nfs/dbraw/zinc/58/08/24/1068580824.db2.gz IYRREBSMZLDLEG-RBBKRZOGSA-N 1 1 468.646 3.951 20 0 JHADMO CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001306195071 1068586122 /nfs/dbraw/zinc/58/61/22/1068586122.db2.gz JSJNSCRMNCUDDX-HXUWFJFHSA-N 1 1 465.646 3.942 20 0 JHADMO CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001306206176 1068597521 /nfs/dbraw/zinc/59/75/21/1068597521.db2.gz YYUMBMBBFFOCEK-OAQYLSRUSA-N 1 1 484.645 3.571 20 0 JHADMO CCc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306214174 1068602839 /nfs/dbraw/zinc/60/28/39/1068602839.db2.gz GODKLWISMCIEMQ-LVCYWYKZSA-N 1 1 492.462 3.680 20 0 JHADMO CCc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CCC[N@@H+](C)C(C)C ZINC001306214182 1068602901 /nfs/dbraw/zinc/60/29/01/1068602901.db2.gz GSRJTSALJCSHDG-IBGZPJMESA-N 1 1 450.425 3.911 20 0 JHADMO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3CCC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC001306231161 1068618169 /nfs/dbraw/zinc/61/81/69/1068618169.db2.gz ZKFLRKBNGXNLDW-NJYVYQBISA-N 1 1 472.682 3.885 20 0 JHADMO CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306235331 1068628100 /nfs/dbraw/zinc/62/81/00/1068628100.db2.gz SKAWEWWEZUJRAL-DLBZAZTESA-N 1 1 468.602 3.788 20 0 JHADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@@H+](C)C1CCCCC1 ZINC001306244508 1068648599 /nfs/dbraw/zinc/64/85/99/1068648599.db2.gz NIYSJXLVCLFXEC-KNQAVFIVSA-N 1 1 486.636 3.927 20 0 JHADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306257623 1068664617 /nfs/dbraw/zinc/66/46/17/1068664617.db2.gz ODHBEXLZCFQOHB-ZDXQCDESSA-N 1 1 482.673 3.638 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001306277152 1068691220 /nfs/dbraw/zinc/69/12/20/1068691220.db2.gz JWLJTCLYIVCNSJ-AOHZBQACSA-N 1 1 455.647 3.946 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001306277158 1068691229 /nfs/dbraw/zinc/69/12/29/1068691229.db2.gz JWLJTCLYIVCNSJ-WMTXJRDZSA-N 1 1 455.647 3.946 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001306286070 1068704197 /nfs/dbraw/zinc/70/41/97/1068704197.db2.gz KATAWWLXKPOWRJ-WPYKKVEZSA-N 1 1 468.646 3.521 20 0 JHADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001306304952 1068722433 /nfs/dbraw/zinc/72/24/33/1068722433.db2.gz XRFFLDDRQSFSQI-QHAWAJNXSA-N 1 1 480.723 3.559 20 0 JHADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001306304951 1068722591 /nfs/dbraw/zinc/72/25/91/1068722591.db2.gz XRFFLDDRQSFSQI-PWRODBHTSA-N 1 1 480.723 3.559 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001306315529 1068734608 /nfs/dbraw/zinc/73/46/08/1068734608.db2.gz AHVYLXLCKBEXHV-NJYVYQBISA-N 1 1 492.462 3.822 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 ZINC001306317538 1068738381 /nfs/dbraw/zinc/73/83/81/1068738381.db2.gz KBSOLMRDEDEGJQ-UXHICEINSA-N 1 1 471.675 3.912 20 0 JHADMO CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001306317823 1068739990 /nfs/dbraw/zinc/73/99/90/1068739990.db2.gz SROIAXUSMSRDDE-VWPQPMDRSA-N 1 1 471.646 3.946 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306319152 1068743917 /nfs/dbraw/zinc/74/39/17/1068743917.db2.gz JMJMEPFGDKQABJ-PKOBYXMFSA-N 1 1 498.093 3.741 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 ZINC001306319294 1068744849 /nfs/dbraw/zinc/74/48/49/1068744849.db2.gz SKRKNFQPMASHEI-QGZVFWFLSA-N 1 1 478.435 3.817 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306319743 1068746554 /nfs/dbraw/zinc/74/65/54/1068746554.db2.gz VVLCTWMQGKSGRY-FYYLOGMGSA-N 1 1 468.646 3.523 20 0 JHADMO 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 1068746804 /nfs/dbraw/zinc/74/68/04/1068746804.db2.gz VQYZJFDLZOZLGQ-QHAWAJNXSA-N 1 1 460.667 3.969 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306319964 1068747286 /nfs/dbraw/zinc/74/72/86/1068747286.db2.gz XZKQYTNKXLDCQO-LADGPHEKSA-N 1 1 482.673 3.968 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306320258 1068749053 /nfs/dbraw/zinc/74/90/53/1068749053.db2.gz SJIVANVVRXHJSO-OAQYLSRUSA-N 1 1 468.646 3.571 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306321185 1068750975 /nfs/dbraw/zinc/75/09/75/1068750975.db2.gz BMOBFCVRTUNCCS-NNXSRULWSA-N 1 1 474.694 3.553 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001306321192 1068751103 /nfs/dbraw/zinc/75/11/03/1068751103.db2.gz BNRMZVYNJIXWKJ-JOCHJYFZSA-N 1 1 486.636 3.613 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCC(F)F ZINC001306321341 1068751706 /nfs/dbraw/zinc/75/17/06/1068751706.db2.gz DYAAQMQUVUDQTJ-KRWDZBQOSA-N 1 1 473.572 3.548 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1 ZINC001306322488 1068753805 /nfs/dbraw/zinc/75/38/05/1068753805.db2.gz HKRLUCXNWOBDJK-KJJMTIBFSA-N 1 1 465.708 3.989 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001306322877 1068755089 /nfs/dbraw/zinc/75/50/89/1068755089.db2.gz MTSIREFWMTYVPI-MOPGFXCFSA-N 1 1 451.619 3.509 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324044 1068758254 /nfs/dbraw/zinc/75/82/54/1068758254.db2.gz NBEKESJIFNWEGJ-RDGATRHJSA-N 1 1 495.716 3.906 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306324697 1068759853 /nfs/dbraw/zinc/75/98/53/1068759853.db2.gz UVUYPZMOYTUCLZ-GXRSIYKFSA-N 1 1 490.693 3.786 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C ZINC001306325473 1068762538 /nfs/dbraw/zinc/76/25/38/1068762538.db2.gz YCUFGAGSEQSZDB-RBBKRZOGSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](COC)C1 ZINC001306326155 1068763451 /nfs/dbraw/zinc/76/34/51/1068763451.db2.gz XIMJWMWVMKOJIE-DHIUTWEWSA-N 1 1 471.646 3.590 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306326552 1068764952 /nfs/dbraw/zinc/76/49/52/1068764952.db2.gz ZINHPRONOARIQV-ZWKOTPCHSA-N 1 1 457.541 3.742 20 0 JHADMO CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001306341912 1068778678 /nfs/dbraw/zinc/77/86/78/1068778678.db2.gz KAIGPDRMZYCENB-OAQYLSRUSA-N 1 1 458.626 3.650 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC[NH+]1CCN(CC)CC1 ZINC001306343535 1068780246 /nfs/dbraw/zinc/78/02/46/1068780246.db2.gz VIUFDARKMRKXRS-LEWJYISDSA-N 1 1 458.626 3.964 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001306344719 1068781576 /nfs/dbraw/zinc/78/15/76/1068781576.db2.gz FVVTUANGNNLZJJ-RDGATRHJSA-N 1 1 459.610 3.969 20 0 JHADMO CC[C@H]1CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306358766 1068793915 /nfs/dbraw/zinc/79/39/15/1068793915.db2.gz XQVAWIJEZFMSDN-RTWAWAEBSA-N 1 1 457.619 3.745 20 0 JHADMO CC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306361493 1068796385 /nfs/dbraw/zinc/79/63/85/1068796385.db2.gz DNRAIXJWIUOIJT-VIZSFHNOSA-N 1 1 486.636 3.736 20 0 JHADMO CCC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001306362598 1068797888 /nfs/dbraw/zinc/79/78/88/1068797888.db2.gz QVOLHXJNPJTDPI-UHFFFAOYSA-N 1 1 487.645 3.708 20 0 JHADMO CCC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001306362598 1068797895 /nfs/dbraw/zinc/79/78/95/1068797895.db2.gz QVOLHXJNPJTDPI-UHFFFAOYSA-N 1 1 487.645 3.708 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306363064 1068798981 /nfs/dbraw/zinc/79/89/81/1068798981.db2.gz QFHVCDDPWHOKOO-RBUKOAKNSA-N 1 1 475.479 3.970 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001306365864 1068801634 /nfs/dbraw/zinc/80/16/34/1068801634.db2.gz ASWCBFRDYIFWHU-GOSISDBHSA-N 1 1 462.436 3.975 20 0 JHADMO CC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001306368503 1068803276 /nfs/dbraw/zinc/80/32/76/1068803276.db2.gz RSCZZVMDYFCQLL-ZWKOTPCHSA-N 1 1 462.436 3.791 20 0 JHADMO CCC1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001306380541 1068811835 /nfs/dbraw/zinc/81/18/35/1068811835.db2.gz XJFVAQGKWZTHRV-DEOSSOPVSA-N 1 1 466.674 3.632 20 0 JHADMO CC[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CC[NH+](CC)CC2)C1 ZINC001306385145 1068818424 /nfs/dbraw/zinc/81/84/24/1068818424.db2.gz SKTGUPLEDRJGFG-DNVJHFABSA-N 1 1 460.711 3.851 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](C)COCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306387255 1068821480 /nfs/dbraw/zinc/82/14/80/1068821480.db2.gz DBMQRADGFYTJNO-QTJGBDASSA-N 1 1 469.674 3.976 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CCN1CCOC ZINC001306388557 1068824243 /nfs/dbraw/zinc/82/42/43/1068824243.db2.gz KCUVMZGTJBSOKI-QHCPKHFHSA-N 1 1 462.727 3.881 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccccc2N2CCCCC2)CC[N@H+]1CCOC ZINC001306389189 1068825774 /nfs/dbraw/zinc/82/57/74/1068825774.db2.gz YQOGRZRKZLUKHS-HSZRJFAPSA-N 1 1 454.663 3.987 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CCN1CCOC ZINC001306390174 1068827380 /nfs/dbraw/zinc/82/73/80/1068827380.db2.gz RIIRPTILYJSICJ-JOCHJYFZSA-N 1 1 492.778 3.874 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC2(C)C)CC[N@H+]1CCOC ZINC001306391153 1068831103 /nfs/dbraw/zinc/83/11/03/1068831103.db2.gz KOJIBIRSYRBSKN-IRLDBZIGSA-N 1 1 468.646 3.740 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccsc2)CC[N@H+]1CCOC ZINC001306393258 1068834422 /nfs/dbraw/zinc/83/44/22/1068834422.db2.gz RWSNGYVOSZRPNH-QHCPKHFHSA-N 1 1 496.681 3.998 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cscc2C)CC[N@H+]1CCOC ZINC001306402059 1068863579 /nfs/dbraw/zinc/86/35/79/1068863579.db2.gz PCYAPAIEDFBNND-OAQYLSRUSA-N 1 1 455.628 3.919 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC[N@@H+](C)CCOC)C[C@@H](C)O1 ZINC001306402511 1068864180 /nfs/dbraw/zinc/86/41/80/1068864180.db2.gz BHBPXYJPZISBMT-UYAOXDASSA-N 1 1 494.478 3.988 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccsc2)CC[N@H+]1CCOC ZINC001306403558 1068867788 /nfs/dbraw/zinc/86/77/88/1068867788.db2.gz SAMADKAWXYZGGE-HXUWFJFHSA-N 1 1 471.627 3.619 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001306405055 1068870907 /nfs/dbraw/zinc/87/09/07/1068870907.db2.gz YBGLIIBISORFNF-PMACEKPBSA-N 1 1 450.052 3.777 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC001306405114 1068871766 /nfs/dbraw/zinc/87/17/66/1068871766.db2.gz MGHAMYURJYEPMB-HKUYNNGSSA-N 1 1 462.436 3.973 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)CCOCC2)CC[N@H+]1CCOC ZINC001306408493 1068885156 /nfs/dbraw/zinc/88/51/56/1068885156.db2.gz JANVYWMEVPCGTH-FQEVSTJZSA-N 1 1 492.064 3.971 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCCC2)CC[N@H+]1CCOC ZINC001306408543 1068885981 /nfs/dbraw/zinc/88/59/81/1068885981.db2.gz KLTXYDPLUVZOAS-HXUWFJFHSA-N 1 1 477.053 3.890 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(Cl)cn2)CC[N@H+]1CCOC ZINC001306409091 1068887890 /nfs/dbraw/zinc/88/78/90/1068887890.db2.gz MHWBIJVXNVRESI-LJQANCHMSA-N 1 1 474.993 3.521 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001306410183 1068890076 /nfs/dbraw/zinc/89/00/76/1068890076.db2.gz RDOUYFYBKYCUDX-UYAOXDASSA-N 1 1 478.037 3.723 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC[N@H+]1CCOC ZINC001306410234 1068890321 /nfs/dbraw/zinc/89/03/21/1068890321.db2.gz PSUMTWBOAAQSCV-MEKIYTOJSA-N 1 1 462.038 3.697 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC(C)(C)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001306410948 1068893268 /nfs/dbraw/zinc/89/32/68/1068893268.db2.gz ASJKHXFTJBSRND-JOCHJYFZSA-N 1 1 468.621 3.948 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001306411718 1068895799 /nfs/dbraw/zinc/89/57/99/1068895799.db2.gz GZJPCLUNWVKIDU-NBGIEHNGSA-N 1 1 469.655 3.770 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001306411719 1068896052 /nfs/dbraw/zinc/89/60/52/1068896052.db2.gz GZJPCLUNWVKIDU-NLFFAJNJSA-N 1 1 469.655 3.770 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2nccc(C(F)F)n2)CC[N@H+]1CCOC ZINC001306412704 1068898297 /nfs/dbraw/zinc/89/82/97/1068898297.db2.gz KOKOPJCJJGYRTB-SFHVURJKSA-N 1 1 471.556 3.576 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306413070 1068899670 /nfs/dbraw/zinc/89/96/70/1068899670.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 1 1 490.096 3.663 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306413070 1068899677 /nfs/dbraw/zinc/89/96/77/1068899677.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 1 1 490.096 3.663 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCS1 ZINC001306416254 1068905447 /nfs/dbraw/zinc/90/54/47/1068905447.db2.gz YDLWEGSNNCPURO-UXHICEINSA-N 1 1 460.667 3.690 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306417155 1068907401 /nfs/dbraw/zinc/90/74/01/1068907401.db2.gz WBEOTUWQNSSTCH-TUNNFDKTSA-N 1 1 471.646 3.946 20 0 JHADMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001306424124 1068917773 /nfs/dbraw/zinc/91/77/73/1068917773.db2.gz FLGVAONHTPONLF-SFHVURJKSA-N 1 1 451.537 3.753 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC[N@H+]1CCOC ZINC001306424765 1068918408 /nfs/dbraw/zinc/91/84/08/1068918408.db2.gz QOUUBWUTNHYIGK-ZDXQCDESSA-N 1 1 470.662 3.647 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001306425786 1068920546 /nfs/dbraw/zinc/92/05/46/1068920546.db2.gz KRYKSFGTTXCVRL-SLSDLSHTSA-N 1 1 492.064 3.628 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(Cl)c(OC)c2)CC[N@H+]1CCOC ZINC001306427474 1068923351 /nfs/dbraw/zinc/92/33/51/1068923351.db2.gz GFSHARXHCWWBOO-TZIWHRDSSA-N 1 1 478.037 3.777 20 0 JHADMO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2Cl)CC[N@H+]1CCOC ZINC001306428916 1068926380 /nfs/dbraw/zinc/92/63/80/1068926380.db2.gz MRAQATFOXDQFFT-UNMCSNQZSA-N 1 1 462.038 3.963 20 0 JHADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCOc2ccccc2C)C[C@H]1[NH+]1CCOCC1 ZINC001306431884 1068932500 /nfs/dbraw/zinc/93/25/00/1068932500.db2.gz BNNQUGRIXYVOLC-FGZHOGPDSA-N 1 1 455.647 3.801 20 0 JHADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cc(C)ccc2OC)C[C@H]1[NH+]1CCOCC1 ZINC001306433648 1068936191 /nfs/dbraw/zinc/93/61/91/1068936191.db2.gz MIYLMABRNKLOSO-FYYLOGMGSA-N 1 1 469.674 3.973 20 0 JHADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCSCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001306434284 1068937167 /nfs/dbraw/zinc/93/71/67/1068937167.db2.gz PGJVBTKVPGVRHQ-SJORKVTESA-N 1 1 463.614 3.709 20 0 JHADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCSCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001306434278 1068937396 /nfs/dbraw/zinc/93/73/96/1068937396.db2.gz PGJVBTKVPGVRHQ-DLBZAZTESA-N 1 1 463.614 3.709 20 0 JHADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306437147 1068940585 /nfs/dbraw/zinc/94/05/85/1068940585.db2.gz CVIDQXREBGZQGK-VQTJNVASSA-N 1 1 450.672 3.946 20 0 JHADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306438600 1068944114 /nfs/dbraw/zinc/94/41/14/1068944114.db2.gz LZAGHJXLVUZGQV-CCUFPCEUSA-N 1 1 469.674 3.521 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C(C)(C)C)no2)CC[N@H+]1CCOC ZINC001306438921 1068944638 /nfs/dbraw/zinc/94/46/38/1068944638.db2.gz JRPRSVSHIQPLPK-OAQYLSRUSA-N 1 1 496.656 3.758 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCN1CCOC ZINC001306439971 1068946486 /nfs/dbraw/zinc/94/64/86/1068946486.db2.gz CEVKBEGPTMGWKH-SONWIMMPSA-N 1 1 497.732 3.567 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001306444100 1068955161 /nfs/dbraw/zinc/95/51/61/1068955161.db2.gz ZPIBFFJMSUPARY-DENIHFKCSA-N 1 1 455.006 3.835 20 0 JHADMO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CCCCC2)CC[N@H+]1CCOC ZINC001306444529 1068956353 /nfs/dbraw/zinc/95/63/53/1068956353.db2.gz QHSIHJXVOJGBGK-RCZVLFRGSA-N 1 1 490.718 3.512 20 0 JHADMO CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@H]2CC[N@@H+](CC)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306445594 1068958354 /nfs/dbraw/zinc/95/83/54/1068958354.db2.gz ISNMJHVCCNFQQP-HBMCJLEFSA-N 1 1 460.667 3.702 20 0 JHADMO 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CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655835 719322196 /nfs/dbraw/zinc/32/21/96/719322196.db2.gz ZLCIOWGADKZMCY-JYFHCDHNSA-N 1 1 465.573 3.809 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655834 719322403 /nfs/dbraw/zinc/32/24/03/719322403.db2.gz ZLCIOWGADKZMCY-BVAGGSTKSA-N 1 1 465.573 3.809 20 0 JHADMO CCOC[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164664796 719362944 /nfs/dbraw/zinc/36/29/44/719362944.db2.gz RTLQDFLPGWBLNE-QFIPXVFZSA-N 1 1 458.610 3.782 20 0 JHADMO CCOC[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164664796 719362945 /nfs/dbraw/zinc/36/29/45/719362945.db2.gz RTLQDFLPGWBLNE-QFIPXVFZSA-N 1 1 458.610 3.782 20 0 JHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164668713 719445711 /nfs/dbraw/zinc/44/57/11/719445711.db2.gz KAGVVSWQXQGTSI-ZWKOTPCHSA-N 1 1 455.653 3.925 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)c2c1C ZINC001164679016 719541745 /nfs/dbraw/zinc/54/17/45/719541745.db2.gz QGHHWVATFDZBDN-NJDAHSKKSA-N 1 1 483.682 3.900 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@@H]32)n1 ZINC001164678416 719542594 /nfs/dbraw/zinc/54/25/94/719542594.db2.gz KVQGKPZWTITLKI-HSALFYBXSA-N 1 1 471.671 3.756 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)CC2 ZINC001164691142 719757506 /nfs/dbraw/zinc/75/75/06/719757506.db2.gz MKTZHXQAXOUKIX-UHFFFAOYSA-N 1 1 479.959 3.531 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164693029 719758851 /nfs/dbraw/zinc/75/88/51/719758851.db2.gz XDGZCVABRFXFKT-UHFFFAOYSA-N 1 1 467.923 3.662 20 0 JHADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164694527 719809355 /nfs/dbraw/zinc/80/93/55/719809355.db2.gz ZOSLKZBUWCSCEB-UHFFFAOYSA-N 1 1 450.008 3.768 20 0 JHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)CC3)cs1 ZINC001164693632 719813725 /nfs/dbraw/zinc/81/37/25/719813725.db2.gz XGECVCKELMXKPU-UHFFFAOYSA-N 1 1 453.950 3.903 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)CC3)cs1 ZINC001164693632 719813726 /nfs/dbraw/zinc/81/37/26/719813726.db2.gz XGECVCKELMXKPU-UHFFFAOYSA-N 1 1 453.950 3.903 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3cccs3)c21 ZINC001164698605 719847039 /nfs/dbraw/zinc/84/70/39/719847039.db2.gz GFSPKSKCQCHLFK-OYHNWAKOSA-N 1 1 458.609 3.653 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001164700095 719850773 /nfs/dbraw/zinc/85/07/73/719850773.db2.gz GIBHFKJIVWZIQP-CLOONOSVSA-N 1 1 466.607 3.899 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC001164705720 719866882 /nfs/dbraw/zinc/86/68/82/719866882.db2.gz OBKQEQZJJIDFIH-UUOWRZLLSA-N 1 1 470.570 3.730 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCOC[C@@]4(CC[C@H](Cn5cccn5)O4)C3)c2c1C ZINC001164803884 720050425 /nfs/dbraw/zinc/05/04/25/720050425.db2.gz KYVXHKCRLNLGLA-CJFMBICVSA-N 1 1 482.654 3.555 20 0 JHADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CC[C@@H](C)C5)C3)n1 ZINC001164808082 720060216 /nfs/dbraw/zinc/06/02/16/720060216.db2.gz WVPYNZCUGKWEOB-NWJQHBQLSA-N 1 1 494.665 3.898 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5[C@@H]4CC(=O)N5c4cnn(C)c4)c23)C1 ZINC001164710141 720075073 /nfs/dbraw/zinc/07/50/73/720075073.db2.gz HSPSSHFBZVNERU-AHRSYUTCSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164810935 720083923 /nfs/dbraw/zinc/08/39/23/720083923.db2.gz MITBJOIWPGVWNW-CUNXSJBXSA-N 1 1 482.072 3.873 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164810995 720094494 /nfs/dbraw/zinc/09/44/94/720094494.db2.gz MRFJTFHXFPNWIR-QFQXNSOFSA-N 1 1 468.045 3.831 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164715305 720156506 /nfs/dbraw/zinc/15/65/06/720156506.db2.gz UMCFNWXWEASFRA-HXUWFJFHSA-N 1 1 463.582 3.550 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164711253 720156917 /nfs/dbraw/zinc/15/69/17/720156917.db2.gz AJDIJXGXZWBNDQ-KRWDZBQOSA-N 1 1 467.948 3.586 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164814136 720206539 /nfs/dbraw/zinc/20/65/39/720206539.db2.gz SYBLWLSXIXFZKJ-HTAPYJJXSA-N 1 1 454.446 3.958 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CCC2 ZINC001164812017 720239973 /nfs/dbraw/zinc/23/99/73/720239973.db2.gz ARKDVYZQIALBRB-DEOSSOPVSA-N 1 1 486.979 3.732 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C2)C1 ZINC001164722006 720294359 /nfs/dbraw/zinc/29/43/59/720294359.db2.gz OKHKYIXTDPRXIL-AREMUKBSSA-N 1 1 477.634 3.537 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C2)C1 ZINC001164722006 720294364 /nfs/dbraw/zinc/29/43/64/720294364.db2.gz OKHKYIXTDPRXIL-AREMUKBSSA-N 1 1 477.634 3.537 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)n1 ZINC001164828519 720422065 /nfs/dbraw/zinc/42/20/65/720422065.db2.gz WTAGVBLOTHUOLF-AQNXPRMDSA-N 1 1 473.687 3.763 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836517 720517328 /nfs/dbraw/zinc/51/73/28/720517328.db2.gz MVVWJPFXICGHTI-NLJOTIRTSA-N 1 1 471.653 3.609 20 0 JHADMO 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 720519088 /nfs/dbraw/zinc/51/90/88/720519088.db2.gz AYVFQHXJKAPFKO-QYZOEREBSA-N 1 1 480.007 3.849 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835007 720531943 /nfs/dbraw/zinc/53/19/43/720531943.db2.gz GPNHXNAZLDPQSR-FRQCXROJSA-N 1 1 467.948 3.641 20 0 JHADMO 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 720558114 /nfs/dbraw/zinc/55/81/14/720558114.db2.gz WYELLTARYLTVIZ-HSALFYBXSA-N 1 1 459.038 3.838 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833784 720564487 /nfs/dbraw/zinc/56/44/87/720564487.db2.gz BPYOGOHOXSUAAK-SOLBZPMBSA-N 1 1 461.948 3.797 20 0 JHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843135 720578070 /nfs/dbraw/zinc/57/80/70/720578070.db2.gz WSPYOTJEDPNNTK-WRALFONMSA-N 1 1 475.641 3.590 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838760 720611908 /nfs/dbraw/zinc/61/19/08/720611908.db2.gz LPRSMDMPUXOHDQ-FUPPJEDESA-N 1 1 471.049 3.935 20 0 JHADMO 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 720631799 /nfs/dbraw/zinc/63/17/99/720631799.db2.gz UBCCNXTXRFZBJY-BZSNNMDCSA-N 1 1 477.947 3.904 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164838201 720706262 /nfs/dbraw/zinc/70/62/62/720706262.db2.gz HHNNLIFDQQDWOQ-GOSISDBHSA-N 1 1 459.974 3.790 20 0 JHADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836484 720713963 /nfs/dbraw/zinc/71/39/63/720713963.db2.gz BHQNDJBKSSEMLU-ZEQRLZLVSA-N 1 1 493.652 3.516 20 0 JHADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836459 720715803 /nfs/dbraw/zinc/71/58/03/720715803.db2.gz AXJZMIOPLFPWBT-HSZRJFAPSA-N 1 1 486.682 3.808 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164840439 720727338 /nfs/dbraw/zinc/72/73/38/720727338.db2.gz QXTABTATALWLCT-WOJBJXKFSA-N 1 1 458.990 3.558 20 0 JHADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740966 720783201 /nfs/dbraw/zinc/78/32/01/720783201.db2.gz LUCWGURPAPDUFD-BJKOFHAPSA-N 1 1 450.546 3.943 20 0 JHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740226 720816289 /nfs/dbraw/zinc/81/62/89/720816289.db2.gz JQBZIMIDRVKGIT-DJPFJPOOSA-N 1 1 473.959 3.799 20 0 JHADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164744099 720818719 /nfs/dbraw/zinc/81/87/19/720818719.db2.gz UFHUWQPCDGVJLJ-FRQCXROJSA-N 1 1 491.949 3.938 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)c2c1C ZINC001164851003 720821820 /nfs/dbraw/zinc/82/18/20/720821820.db2.gz VQGIEAQIQBIJNP-HSALFYBXSA-N 1 1 485.654 3.584 20 0 JHADMO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738079 720822734 /nfs/dbraw/zinc/82/27/34/720822734.db2.gz DQESYYQWCREFSS-OXFYSEKESA-N 1 1 458.397 3.908 20 0 JHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cc2ccccc2)n1 ZINC001164738048 720824175 /nfs/dbraw/zinc/82/41/75/720824175.db2.gz DPCMFBDLMMXNJY-BHIFYINESA-N 1 1 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Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc4c3CCC4)C2)C1 ZINC001164785272 721371284 /nfs/dbraw/zinc/37/12/84/721371284.db2.gz SWGZEAZYWZJZIJ-HHHXNRCGSA-N 1 1 474.609 3.751 20 0 JHADMO Cc1nc(C)c(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)s1 ZINC001164782978 721372226 /nfs/dbraw/zinc/37/22/26/721372226.db2.gz ONKJQDRDXFHTRO-XMMPIXPASA-N 1 1 468.627 3.941 20 0 JHADMO Cc1nc(C)c(-c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)s1 ZINC001164782978 721372228 /nfs/dbraw/zinc/37/22/28/721372228.db2.gz ONKJQDRDXFHTRO-XMMPIXPASA-N 1 1 468.627 3.941 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(CC(=O)N(c5cnn(C)c5)C4)C3)c2c1C ZINC001164888040 721372617 /nfs/dbraw/zinc/37/26/17/721372617.db2.gz SZHKMPOITCLNCX-RUZDIDTESA-N 1 1 479.654 3.661 20 0 JHADMO Clc1nc2c(c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164781599 721396778 /nfs/dbraw/zinc/39/67/78/721396778.db2.gz CDQIOADXHASHHG-OALUTQOASA-N 1 1 467.042 3.713 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)O2)CC1 ZINC001164886536 721408390 /nfs/dbraw/zinc/40/83/90/721408390.db2.gz JQFQLNMAEOPEKN-VGOFRKELSA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883568 721421454 /nfs/dbraw/zinc/42/14/54/721421454.db2.gz AWKTVDIRRCQKPG-JTSKRJEESA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164897212 721434154 /nfs/dbraw/zinc/43/41/54/721434154.db2.gz SSJGCEKMGWWKEH-DVECYGJZSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)O2)CC1 ZINC001164894885 721436429 /nfs/dbraw/zinc/43/64/29/721436429.db2.gz MYGWAORSRWUAEX-VGOFRKELSA-N 1 1 481.975 3.700 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897127 721443472 /nfs/dbraw/zinc/44/34/72/721443472.db2.gz SPHIBOJYMHYYQV-HTAPYJJXSA-N 1 1 450.414 3.702 20 0 JHADMO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2cc(OC4CC[NH+](C)CC4)ccn2)CCO3)cs1 ZINC001164782360 721445602 /nfs/dbraw/zinc/44/56/02/721445602.db2.gz JASZCEPCNXOJRL-NBGIEHNGSA-N 1 1 472.655 3.912 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884283 721447854 /nfs/dbraw/zinc/44/78/54/721447854.db2.gz ANGJRZMVVWBGHI-ABYGYWHVSA-N 1 1 487.648 3.974 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164785196 721448470 /nfs/dbraw/zinc/44/84/70/721448470.db2.gz HBXCUEVFZFFOLL-FQEVSTJZSA-N 1 1 466.022 3.646 20 0 JHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164887837 721448479 /nfs/dbraw/zinc/44/84/79/721448479.db2.gz KMSRMPXVEQKYMK-CJFMBICVSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)C3)O2)CC1 ZINC001164884428 721450519 /nfs/dbraw/zinc/45/05/19/721450519.db2.gz BDVRUXUIKLBEHI-HYBUGGRVSA-N 1 1 475.996 3.827 20 0 JHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887839 721450628 /nfs/dbraw/zinc/45/06/28/721450628.db2.gz KMSRMPXVEQKYMK-NBGIEHNGSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164892092 721451594 /nfs/dbraw/zinc/45/15/94/721451594.db2.gz WZPONYLKFIXCSB-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C3)O2)CC1 ZINC001164889890 721454011 /nfs/dbraw/zinc/45/40/11/721454011.db2.gz PRDAUUZFEJANTL-JPYJTQIMSA-N 1 1 483.488 3.539 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164785183 721454019 /nfs/dbraw/zinc/45/40/19/721454019.db2.gz HABIWUSTNBSRGM-SFHVURJKSA-N 1 1 458.981 3.717 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1C ZINC001164787556 721459303 /nfs/dbraw/zinc/45/93/03/721459303.db2.gz RJZSAAYHRPUQKD-HXUWFJFHSA-N 1 1 480.049 3.954 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164783294 721461363 /nfs/dbraw/zinc/46/13/63/721461363.db2.gz DBBGBDDJVSWMRX-NRFANRHFSA-N 1 1 493.092 3.997 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789222 721461921 /nfs/dbraw/zinc/46/19/21/721461921.db2.gz VWHMZYWEPFLNAP-OAQYLSRUSA-N 1 1 454.615 3.681 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164789371 721463961 /nfs/dbraw/zinc/46/39/61/721463961.db2.gz XMMYWBZNQXLMLY-DEOSSOPVSA-N 1 1 462.638 3.976 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164788795 721466553 /nfs/dbraw/zinc/46/65/53/721466553.db2.gz LAMNTJRNCDVYGJ-RCZVLFRGSA-N 1 1 484.685 3.688 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164790620 721466937 /nfs/dbraw/zinc/46/69/37/721466937.db2.gz SMFZWTWDHSOCFZ-QHCPKHFHSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164786409 721470828 /nfs/dbraw/zinc/47/08/28/721470828.db2.gz BEBGDJXCNBPYJA-JOCHJYFZSA-N 1 1 467.614 3.743 20 0 JHADMO CCCSc1ncnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1OC ZINC001164787347 721473473 /nfs/dbraw/zinc/47/34/73/721473473.db2.gz FCSBQGZJWRNLGF-FQEVSTJZSA-N 1 1 464.676 3.721 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796301 721501111 /nfs/dbraw/zinc/50/11/11/721501111.db2.gz PKJJIHRHPBQATD-FQEVSTJZSA-N 1 1 471.671 3.825 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c2c1C ZINC001164897358 721504861 /nfs/dbraw/zinc/50/48/61/721504861.db2.gz LGQPVTVUJGBBEK-HXUWFJFHSA-N 1 1 476.650 3.942 20 0 JHADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1C ZINC001164896256 721509104 /nfs/dbraw/zinc/50/91/04/721509104.db2.gz ABIJWUDBHNDNHU-AEFFLSMTSA-N 1 1 456.543 3.657 20 0 JHADMO 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COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001311424174 1069372683 /nfs/dbraw/zinc/37/26/83/1069372683.db2.gz PYMDNIIPXUPSES-GJZUVCINSA-N 1 1 452.643 3.894 20 0 JHADMO COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001311424174 1069372699 /nfs/dbraw/zinc/37/26/99/1069372699.db2.gz PYMDNIIPXUPSES-GJZUVCINSA-N 1 1 452.643 3.894 20 0 JHADMO CO[C@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cs1 ZINC001311430241 1069376374 /nfs/dbraw/zinc/37/63/74/1069376374.db2.gz JHDXRXOMQUFRDQ-WOJBJXKFSA-N 1 1 451.681 3.722 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001306663554 1069385897 /nfs/dbraw/zinc/38/58/97/1069385897.db2.gz KSWLRWNRNOGPSC-OAQYLSRUSA-N 1 1 482.673 3.913 20 0 JHADMO CCCCN(C)c1nnc(-c2ccccc2Br)n1CCCN1CC[NH+](CC)CC1 ZINC001306668204 1069396218 /nfs/dbraw/zinc/39/62/18/1069396218.db2.gz GNQMEZXIXNNNKD-UHFFFAOYSA-N 1 1 463.468 3.972 20 0 JHADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)CC1 ZINC001311479947 1069397201 /nfs/dbraw/zinc/39/72/01/1069397201.db2.gz GCFSAWLFBQQXIM-JOCHJYFZSA-N 1 1 451.453 3.582 20 0 JHADMO Cc1ccc([C@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001311481954 1069398269 /nfs/dbraw/zinc/39/82/69/1069398269.db2.gz NXRVZJFDTLWKAF-HYBUGGRVSA-N 1 1 457.640 3.741 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC1 ZINC001306678124 1069402496 /nfs/dbraw/zinc/40/24/96/1069402496.db2.gz HUDRYODTONRXPR-UHFFFAOYSA-N 1 1 468.675 3.999 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306680797 1069408306 /nfs/dbraw/zinc/40/83/06/1069408306.db2.gz FZVMMKIMKMEVAL-UHFFFAOYSA-N 1 1 478.645 3.514 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001306680600 1069407718 /nfs/dbraw/zinc/40/77/18/1069407718.db2.gz QXJVRIVLNBYMCC-NHCUHLMSSA-N 1 1 486.627 3.962 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001306681403 1069410345 /nfs/dbraw/zinc/41/03/45/1069410345.db2.gz LUMXYGRVFAMFLP-QUCCMNQESA-N 1 1 475.707 3.903 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)on1 ZINC001306681972 1069411884 /nfs/dbraw/zinc/41/18/84/1069411884.db2.gz YJUDCFZLGNPTDV-UHFFFAOYSA-N 1 1 464.412 3.711 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306682027 1069411948 /nfs/dbraw/zinc/41/19/48/1069411948.db2.gz ZZFNVIXTZMPBPE-HXUWFJFHSA-N 1 1 484.670 3.547 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001306681389 1069409688 /nfs/dbraw/zinc/40/96/88/1069409688.db2.gz LKBACMZZKWDOII-VQTJNVASSA-N 1 1 476.572 3.526 20 0 JHADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)O1 ZINC001311511606 1069416495 /nfs/dbraw/zinc/41/64/95/1069416495.db2.gz RYGYFSQIMMCKQC-HZPDHXFCSA-N 1 1 452.571 3.860 20 0 JHADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC001311511605 1069416501 /nfs/dbraw/zinc/41/65/01/1069416501.db2.gz RYGYFSQIMMCKQC-HOTGVXAUSA-N 1 1 452.571 3.860 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cncn2)CC1 ZINC001306683354 1069416514 /nfs/dbraw/zinc/41/65/14/1069416514.db2.gz SDXZNUNHQRQEBM-UHFFFAOYSA-N 1 1 457.026 3.839 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001306682401 1069413139 /nfs/dbraw/zinc/41/31/39/1069413139.db2.gz GCCRNIRWUQTXIR-UHFFFAOYSA-N 1 1 493.534 3.794 20 0 JHADMO CC[C@@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311506965 1069413498 /nfs/dbraw/zinc/41/34/98/1069413498.db2.gz YITJXJHVWVULSU-RCZVLFRGSA-N 1 1 455.599 3.961 20 0 JHADMO CC[C@@H](NC(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311506965 1069413504 /nfs/dbraw/zinc/41/35/04/1069413504.db2.gz YITJXJHVWVULSU-RCZVLFRGSA-N 1 1 455.599 3.961 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001306682562 1069413994 /nfs/dbraw/zinc/41/39/94/1069413994.db2.gz IIAUBXZSSNPNNY-SFHVURJKSA-N 1 1 468.568 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306682766 1069414762 /nfs/dbraw/zinc/41/47/62/1069414762.db2.gz KOAWNKPJCUMUQY-UHFFFAOYSA-N 1 1 481.519 3.754 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001306682914 1069415338 /nfs/dbraw/zinc/41/53/38/1069415338.db2.gz MFEUXLMLYFCJSA-SFHVURJKSA-N 1 1 473.025 3.876 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306683617 1069418044 /nfs/dbraw/zinc/41/80/44/1069418044.db2.gz YFPCKYGCLKXGCN-UHFFFAOYSA-N 1 1 456.635 3.900 20 0 JHADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H](C)O1 ZINC001311510114 1069415837 /nfs/dbraw/zinc/41/58/37/1069415837.db2.gz CQSGXOGCGARULU-BGYRXZFFSA-N 1 1 453.583 3.731 20 0 JHADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H](C)O1 ZINC001311510114 1069415842 /nfs/dbraw/zinc/41/58/42/1069415842.db2.gz CQSGXOGCGARULU-BGYRXZFFSA-N 1 1 453.583 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001306683214 1069415988 /nfs/dbraw/zinc/41/59/88/1069415988.db2.gz VOSIHZSHAYYTBZ-JOCHJYFZSA-N 1 1 459.660 3.849 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001306684087 1069418601 /nfs/dbraw/zinc/41/86/01/1069418601.db2.gz ILGWHQSEMKTUND-UHFFFAOYSA-N 1 1 471.556 3.793 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001306683916 1069418835 /nfs/dbraw/zinc/41/88/35/1069418835.db2.gz FLYNZZONJHTUCA-UHFFFAOYSA-N 1 1 456.038 3.981 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001306684179 1069419532 /nfs/dbraw/zinc/41/95/32/1069419532.db2.gz HSBMOFUBLGOLMG-QHCPKHFHSA-N 1 1 474.694 3.917 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCOCC1 ZINC001306685364 1069420688 /nfs/dbraw/zinc/42/06/88/1069420688.db2.gz BPKGSPKULMEQNN-UHFFFAOYSA-N 1 1 492.709 3.987 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(c2ncnc3sccc32)CC1 ZINC001306686067 1069422027 /nfs/dbraw/zinc/42/20/27/1069422027.db2.gz QRRONMUHPSOBQO-UHFFFAOYSA-N 1 1 456.664 3.540 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306686322 1069422392 /nfs/dbraw/zinc/42/23/92/1069422392.db2.gz BGNTYDRVMUYIKP-IBGZPJMESA-N 1 1 462.664 3.766 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001306686223 1069422550 /nfs/dbraw/zinc/42/25/50/1069422550.db2.gz SKWAJORZRCVJGG-UHFFFAOYSA-N 1 1 479.044 3.963 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OC)cc2C1 ZINC001306687790 1069424668 /nfs/dbraw/zinc/42/46/68/1069424668.db2.gz KFNPFYIHTAMBJA-UHFFFAOYSA-N 1 1 454.644 3.937 20 0 JHADMO COc1ccc(C[C@@H]2CCCN(C(=O)NC[C@@H](c3cccs3)N3CC[NH+](C)CC3)C2)cc1 ZINC001311574314 1069445114 /nfs/dbraw/zinc/44/51/14/1069445114.db2.gz ZBIYFOHYQUKUCD-GMAHTHKFSA-N 1 1 456.656 3.710 20 0 JHADMO CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001306708196 1069442605 /nfs/dbraw/zinc/44/26/05/1069442605.db2.gz GADHQNOIJHVTTF-OAQYLSRUSA-N 1 1 476.666 3.841 20 0 JHADMO C[NH+]1CCN([C@H](CNC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC001311571665 1069443412 /nfs/dbraw/zinc/44/34/12/1069443412.db2.gz OBEBIWJQCXDMMK-FGZHOGPDSA-N 1 1 456.656 3.816 20 0 JHADMO C[NH+]1CCN([C@@H](CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c2cccs2)CC1 ZINC001311572220 1069443902 /nfs/dbraw/zinc/44/39/02/1069443902.db2.gz QLTPGSNKSJKRPK-CVEARBPZSA-N 1 1 455.411 3.776 20 0 JHADMO CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001306713514 1069445035 /nfs/dbraw/zinc/44/50/35/1069445035.db2.gz KQIIIBJIRFWSEM-OAQYLSRUSA-N 1 1 451.619 3.832 20 0 JHADMO CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C)n1 ZINC001306716045 1069447991 /nfs/dbraw/zinc/44/79/91/1069447991.db2.gz CYZFCMQACNVWCZ-UHFFFAOYSA-N 1 1 469.634 3.747 20 0 JHADMO CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(C)n1 ZINC001306716045 1069447996 /nfs/dbraw/zinc/44/79/96/1069447996.db2.gz CYZFCMQACNVWCZ-UHFFFAOYSA-N 1 1 469.634 3.747 20 0 JHADMO CCCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306719157 1069452322 /nfs/dbraw/zinc/45/23/22/1069452322.db2.gz JHYVRANPSGWPIG-OAQYLSRUSA-N 1 1 457.667 3.836 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306721542 1069457872 /nfs/dbraw/zinc/45/78/72/1069457872.db2.gz BDKJANNNLJKLNI-TUNNFDKTSA-N 1 1 486.636 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306722454 1069460359 /nfs/dbraw/zinc/46/03/59/1069460359.db2.gz LNZMWAUZRGDKGZ-NQIIRXRSSA-N 1 1 459.038 3.920 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001306723324 1069462902 /nfs/dbraw/zinc/46/29/02/1069462902.db2.gz RNININFGFJPLTL-JWQCQUIFSA-N 1 1 482.673 3.503 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001306723507 1069463407 /nfs/dbraw/zinc/46/34/07/1069463407.db2.gz SRXINPPTCOBOMW-HSALFYBXSA-N 1 1 465.664 3.759 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306723661 1069464027 /nfs/dbraw/zinc/46/40/27/1069464027.db2.gz UHBPNTCNDGKZEE-RTWAWAEBSA-N 1 1 482.677 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C ZINC001306723758 1069464063 /nfs/dbraw/zinc/46/40/63/1069464063.db2.gz UZMSQDLJAOGGOK-FUHWJXTLSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306723659 1069464103 /nfs/dbraw/zinc/46/41/03/1069464103.db2.gz UHBPNTCNDGKZEE-LEWJYISDSA-N 1 1 482.677 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 ZINC001306724894 1069465852 /nfs/dbraw/zinc/46/58/52/1069465852.db2.gz AADRWTDMXPYOPT-LEWJYISDSA-N 1 1 465.708 3.851 20 0 JHADMO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306725885 1069467185 /nfs/dbraw/zinc/46/71/85/1069467185.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 1 1 459.708 3.819 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306725885 1069467193 /nfs/dbraw/zinc/46/71/93/1069467193.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 1 1 459.708 3.819 20 0 JHADMO CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001311614684 1069467314 /nfs/dbraw/zinc/46/73/14/1069467314.db2.gz LRTHABJINSIVDK-JTHBVZDNSA-N 1 1 456.631 3.705 20 0 JHADMO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1noc(Cc2ccccc2)n1 ZINC001311616165 1069467711 /nfs/dbraw/zinc/46/77/11/1069467711.db2.gz DWPZULNHZSOPNF-INIZCTEOSA-N 1 1 455.509 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726051 1069467872 /nfs/dbraw/zinc/46/78/72/1069467872.db2.gz JSWZPVUNCJEEGU-RBUKOAKNSA-N 1 1 471.568 3.784 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306726216 1069468872 /nfs/dbraw/zinc/46/88/72/1069468872.db2.gz KHMLEVSVPHCVMJ-HXUWFJFHSA-N 1 1 488.627 3.894 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001306727069 1069471182 /nfs/dbraw/zinc/47/11/82/1069471182.db2.gz CKZCGRRAXSYFAP-HPAIXVDQSA-N 1 1 463.667 3.518 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726455 1069469480 /nfs/dbraw/zinc/46/94/80/1069469480.db2.gz MOIWQFOFSMOSRM-BJKOFHAPSA-N 1 1 488.721 3.910 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](COc2ccccc2)C1 ZINC001311629877 1069478239 /nfs/dbraw/zinc/47/82/39/1069478239.db2.gz IDFVOJVORJMIMG-RUZDIDTESA-N 1 1 450.627 3.695 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001306729557 1069478660 /nfs/dbraw/zinc/47/86/60/1069478660.db2.gz KZLDAGXWVZAIGX-FCHUYYIVSA-N 1 1 490.693 3.615 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001311630243 1069478801 /nfs/dbraw/zinc/47/88/01/1069478801.db2.gz MXQMIGCYPPGMHX-SANMLTNESA-N 1 1 456.675 3.823 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cn1 ZINC001311633222 1069480523 /nfs/dbraw/zinc/48/05/23/1069480523.db2.gz XPCBYCROYUYACB-IBGZPJMESA-N 1 1 456.591 3.801 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306731072 1069484474 /nfs/dbraw/zinc/48/44/74/1069484474.db2.gz ONYJKOOBWXHCOZ-DNQXCXABSA-N 1 1 458.695 3.970 20 0 JHADMO Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)C2)n(C)n1 ZINC001311646158 1069487297 /nfs/dbraw/zinc/48/72/97/1069487297.db2.gz ZUTPHOUYXICAFV-HSZRJFAPSA-N 1 1 452.647 3.961 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001306732928 1069491704 /nfs/dbraw/zinc/49/17/04/1069491704.db2.gz WXCDNXLMDZACEX-RCZVLFRGSA-N 1 1 459.610 3.706 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001306732926 1069491743 /nfs/dbraw/zinc/49/17/43/1069491743.db2.gz WXCDNXLMDZACEX-DHLKQENFSA-N 1 1 459.610 3.706 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665045 1069493968 /nfs/dbraw/zinc/49/39/68/1069493968.db2.gz KWECFKSWZZTQSF-QVKFZJNVSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665045 1069493969 /nfs/dbraw/zinc/49/39/69/1069493969.db2.gz KWECFKSWZZTQSF-QVKFZJNVSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665046 1069493976 /nfs/dbraw/zinc/49/39/76/1069493976.db2.gz KWECFKSWZZTQSF-VFNWGFHPSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665046 1069493978 /nfs/dbraw/zinc/49/39/78/1069493978.db2.gz KWECFKSWZZTQSF-VFNWGFHPSA-N 1 1 452.382 3.747 20 0 JHADMO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1c1ccc(F)cc1 ZINC001311664901 1069494025 /nfs/dbraw/zinc/49/40/25/1069494025.db2.gz NLBXPBJHWQGJJB-PKTZIBPZSA-N 1 1 450.514 3.593 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1F ZINC001311667098 1069495171 /nfs/dbraw/zinc/49/51/71/1069495171.db2.gz WUWMIRVNGBFMMF-UYAOXDASSA-N 1 1 450.436 3.654 20 0 JHADMO 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 1069503429 /nfs/dbraw/zinc/50/34/29/1069503429.db2.gz DRYJGCBMRHUEPY-YHDSQAASSA-N 1 1 462.610 3.948 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CC=CCC2)C1 ZINC001306738431 1069509666 /nfs/dbraw/zinc/50/96/66/1069509666.db2.gz ZTCRCNRVQNBYSO-YADHBBJMSA-N 1 1 480.657 3.737 20 0 JHADMO 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 1069511145 /nfs/dbraw/zinc/51/11/45/1069511145.db2.gz PLIKMQLXHYRUJY-SCTDSRPQSA-N 1 1 459.553 3.843 20 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CCCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001306749781 1069543333 /nfs/dbraw/zinc/54/33/33/1069543333.db2.gz YGIWCJQHORNYTC-ACRUOGEOSA-N 1 1 471.646 3.946 20 0 JHADMO CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001311770750 1069540093 /nfs/dbraw/zinc/54/00/93/1069540093.db2.gz QJDORQRGPJKASD-HXUWFJFHSA-N 1 1 452.599 3.510 20 0 JHADMO CC(C)N1C(=O)C[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001311778085 1069543004 /nfs/dbraw/zinc/54/30/04/1069543004.db2.gz OJPIPDYRCVSBPP-GMAHTHKFSA-N 1 1 458.965 3.845 20 0 JHADMO C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC001311791704 1069546845 /nfs/dbraw/zinc/54/68/45/1069546845.db2.gz BOCHVTNGENXJMN-KZNAEPCWSA-N 1 1 450.649 3.687 20 0 JHADMO C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[N@H+]1CCc2sccc2C1 ZINC001311791704 1069546849 /nfs/dbraw/zinc/54/68/49/1069546849.db2.gz BOCHVTNGENXJMN-KZNAEPCWSA-N 1 1 450.649 3.687 20 0 JHADMO C[C@H](CNC(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001311793985 1069547621 /nfs/dbraw/zinc/54/76/21/1069547621.db2.gz ZPNLJQBAHJEHSX-MJGOQNOKSA-N 1 1 450.649 3.974 20 0 JHADMO C[C@H](CNC(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001311793985 1069547626 /nfs/dbraw/zinc/54/76/26/1069547626.db2.gz ZPNLJQBAHJEHSX-MJGOQNOKSA-N 1 1 450.649 3.974 20 0 JHADMO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819247 1069558932 /nfs/dbraw/zinc/55/89/32/1069558932.db2.gz HSGLXZZLGMBGNM-REWPJTCUSA-N 1 1 453.606 3.554 20 0 JHADMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819247 1069558942 /nfs/dbraw/zinc/55/89/42/1069558942.db2.gz HSGLXZZLGMBGNM-REWPJTCUSA-N 1 1 453.606 3.554 20 0 JHADMO CCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001306760900 1069561074 /nfs/dbraw/zinc/56/10/74/1069561074.db2.gz MDKPBELIZSTQTE-QGZVFWFLSA-N 1 1 454.402 3.589 20 0 JHADMO CCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001306760900 1069561082 /nfs/dbraw/zinc/56/10/82/1069561082.db2.gz MDKPBELIZSTQTE-QGZVFWFLSA-N 1 1 454.402 3.589 20 0 JHADMO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306770309 1069569609 /nfs/dbraw/zinc/56/96/09/1069569609.db2.gz NMGJEVGXSJOMCL-GOSISDBHSA-N 1 1 480.451 3.919 20 0 JHADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001306768333 1069568536 /nfs/dbraw/zinc/56/85/36/1069568536.db2.gz LEEPZXSZZPFPLN-LJQANCHMSA-N 1 1 475.707 3.905 20 0 JHADMO COC(=O)N1CCC[C@H](NC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001311832733 1069569817 /nfs/dbraw/zinc/56/98/17/1069569817.db2.gz QSEWQLBLJUENIV-JCYRPKCISA-N 1 1 450.583 3.575 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001306780247 1069576549 /nfs/dbraw/zinc/57/65/49/1069576549.db2.gz AIIKESBQSHFIJM-IEBWSBKVSA-N 1 1 478.037 3.669 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCC2)C1 ZINC001306780261 1069577336 /nfs/dbraw/zinc/57/73/36/1069577336.db2.gz MIUPRXJCGWMNEK-LEWJYISDSA-N 1 1 471.671 3.873 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001306780834 1069578428 /nfs/dbraw/zinc/57/84/28/1069578428.db2.gz QJIHROLQLHQCIL-RXFWQSSRSA-N 1 1 488.677 3.821 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCN2CCCCCC2=O)C1 ZINC001306782655 1069581256 /nfs/dbraw/zinc/58/12/56/1069581256.db2.gz DXEVTUVEJUTAGM-JOCHJYFZSA-N 1 1 452.647 3.906 20 0 JHADMO CCC[C@@H](NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)C(=O)N1CCc2sccc2C1 ZINC001311854733 1069581348 /nfs/dbraw/zinc/58/13/48/1069581348.db2.gz CTOTZQLGZNZKDX-HXUWFJFHSA-N 1 1 455.628 3.605 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001306783950 1069583636 /nfs/dbraw/zinc/58/36/36/1069583636.db2.gz KSKLKFRVZDZAPR-SFTDATJTSA-N 1 1 483.661 3.908 20 0 JHADMO 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C[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1cc(F)c(Cl)cc1Cl ZINC001307637707 1070093505 /nfs/dbraw/zinc/09/35/05/1070093505.db2.gz GCHHVBYLWMIVCU-MRVPVSSYSA-N 1 1 454.738 3.723 20 0 JHADMO Cc1c([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cnn1-c1ccc(F)cc1 ZINC001307644296 1070098370 /nfs/dbraw/zinc/09/83/70/1070098370.db2.gz YYTDRSOBYKTODL-ZDUSSCGKSA-N 1 1 455.559 3.648 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCc1ccc(C)cc1C ZINC001314311617 1070098418 /nfs/dbraw/zinc/09/84/18/1070098418.db2.gz JAARLIITSINXKJ-JYFHCDHNSA-N 1 1 479.673 3.927 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCc1c(C)cccc1C ZINC001314311979 1070099492 /nfs/dbraw/zinc/09/94/92/1070099492.db2.gz OMFSWWLXLBSWHP-BKMJKUGQSA-N 1 1 479.673 3.927 20 0 JHADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001312750542 1070103291 /nfs/dbraw/zinc/10/32/91/1070103291.db2.gz XHLOONNNTLBKHH-RTGAMMJTSA-N 1 1 452.574 3.842 20 0 JHADMO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC001307653727 1070104559 /nfs/dbraw/zinc/10/45/59/1070104559.db2.gz JDIGJICCLHDLGC-GOSISDBHSA-N 1 1 459.974 3.537 20 0 JHADMO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC001307653727 1070104561 /nfs/dbraw/zinc/10/45/61/1070104561.db2.gz JDIGJICCLHDLGC-GOSISDBHSA-N 1 1 459.974 3.537 20 0 JHADMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001307653411 1070104596 /nfs/dbraw/zinc/10/45/96/1070104596.db2.gz GAPCESADBJUJLX-UYAOXDASSA-N 1 1 458.986 3.949 20 0 JHADMO CCOCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321083 1070106542 /nfs/dbraw/zinc/10/65/42/1070106542.db2.gz HPYSRRLYEOOZHD-GJZGRUSLSA-N 1 1 456.422 3.547 20 0 JHADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758810 1070107817 /nfs/dbraw/zinc/10/78/17/1070107817.db2.gz ZZJQKRLKLCWNRT-JXALWOEJSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758810 1070107823 /nfs/dbraw/zinc/10/78/23/1070107823.db2.gz ZZJQKRLKLCWNRT-JXALWOEJSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758817 1070108459 /nfs/dbraw/zinc/10/84/59/1070108459.db2.gz ZZJQKRLKLCWNRT-YOSAUDMPSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758817 1070108468 /nfs/dbraw/zinc/10/84/68/1070108468.db2.gz ZZJQKRLKLCWNRT-YOSAUDMPSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2cccn2)c(F)c1 ZINC001312759284 1070108489 /nfs/dbraw/zinc/10/84/89/1070108489.db2.gz KWQVDHWKGHCMOW-AVRDEDQJSA-N 1 1 451.546 3.529 20 0 JHADMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001307683302 1070123922 /nfs/dbraw/zinc/12/39/22/1070123922.db2.gz LCJSCQRNVFMQBD-UHFFFAOYSA-N 1 1 459.587 3.833 20 0 JHADMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001307683302 1070123928 /nfs/dbraw/zinc/12/39/28/1070123928.db2.gz LCJSCQRNVFMQBD-UHFFFAOYSA-N 1 1 459.587 3.833 20 0 JHADMO 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 1070128987 /nfs/dbraw/zinc/12/89/87/1070128987.db2.gz XCSKUJJWAMUYGZ-ZACQAIPSSA-N 1 1 452.562 3.842 20 0 JHADMO COc1cc(NC(=O)CC[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc(OC)c1OC ZINC001307691963 1070129239 /nfs/dbraw/zinc/12/92/39/1070129239.db2.gz DHPUZGIFCCGXHU-SFHVURJKSA-N 1 1 452.555 3.803 20 0 JHADMO O=C1[C@@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698291 1070134252 /nfs/dbraw/zinc/13/42/52/1070134252.db2.gz CHQIGRGPDRCEGQ-RBUKOAKNSA-N 1 1 458.427 3.987 20 0 JHADMO Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001307708849 1070137637 /nfs/dbraw/zinc/13/76/37/1070137637.db2.gz AAAZIOYNHHQYFG-GOSISDBHSA-N 1 1 450.501 3.924 20 0 JHADMO CCOCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314340690 1070138576 /nfs/dbraw/zinc/13/85/76/1070138576.db2.gz CJSJFSVBXYXRDS-RTBURBONSA-N 1 1 474.616 3.646 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCN1c2ccccc2C[C@H]1C ZINC001314341045 1070139436 /nfs/dbraw/zinc/13/94/36/1070139436.db2.gz FBAABZDQNNOHRW-OAQYLSRUSA-N 1 1 454.663 3.822 20 0 JHADMO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001312825081 1070143724 /nfs/dbraw/zinc/14/37/24/1070143724.db2.gz OFDWZZVTQVKXRP-LEWJYISDSA-N 1 1 456.660 3.778 20 0 JHADMO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827112 1070145483 /nfs/dbraw/zinc/14/54/83/1070145483.db2.gz WVDGQGAHLYRFOO-UNMCSNQZSA-N 1 1 457.640 3.795 20 0 JHADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001312837120 1070147004 /nfs/dbraw/zinc/14/70/04/1070147004.db2.gz GXAAAXZVYXDLRA-OAQYLSRUSA-N 1 1 450.023 3.718 20 0 JHADMO CCOCc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001314344284 1070148182 /nfs/dbraw/zinc/14/81/82/1070148182.db2.gz UPGSEIZVXGLKDH-BVAGGSTKSA-N 1 1 455.647 3.857 20 0 JHADMO CCOCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1cccc(Cl)c1 ZINC001314347929 1070156765 /nfs/dbraw/zinc/15/67/65/1070156765.db2.gz WVUKSIIHPKXMLB-UHFFFAOYSA-N 1 1 461.054 3.511 20 0 JHADMO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CCN1c1cccc(Br)c1 ZINC001307740305 1070160470 /nfs/dbraw/zinc/16/04/70/1070160470.db2.gz DVMDEFFBZWHKFV-JKSUJKDBSA-N 1 1 459.262 3.776 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001307742047 1070161084 /nfs/dbraw/zinc/16/10/84/1070161084.db2.gz OHDJHMKLYCHZAR-HJNYFJLDSA-N 1 1 459.562 3.561 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314348115 1070156915 /nfs/dbraw/zinc/15/69/15/1070156915.db2.gz CJWGIUMITZSFAD-SFTDATJTSA-N 1 1 456.635 3.686 20 0 JHADMO C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(Br)cn1 ZINC001307734561 1070157798 /nfs/dbraw/zinc/15/77/98/1070157798.db2.gz QAGUNQPWPNOWQW-AWEZNQCLSA-N 1 1 452.422 3.822 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314348650 1070159007 /nfs/dbraw/zinc/15/90/07/1070159007.db2.gz DSYHOCUYMROUGK-TZIWHRDSSA-N 1 1 478.682 3.819 20 0 JHADMO O=C1c2ccccc2C(=O)N1CCOCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC001307748007 1070163862 /nfs/dbraw/zinc/16/38/62/1070163862.db2.gz ZDFHVJWXXZVEGB-UHFFFAOYSA-N 1 1 457.368 3.974 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001312884346 1070166293 /nfs/dbraw/zinc/16/62/93/1070166293.db2.gz FKYPZEZFLBDNJI-AGILITTLSA-N 1 1 459.537 3.585 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001307774148 1070177840 /nfs/dbraw/zinc/17/78/40/1070177840.db2.gz PYDRUZOIKUETJQ-NJYVYQBISA-N 1 1 481.996 3.979 20 0 JHADMO Cc1ccc(CCC2CCN(C(=O)C[N@H+](Cc3ccccc3)[C@@]3(CO)CCOC3)CC2)cc1 ZINC001307764555 1070173722 /nfs/dbraw/zinc/17/37/22/1070173722.db2.gz UQDWUQQKQQGVPD-MUUNZHRXSA-N 1 1 450.623 3.820 20 0 JHADMO Cc1ccc(CCC2CCN(C(=O)C[N@@H+](Cc3ccccc3)[C@@]3(CO)CCOC3)CC2)cc1 ZINC001307764555 1070173725 /nfs/dbraw/zinc/17/37/25/1070173725.db2.gz UQDWUQQKQQGVPD-MUUNZHRXSA-N 1 1 450.623 3.820 20 0 JHADMO CC(C)(C)OC(=O)NCC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCc1ccccc1 ZINC001307764992 1070174556 /nfs/dbraw/zinc/17/45/56/1070174556.db2.gz CRRPZHNECGEEMW-UHFFFAOYSA-N 1 1 455.555 3.813 20 0 JHADMO CCOC(=O)c1cnn(C2CC[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1 ZINC001307779399 1070179499 /nfs/dbraw/zinc/17/94/99/1070179499.db2.gz PLGIPPMGGMVRJJ-IBGZPJMESA-N 1 1 451.354 3.809 20 0 JHADMO CCOC(=O)C1([S@](C)=O)CCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307776816 1070179564 /nfs/dbraw/zinc/17/95/64/1070179564.db2.gz SOIZQERYKFOUMJ-QNLPTKCRSA-N 1 1 456.652 3.678 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001314357731 1070179803 /nfs/dbraw/zinc/17/98/03/1070179803.db2.gz QMNDMLSJBUQPGW-NRFANRHFSA-N 1 1 485.673 3.771 20 0 JHADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC001307795328 1070185424 /nfs/dbraw/zinc/18/54/24/1070185424.db2.gz YHBYAQJEBSMFTN-UHFFFAOYSA-N 1 1 450.992 3.647 20 0 JHADMO C[C@H]1CN(C(=O)CN(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796730 1070186137 /nfs/dbraw/zinc/18/61/37/1070186137.db2.gz QCTPUTRZFTWXRN-DHLKQENFSA-N 1 1 450.627 3.574 20 0 JHADMO O=C(C[N@H+]1CCCC[C@H]1Cc1ccccc1Br)NC1CCC2(CC1)OCCO2 ZINC001307799578 1070187148 /nfs/dbraw/zinc/18/71/48/1070187148.db2.gz MPOPWEPZBFHQBK-IBGZPJMESA-N 1 1 451.405 3.648 20 0 JHADMO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br)NC1CCC2(CC1)OCCO2 ZINC001307799578 1070187152 /nfs/dbraw/zinc/18/71/52/1070187152.db2.gz MPOPWEPZBFHQBK-IBGZPJMESA-N 1 1 451.405 3.648 20 0 JHADMO 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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 1070212707 /nfs/dbraw/zinc/21/27/07/1070212707.db2.gz LKOFBEKZOYRXSE-UPZYVNNASA-N 1 1 462.610 3.900 20 0 JHADMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307856540 1070213017 /nfs/dbraw/zinc/21/30/17/1070213017.db2.gz ISRFIDPKMOOJJW-RTBURBONSA-N 1 1 458.599 3.786 20 0 JHADMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307856540 1070213029 /nfs/dbraw/zinc/21/30/29/1070213029.db2.gz ISRFIDPKMOOJJW-RTBURBONSA-N 1 1 458.599 3.786 20 0 JHADMO O=C(CC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862657 1070215607 /nfs/dbraw/zinc/21/56/07/1070215607.db2.gz BWQIFLALSUZYPC-OAHLLOKOSA-N 1 1 450.299 3.624 20 0 JHADMO Cn1cc([C@@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307864576 1070216686 /nfs/dbraw/zinc/21/66/86/1070216686.db2.gz CEECFUSKHVCAEH-AZUAARDMSA-N 1 1 477.005 3.770 20 0 JHADMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC001307876131 1070219498 /nfs/dbraw/zinc/21/94/98/1070219498.db2.gz YYBVSTWZQIUOGG-IBGZPJMESA-N 1 1 457.565 3.681 20 0 JHADMO CN(C(=O)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1nc2ccccc2s1 ZINC001307877441 1070219736 /nfs/dbraw/zinc/21/97/36/1070219736.db2.gz MBZTZRFFAPULMN-SFHVURJKSA-N 1 1 454.571 3.817 20 0 JHADMO CN(C(=O)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1nc2ccccc2s1 ZINC001307877441 1070219751 /nfs/dbraw/zinc/21/97/51/1070219751.db2.gz MBZTZRFFAPULMN-SFHVURJKSA-N 1 1 454.571 3.817 20 0 JHADMO Brc1ccccc1-c1cnc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)o1 ZINC001307882823 1070223070 /nfs/dbraw/zinc/22/30/70/1070223070.db2.gz RGGDAYHNDLKUBQ-MRXNPFEDSA-N 1 1 452.418 3.744 20 0 JHADMO Brc1ccccc1-c1cnc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)o1 ZINC001307882823 1070223077 /nfs/dbraw/zinc/22/30/77/1070223077.db2.gz RGGDAYHNDLKUBQ-MRXNPFEDSA-N 1 1 452.418 3.744 20 0 JHADMO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001307877454 1070220599 /nfs/dbraw/zinc/22/05/99/1070220599.db2.gz MITCZUKZSQBFLQ-IBGZPJMESA-N 1 1 457.546 3.549 20 0 JHADMO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001307877454 1070220611 /nfs/dbraw/zinc/22/06/11/1070220611.db2.gz MITCZUKZSQBFLQ-IBGZPJMESA-N 1 1 457.546 3.549 20 0 JHADMO Brc1cncc(O[C@H]2CC[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)c1 ZINC001307882893 1070223294 /nfs/dbraw/zinc/22/32/94/1070223294.db2.gz SADGLYPRVGAVNU-IBGZPJMESA-N 1 1 457.376 3.821 20 0 JHADMO 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 1070222558 /nfs/dbraw/zinc/22/25/58/1070222558.db2.gz FFVNPKQKEWLRKF-FBROZUCGSA-N 1 1 479.017 3.945 20 0 JHADMO 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 1070228168 /nfs/dbraw/zinc/22/81/68/1070228168.db2.gz BFPKMJSVDPMXEQ-HBMCJLEFSA-N 1 1 478.682 3.628 20 0 JHADMO COCC[N@H+]1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C(C)(C)C1 ZINC001307891907 1070227644 /nfs/dbraw/zinc/22/76/44/1070227644.db2.gz GDWMYRJALXERDZ-NRFANRHFSA-N 1 1 458.990 3.653 20 0 JHADMO CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](Oc4cncc(Br)c4)C3)cc(=O)oc2c1 ZINC001307883803 1070224068 /nfs/dbraw/zinc/22/40/68/1070224068.db2.gz YIQMBAJZPQKMDK-QGZVFWFLSA-N 1 1 458.312 3.562 20 0 JHADMO 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 1070225140 /nfs/dbraw/zinc/22/51/40/1070225140.db2.gz FPKAXGSZZQCJFU-GBAJDQEWSA-N 1 1 459.587 3.939 20 0 JHADMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893121 1070228402 /nfs/dbraw/zinc/22/84/02/1070228402.db2.gz GSOUGZYSWJSOBW-MAUKXSAKSA-N 1 1 452.304 3.657 20 0 JHADMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001307893121 1070228412 /nfs/dbraw/zinc/22/84/12/1070228412.db2.gz GSOUGZYSWJSOBW-MAUKXSAKSA-N 1 1 452.304 3.657 20 0 JHADMO 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CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCCCO)C[C@@H]1C ZINC001313859470 1071363448 /nfs/dbraw/zinc/36/34/48/1071363448.db2.gz GJDSLJAPKJPPTP-DLBZAZTESA-N 1 1 450.425 3.789 20 0 JHADMO CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314925562 1071369010 /nfs/dbraw/zinc/36/90/10/1071369010.db2.gz BLDBILUAOLJMIN-MYRUOYEDSA-N 1 1 480.028 3.692 20 0 JHADMO 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 1071371781 /nfs/dbraw/zinc/37/17/81/1071371781.db2.gz NQISBXYSEAXOAY-MEZWHVQBSA-N 1 1 479.572 3.517 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001314928928 1071371966 /nfs/dbraw/zinc/37/19/66/1071371966.db2.gz QINRBFBXYRXQDC-SFHVURJKSA-N 1 1 498.466 3.536 20 0 JHADMO C[N@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001314927877 1071370928 /nfs/dbraw/zinc/37/09/28/1071370928.db2.gz MTBCFTWWZXWTHO-NRFANRHFSA-N 1 1 468.092 3.622 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001314928922 1071372312 /nfs/dbraw/zinc/37/23/12/1071372312.db2.gz QGRPGNCLKLSBCJ-QFIPXVFZSA-N 1 1 484.664 3.975 20 0 JHADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC001310409447 1071373794 /nfs/dbraw/zinc/37/37/94/1071373794.db2.gz RLDGWYVVENGOND-MGPUTAFESA-N 1 1 453.008 3.841 20 0 JHADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001313861632 1071374462 /nfs/dbraw/zinc/37/44/62/1071374462.db2.gz PVXWCAAGKPQVEP-DLBZAZTESA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001313861632 1071374476 /nfs/dbraw/zinc/37/44/76/1071374476.db2.gz PVXWCAAGKPQVEP-DLBZAZTESA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC001313861635 1071374976 /nfs/dbraw/zinc/37/49/76/1071374976.db2.gz PVXWCAAGKPQVEP-SJORKVTESA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC001313861635 1071374992 /nfs/dbraw/zinc/37/49/92/1071374992.db2.gz PVXWCAAGKPQVEP-SJORKVTESA-N 1 1 468.067 3.731 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313863843 1071383384 /nfs/dbraw/zinc/38/33/84/1071383384.db2.gz UHSOCMKVSOHVOP-NHCUHLMSSA-N 1 1 452.647 3.535 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@@H]1C ZINC001313862789 1071379218 /nfs/dbraw/zinc/37/92/18/1071379218.db2.gz RUSCZSWOWQVZKK-UFYCRDLUSA-N 1 1 486.636 3.783 20 0 JHADMO 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 1071379365 /nfs/dbraw/zinc/37/93/65/1071379365.db2.gz UJWLZEDIUYVJNR-OALUTQOASA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@H]1C ZINC001313864675 1071388421 /nfs/dbraw/zinc/38/84/21/1071388421.db2.gz VPOZQORNMKZTCD-TVZXLZGTSA-N 1 1 455.647 3.870 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313864011 1071384029 /nfs/dbraw/zinc/38/40/29/1071384029.db2.gz LHNDFRXYFVMWAR-HOTGVXAUSA-N 1 1 490.425 3.742 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@@H]1C ZINC001313864202 1071386525 /nfs/dbraw/zinc/38/65/25/1071386525.db2.gz YAERXDBDPMYLJB-ROUUACIJSA-N 1 1 473.668 3.572 20 0 JHADMO 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 1071391465 /nfs/dbraw/zinc/39/14/65/1071391465.db2.gz WNTKDWWFKBYLAY-GBESFXJTSA-N 1 1 474.625 3.781 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313865830 1071393774 /nfs/dbraw/zinc/39/37/74/1071393774.db2.gz PGUIWZGVBYEIMP-MOPGFXCFSA-N 1 1 479.629 3.649 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@@H]1C ZINC001313864936 1071389126 /nfs/dbraw/zinc/38/91/26/1071389126.db2.gz ZLPZICDGSWEOFI-ROUUACIJSA-N 1 1 458.676 3.721 20 0 JHADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC(CC)(CC)OC)c2ccccc2c1=O ZINC001313865008 1071390383 /nfs/dbraw/zinc/39/03/83/1071390383.db2.gz NNYIVSOQWZULOD-PMACEKPBSA-N 1 1 495.672 3.799 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313867063 1071396964 /nfs/dbraw/zinc/39/69/64/1071396964.db2.gz JEZUIKHKPQXTLT-MXBUBSDBSA-N 1 1 457.619 3.915 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001313868449 1071404395 /nfs/dbraw/zinc/40/43/95/1071404395.db2.gz BIQDTVMYLACKFP-UXHICEINSA-N 1 1 481.645 3.826 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313868415 1071404614 /nfs/dbraw/zinc/40/46/14/1071404614.db2.gz NDAROFLRBCJNKZ-ACRUOGEOSA-N 1 1 468.646 3.522 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@H]1C ZINC001313869793 1071410014 /nfs/dbraw/zinc/41/00/14/1071410014.db2.gz QNNVGKUBTLEFDJ-HZPDHXFCSA-N 1 1 489.418 3.809 20 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JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313870112 1071412570 /nfs/dbraw/zinc/41/25/70/1071412570.db2.gz FQOAJASBDZBDMJ-HSALFYBXSA-N 1 1 471.650 3.905 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@@H]1C ZINC001313870868 1071415200 /nfs/dbraw/zinc/41/52/00/1071415200.db2.gz FVROWLYCRHGCCS-PMACEKPBSA-N 1 1 451.594 3.925 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870905 1071415866 /nfs/dbraw/zinc/41/58/66/1071415866.db2.gz FXPVRXPFIDLOHS-ZWKOTPCHSA-N 1 1 465.568 3.533 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313871634 1071417388 /nfs/dbraw/zinc/41/73/88/1071417388.db2.gz GVMKKFFBCSJODW-DLBZAZTESA-N 1 1 456.541 3.518 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313872201 1071419753 /nfs/dbraw/zinc/41/97/53/1071419753.db2.gz JIUAHHKANWQCQA-LSDHHAIUSA-N 1 1 465.549 3.977 20 0 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CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313904204 1071517621 /nfs/dbraw/zinc/51/76/21/1071517621.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 1 1 484.689 3.505 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001313904688 1071519133 /nfs/dbraw/zinc/51/91/33/1071519133.db2.gz RYKQVMUSSQLJRG-VQTJNVASSA-N 1 1 451.537 3.705 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 ZINC001313906914 1071526010 /nfs/dbraw/zinc/52/60/10/1071526010.db2.gz SYLHCBBHLVKUNU-SFTDATJTSA-N 1 1 474.650 3.617 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001315001453 1071524554 /nfs/dbraw/zinc/52/45/54/1071524554.db2.gz YXRULQDYONJVKN-UHFFFAOYSA-N 1 1 495.441 3.539 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313905276 1071521243 /nfs/dbraw/zinc/52/12/43/1071521243.db2.gz OUBDDINZFNYANU-OALUTQOASA-N 1 1 495.466 3.542 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001313905281 1071521334 /nfs/dbraw/zinc/52/13/34/1071521334.db2.gz OYOQTVAKQLGJMO-NRFANRHFSA-N 1 1 467.618 3.515 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001313905282 1071521354 /nfs/dbraw/zinc/52/13/54/1071521354.db2.gz OYOQTVAKQLGJMO-OAQYLSRUSA-N 1 1 467.618 3.515 20 0 JHADMO CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 ZINC001313907010 1071525767 /nfs/dbraw/zinc/52/57/67/1071525767.db2.gz VIUXAVCNEMKYFP-HXUWFJFHSA-N 1 1 458.676 3.594 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 ZINC001313907010 1071525774 /nfs/dbraw/zinc/52/57/74/1071525774.db2.gz VIUXAVCNEMKYFP-HXUWFJFHSA-N 1 1 458.676 3.594 20 0 JHADMO 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 1071525787 /nfs/dbraw/zinc/52/57/87/1071525787.db2.gz SCOHZJVCNOHJST-OTWHNJEPSA-N 1 1 489.690 3.934 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001313906225 1071523461 /nfs/dbraw/zinc/52/34/61/1071523461.db2.gz VIIHABGSXASUGV-NJDAHSKKSA-N 1 1 498.697 3.934 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313909045 1071530916 /nfs/dbraw/zinc/53/09/16/1071530916.db2.gz MFHXLUWJVPZSSM-FQEVSTJZSA-N 1 1 489.690 3.565 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001313907511 1071527200 /nfs/dbraw/zinc/52/72/00/1071527200.db2.gz HBPZMKJCUVZDQE-HKUYNNGSSA-N 1 1 489.462 3.639 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001313907314 1071527496 /nfs/dbraw/zinc/52/74/96/1071527496.db2.gz BRRLYADSDLVUGV-IAGOWNOFSA-N 1 1 498.981 3.978 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313908666 1071531038 /nfs/dbraw/zinc/53/10/38/1071531038.db2.gz AOJOZYLMDXWJAK-PWRODBHTSA-N 1 1 460.667 3.525 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313909339 1071532493 /nfs/dbraw/zinc/53/24/93/1071532493.db2.gz OBVSPSPXMYLVTJ-JOCHJYFZSA-N 1 1 465.650 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CO)CC1 ZINC001313909320 1071532638 /nfs/dbraw/zinc/53/26/38/1071532638.db2.gz RRLQSHNOTKMFSM-QFIPXVFZSA-N 1 1 471.646 3.824 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 ZINC001313909987 1071533803 /nfs/dbraw/zinc/53/38/03/1071533803.db2.gz JBNLQMILVOHIQJ-NRFANRHFSA-N 1 1 458.676 3.933 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001315015007 1071535603 /nfs/dbraw/zinc/53/56/03/1071535603.db2.gz HHACBMQBMRTFAY-UHFFFAOYSA-N 1 1 466.674 3.765 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313913082 1071541930 /nfs/dbraw/zinc/54/19/30/1071541930.db2.gz KJBUAYWDDDOGMQ-RBBKRZOGSA-N 1 1 482.673 3.731 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001313911208 1071537656 /nfs/dbraw/zinc/53/76/56/1071537656.db2.gz ACXQKGXXPAJRQQ-LJQANCHMSA-N 1 1 477.078 3.800 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313911932 1071538520 /nfs/dbraw/zinc/53/85/20/1071538520.db2.gz STFWQTIFVINMJV-NRSPTQNISA-N 1 1 469.634 3.564 20 0 JHADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313914007 1071546209 /nfs/dbraw/zinc/54/62/09/1071546209.db2.gz ORNVFUFMEWMTGJ-SIKLNZKXSA-N 1 1 486.636 3.736 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914759 1071548750 /nfs/dbraw/zinc/54/87/50/1071548750.db2.gz NPJCIUDDYJAJFN-LGVFNWMJSA-N 1 1 465.708 3.771 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914918 1071549179 /nfs/dbraw/zinc/54/91/79/1071549179.db2.gz OXRURTUQAHXLOH-PWRODBHTSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)cc1 ZINC001313914900 1071549323 /nfs/dbraw/zinc/54/93/23/1071549323.db2.gz OWCRMYIDGBADBF-FUDKSRODSA-N 1 1 457.619 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915580 1071550954 /nfs/dbraw/zinc/55/09/54/1071550954.db2.gz YIXWMINEGRHLEN-FDFHNCONSA-N 1 1 490.693 3.740 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001315026282 1071551407 /nfs/dbraw/zinc/55/14/07/1071551407.db2.gz XCFDDTWOAULYKY-RBBKRZOGSA-N 1 1 454.663 3.839 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313915811 1071551592 /nfs/dbraw/zinc/55/15/92/1071551592.db2.gz SWSSBFDKWODIFJ-YCRNBWNJSA-N 1 1 455.594 3.675 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001315027389 1071554069 /nfs/dbraw/zinc/55/40/69/1071554069.db2.gz QMDCRFCIDQWGAB-ROUUACIJSA-N 1 1 477.053 3.690 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001315028196 1071555562 /nfs/dbraw/zinc/55/55/62/1071555562.db2.gz ANDCZXWJGXUSPZ-MOPGFXCFSA-N 1 1 452.603 3.774 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001315029051 1071557404 /nfs/dbraw/zinc/55/74/04/1071557404.db2.gz PCZVNLNSPVFTAD-QGZVFWFLSA-N 1 1 458.676 3.721 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001313919812 1071558237 /nfs/dbraw/zinc/55/82/37/1071558237.db2.gz GLRSFSOYOHZERL-GOSISDBHSA-N 1 1 468.602 3.658 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCOC)CC1 ZINC001313921000 1071560713 /nfs/dbraw/zinc/56/07/13/1071560713.db2.gz NJGQCSLFRBJPNF-OAQYLSRUSA-N 1 1 456.679 3.741 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)C)CC2)CC1 ZINC001313923362 1071566709 /nfs/dbraw/zinc/56/67/09/1071566709.db2.gz JQEMOXHPGLFPFK-UHFFFAOYSA-N 1 1 482.673 3.592 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)CC1 ZINC001313924434 1071570303 /nfs/dbraw/zinc/57/03/03/1071570303.db2.gz FVNNUMYKGPEBOR-INIZCTEOSA-N 1 1 485.421 3.825 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)CCC(C)C)CC2)CC1 ZINC001313923629 1071567448 /nfs/dbraw/zinc/56/74/48/1071567448.db2.gz ROLWUJGJCPPXSQ-MHZLTWQESA-N 1 1 490.737 3.533 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)CC1 ZINC001313923750 1071568221 /nfs/dbraw/zinc/56/82/21/1071568221.db2.gz RZDKFBHCWKICIC-HSZRJFAPSA-N 1 1 488.721 3.696 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926177 1071575708 /nfs/dbraw/zinc/57/57/08/1071575708.db2.gz ATPBUMWZHNISDD-SIKLNZKXSA-N 1 1 475.081 3.833 20 0 JHADMO CNC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001315042048 1071574212 /nfs/dbraw/zinc/57/42/12/1071574212.db2.gz CWRCSOWIXQMUMX-ZWKOTPCHSA-N 1 1 475.037 3.518 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313927085 1071578857 /nfs/dbraw/zinc/57/88/57/1071578857.db2.gz ZYICGDGLGDQYQL-KRWDZBQOSA-N 1 1 460.001 3.728 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001313928303 1071583211 /nfs/dbraw/zinc/58/32/11/1071583211.db2.gz ACUYTIPKMSSCJH-RBUKOAKNSA-N 1 1 477.053 3.743 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313929841 1071588036 /nfs/dbraw/zinc/58/80/36/1071588036.db2.gz AMNUAVGDDSAGQC-FQEVSTJZSA-N 1 1 494.640 3.810 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@@H]1C ZINC001313930884 1071590074 /nfs/dbraw/zinc/59/00/74/1071590074.db2.gz CZUWPWRBOXDNEG-CPJSRVTESA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313930928 1071591055 /nfs/dbraw/zinc/59/10/55/1071591055.db2.gz OHIDDHAUIJVCPS-OALUTQOASA-N 1 1 467.593 3.597 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC001313931498 1071592835 /nfs/dbraw/zinc/59/28/35/1071592835.db2.gz FATPEZOROUPNHH-LVXARBLLSA-N 1 1 471.646 3.685 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313931574 1071592855 /nfs/dbraw/zinc/59/28/55/1071592855.db2.gz FSCRNTKQSLTWRP-MRXNPFEDSA-N 1 1 471.403 3.690 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC001313933210 1071597196 /nfs/dbraw/zinc/59/71/96/1071597196.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 1 1 491.478 3.731 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCC[N@H+]2CC)C[C@H]1C ZINC001313933210 1071597201 /nfs/dbraw/zinc/59/72/01/1071597201.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 1 1 491.478 3.731 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)COC)C[C@H]1C ZINC001313933700 1071598969 /nfs/dbraw/zinc/59/89/69/1071598969.db2.gz QATQFYMWVSWOTR-VQTJNVASSA-N 1 1 453.587 3.930 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313933705 1071599259 /nfs/dbraw/zinc/59/92/59/1071599259.db2.gz MTKQQUOXQXWTMI-ZDUSSCGKSA-N 1 1 464.437 3.574 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSC(F)(F)F)C[C@@H]1C ZINC001313933673 1071599318 /nfs/dbraw/zinc/59/93/18/1071599318.db2.gz MIYDNCBYEZDRTC-NSHDSACASA-N 1 1 467.359 3.819 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313933830 1071599590 /nfs/dbraw/zinc/59/95/90/1071599590.db2.gz MAPPXUXFHGFFNN-LJQANCHMSA-N 1 1 498.031 3.805 20 0 JHADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313933930 1071600328 /nfs/dbraw/zinc/60/03/28/1071600328.db2.gz PAGQKICCIBSDSR-JWZKTCGFSA-N 1 1 498.716 3.979 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001313935087 1071604778 /nfs/dbraw/zinc/60/47/78/1071604778.db2.gz WFAJNGVLBVZBKE-JXFKEZNVSA-N 1 1 480.451 3.918 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccs2)C[C@H]1C ZINC001313935671 1071606556 /nfs/dbraw/zinc/60/65/56/1071606556.db2.gz YPCWSYPHXWVAAI-LJQANCHMSA-N 1 1 452.628 3.982 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@H]1C ZINC001313935687 1071606662 /nfs/dbraw/zinc/60/66/62/1071606662.db2.gz YZRRTKPMQRSVHW-QAPCUYQASA-N 1 1 470.515 3.568 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)C[C@@H]1C ZINC001313936526 1071608618 /nfs/dbraw/zinc/60/86/18/1071608618.db2.gz PPLOAVGSIHSPTG-INIZCTEOSA-N 1 1 466.424 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)C[C@H]1C ZINC001313936741 1071609110 /nfs/dbraw/zinc/60/91/10/1071609110.db2.gz IDCKIILHXGFZGE-QZTJIDSGSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001313937097 1071610157 /nfs/dbraw/zinc/61/01/57/1071610157.db2.gz SFVQKULRXLAFOP-SJORKVTESA-N 1 1 456.616 3.753 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)C[C@@H]1C ZINC001313937447 1071610290 /nfs/dbraw/zinc/61/02/90/1071610290.db2.gz ULJPUIWKPJXJSA-QKKBWIMNSA-N 1 1 466.399 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313937333 1071610828 /nfs/dbraw/zinc/61/08/28/1071610828.db2.gz LGAFCXCNSVPJBE-INIZCTEOSA-N 1 1 452.525 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@H]1C ZINC001313937388 1071610911 /nfs/dbraw/zinc/61/09/11/1071610911.db2.gz MBBWRLTXJKZHRV-FYYLOGMGSA-N 1 1 498.672 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313939479 1071613458 /nfs/dbraw/zinc/61/34/58/1071613458.db2.gz BEOABMNIJWZWDD-IFMALSPDSA-N 1 1 478.607 3.868 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940464 1071614786 /nfs/dbraw/zinc/61/47/86/1071614786.db2.gz MCAYEBYWJSHVIZ-APWZRJJASA-N 1 1 459.689 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccs2)C[C@H]1C ZINC001313941431 1071616848 /nfs/dbraw/zinc/61/68/48/1071616848.db2.gz CWPUOMNFPVSCKA-OAHLLOKOSA-N 1 1 477.432 3.655 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313942025 1071618799 /nfs/dbraw/zinc/61/87/99/1071618799.db2.gz GYQCPDDAFZWONT-LVXARBLLSA-N 1 1 455.647 3.946 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C[C@H]1C ZINC001313942029 1071619049 /nfs/dbraw/zinc/61/90/49/1071619049.db2.gz HCEFIULUWZMILA-LJQANCHMSA-N 1 1 452.603 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC(C)C)c2ccccc2OC)C[C@H]1C ZINC001313942077 1071619702 /nfs/dbraw/zinc/61/97/02/1071619702.db2.gz YXXJWCYICIUQNZ-PXDATVDWSA-N 1 1 478.641 3.969 20 0 JHADMO 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 1071620169 /nfs/dbraw/zinc/62/01/69/1071620169.db2.gz IREBHFPKNIRKRG-NRSPTQNISA-N 1 1 484.645 3.636 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942643 1071620879 /nfs/dbraw/zinc/62/08/79/1071620879.db2.gz JOABDOGGDOEKID-GMAHTHKFSA-N 1 1 498.716 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313943303 1071622649 /nfs/dbraw/zinc/62/26/49/1071622649.db2.gz RICXDBXSCLIEMM-LJQANCHMSA-N 1 1 470.643 3.656 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@H]1C ZINC001313943646 1071623726 /nfs/dbraw/zinc/62/37/26/1071623726.db2.gz UJYFONDYXDAHFU-QTEQDKRBSA-N 1 1 471.646 3.519 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629038 /nfs/dbraw/zinc/62/90/38/1071629038.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 1 1 454.663 3.528 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629043 /nfs/dbraw/zinc/62/90/43/1071629043.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 1 1 454.663 3.528 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313947302 1071630956 /nfs/dbraw/zinc/63/09/56/1071630956.db2.gz VTZRGVSPCOEVFS-FQEVSTJZSA-N 1 1 486.661 3.713 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCCSC)C2)CC1 ZINC001313947921 1071632739 /nfs/dbraw/zinc/63/27/39/1071632739.db2.gz DIHJSGNPSFAXMC-IBGZPJMESA-N 1 1 478.657 3.507 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313947734 1071632772 /nfs/dbraw/zinc/63/27/72/1071632772.db2.gz YHWARVZLRFXJRI-IBGZPJMESA-N 1 1 486.636 3.938 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313948770 1071634055 /nfs/dbraw/zinc/63/40/55/1071634055.db2.gz RONRTNTVGUDWBA-REWPJTCUSA-N 1 1 486.730 3.948 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001313948087 1071633294 /nfs/dbraw/zinc/63/32/94/1071633294.db2.gz BPKIHFWNYIPYMP-IBGZPJMESA-N 1 1 496.626 3.732 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC001313950632 1071639339 /nfs/dbraw/zinc/63/93/39/1071639339.db2.gz BCVNEAMEFXPPIY-UHFFFAOYSA-N 1 1 489.108 3.961 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001313950655 1071639350 /nfs/dbraw/zinc/63/93/50/1071639350.db2.gz BOHSFEMLCKTQIN-HXUWFJFHSA-N 1 1 460.642 3.752 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635172 /nfs/dbraw/zinc/63/51/72/1071635172.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635176 /nfs/dbraw/zinc/63/51/76/1071635176.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 1 1 458.676 3.594 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313949104 1071635220 /nfs/dbraw/zinc/63/52/20/1071635220.db2.gz HQLGZCFDTFUJAJ-UFYCRDLUSA-N 1 1 476.616 3.912 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313949670 1071636863 /nfs/dbraw/zinc/63/68/63/1071636863.db2.gz NRKCOVFGENWZNC-GOTSBHOMSA-N 1 1 489.108 3.800 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001313950042 1071637651 /nfs/dbraw/zinc/63/76/51/1071637651.db2.gz MBPHEARBMMMCES-HXUWFJFHSA-N 1 1 468.671 3.925 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313950835 1071640000 /nfs/dbraw/zinc/64/00/00/1071640000.db2.gz XQIAQOXXJQSSJV-GOSISDBHSA-N 1 1 489.546 3.747 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950665 1071639328 /nfs/dbraw/zinc/63/93/28/1071639328.db2.gz BUFKIKOQXBYWTB-WMZHIEFXSA-N 1 1 490.643 3.705 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313951140 1071641107 /nfs/dbraw/zinc/64/11/07/1071641107.db2.gz ZYVXWFCQIMGLGQ-OAQYLSRUSA-N 1 1 470.662 3.661 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313951332 1071641825 /nfs/dbraw/zinc/64/18/25/1071641825.db2.gz GFWDJXYQJPGKDN-OALUTQOASA-N 1 1 492.510 3.936 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001313951475 1071642302 /nfs/dbraw/zinc/64/23/02/1071642302.db2.gz UIAFHYUDMZBXCK-QFIPXVFZSA-N 1 1 468.690 3.551 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313951651 1071642970 /nfs/dbraw/zinc/64/29/70/1071642970.db2.gz APPULZLDTPQSAQ-LEWJYISDSA-N 1 1 465.621 3.950 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313952503 1071645753 /nfs/dbraw/zinc/64/57/53/1071645753.db2.gz FNVCFSGYAVUYQE-DENIHFKCSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313952506 1071645852 /nfs/dbraw/zinc/64/58/52/1071645852.db2.gz FNVCFSGYAVUYQE-UGKGYDQZSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313952975 1071647155 /nfs/dbraw/zinc/64/71/55/1071647155.db2.gz JCSGZQFTIZSOOT-OAQYLSRUSA-N 1 1 472.653 3.752 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC3CCCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001313953735 1071649588 /nfs/dbraw/zinc/64/95/88/1071649588.db2.gz JDYWYKVTJWGFLB-OAQYLSRUSA-N 1 1 499.670 3.501 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001313954130 1071650592 /nfs/dbraw/zinc/65/05/92/1071650592.db2.gz OBTQAUCXBWMOIU-UXHICEINSA-N 1 1 476.616 3.675 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCN(c4ccc(C)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313954128 1071650661 /nfs/dbraw/zinc/65/06/61/1071650661.db2.gz OBJOOTVRIXZQMZ-UHFFFAOYSA-N 1 1 467.706 3.628 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313954481 1071651765 /nfs/dbraw/zinc/65/17/65/1071651765.db2.gz OSYMRYVGDSXFLW-FQEVSTJZSA-N 1 1 478.110 3.743 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313954623 1071652406 /nfs/dbraw/zinc/65/24/06/1071652406.db2.gz QJLFBAGSMYFMFK-FQEVSTJZSA-N 1 1 461.605 3.548 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313954694 1071652425 /nfs/dbraw/zinc/65/24/25/1071652425.db2.gz PCLQTGJNWJEEEB-OAQYLSRUSA-N 1 1 467.637 3.723 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313955051 1071654090 /nfs/dbraw/zinc/65/40/90/1071654090.db2.gz DTOWZLMPBFKJFQ-FPOVZHCZSA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313955027 1071654289 /nfs/dbraw/zinc/65/42/89/1071654289.db2.gz DJYITGONVRNODR-QKNQBKEWSA-N 1 1 470.628 3.919 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(OC)cc3C2)CC1 ZINC001313957968 1071662444 /nfs/dbraw/zinc/66/24/44/1071662444.db2.gz SXDJOCFFCVTINS-OAQYLSRUSA-N 1 1 468.690 3.712 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313957249 1071659470 /nfs/dbraw/zinc/65/94/70/1071659470.db2.gz PYRZAQPIAZCPJO-YADHBBJMSA-N 1 1 490.643 3.921 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001313957111 1071659545 /nfs/dbraw/zinc/65/95/45/1071659545.db2.gz OTBGJMHSZJEXQT-DNQXCXABSA-N 1 1 452.691 3.963 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957630 1071660755 /nfs/dbraw/zinc/66/07/55/1071660755.db2.gz RBAKKJOZZVYXAW-FQEVSTJZSA-N 1 1 476.616 3.593 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313957854 1071661835 /nfs/dbraw/zinc/66/18/35/1071661835.db2.gz LCHNYCBMSXGFAX-UHFFFAOYSA-N 1 1 463.468 3.827 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313958926 1071665276 /nfs/dbraw/zinc/66/52/76/1071665276.db2.gz YVKWRMLIGBOFMX-VABKMULXSA-N 1 1 486.730 3.769 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313959121 1071665743 /nfs/dbraw/zinc/66/57/43/1071665743.db2.gz ZSVVSOOOENOLRC-OAQYLSRUSA-N 1 1 452.672 3.840 20 0 JHADMO CCN1CC[NH+](CCCn2c(N3CC[C@@H](Oc4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313959271 1071666224 /nfs/dbraw/zinc/66/62/24/1071666224.db2.gz OJHWULQSTMEITR-HXUWFJFHSA-N 1 1 475.081 3.914 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(Br)c2)CC1 ZINC001313959571 1071666768 /nfs/dbraw/zinc/66/67/68/1071666768.db2.gz WQIBSQTZGRRVFQ-OAQYLSRUSA-N 1 1 491.478 3.556 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313960113 1071669310 /nfs/dbraw/zinc/66/93/10/1071669310.db2.gz DUGJTBDFAAODIN-UHFFFAOYSA-N 1 1 486.730 3.833 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313960647 1071670500 /nfs/dbraw/zinc/67/05/00/1071670500.db2.gz MLKGTWYNPYZVGU-LJQANCHMSA-N 1 1 492.510 3.936 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313960797 1071671157 /nfs/dbraw/zinc/67/11/57/1071671157.db2.gz MQXMTRKIEGMZQD-FQEVSTJZSA-N 1 1 483.611 3.767 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313961013 1071671723 /nfs/dbraw/zinc/67/17/23/1071671723.db2.gz OQMULJHKKDNAOI-DHIUTWEWSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001313961509 1071672752 /nfs/dbraw/zinc/67/27/52/1071672752.db2.gz UPOFIOPBFFVETF-QFQXNSOFSA-N 1 1 488.652 3.590 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)CCOC)c2ccccc2c1=O ZINC001313965862 1071685237 /nfs/dbraw/zinc/68/52/37/1071685237.db2.gz GDRUQZVSHXZBOJ-UHFFFAOYSA-N 1 1 495.672 3.658 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313972652 1071699121 /nfs/dbraw/zinc/69/91/21/1071699121.db2.gz MPDMURRGTQUXSH-UHFFFAOYSA-N 1 1 484.689 3.892 20 0 JHADMO 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COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164807919 720094120 /nfs/dbraw/zinc/09/41/20/720094120.db2.gz GLJANYJKUXJWJM-NBGIEHNGSA-N 1 1 467.017 3.713 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164718538 720114486 /nfs/dbraw/zinc/11/44/86/720114486.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 1 1 498.675 3.937 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)CC2 ZINC001164718542 720114828 /nfs/dbraw/zinc/11/48/28/720114828.db2.gz RXWXCBDNXJENKC-GOSISDBHSA-N 1 1 494.970 3.969 20 0 JHADMO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713561 720128398 /nfs/dbraw/zinc/12/83/98/720128398.db2.gz RZDPOOJEHWVDNH-CRDZDMIISA-N 1 1 450.583 3.560 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164714053 720140858 /nfs/dbraw/zinc/14/08/58/720140858.db2.gz VTXKDAJGLNHJMS-GOSISDBHSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164711255 720156345 /nfs/dbraw/zinc/15/63/45/720156345.db2.gz AJDIJXGXZWBNDQ-QGZVFWFLSA-N 1 1 467.948 3.586 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811799 720200812 /nfs/dbraw/zinc/20/08/12/720200812.db2.gz KCWZQVTUNIYQCL-UZLBHIALSA-N 1 1 458.937 3.557 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811793 720200852 /nfs/dbraw/zinc/20/08/52/720200852.db2.gz KCWZQVTUNIYQCL-OXJNMPFZSA-N 1 1 458.937 3.557 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccccc3nc1Cl)CCC2 ZINC001164813895 720229008 /nfs/dbraw/zinc/22/90/08/720229008.db2.gz QZIIBXCKGFAORL-UHFFFAOYSA-N 1 1 462.932 3.635 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccn3)nc3sccc31)CCC2 ZINC001164816543 720241790 /nfs/dbraw/zinc/24/17/90/720241790.db2.gz KDVHBNJHJJQZFZ-UHFFFAOYSA-N 1 1 461.595 3.561 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CCC2 ZINC001164816087 720246314 /nfs/dbraw/zinc/24/63/14/720246314.db2.gz GEWNVFNLGOBSNW-UHFFFAOYSA-N 1 1 451.949 3.662 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C2)C1 ZINC001164721503 720282431 /nfs/dbraw/zinc/28/24/31/720282431.db2.gz KHDLHFFNNOBYHM-DEOSSOPVSA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C2)C1 ZINC001164721503 720282438 /nfs/dbraw/zinc/28/24/38/720282438.db2.gz KHDLHFFNNOBYHM-DEOSSOPVSA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)C2)C1 ZINC001164722315 720284876 /nfs/dbraw/zinc/28/48/76/720284876.db2.gz PQYQDMMRJICOAS-MUUNZHRXSA-N 1 1 474.605 3.575 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)C2)C1 ZINC001164722315 720284879 /nfs/dbraw/zinc/28/48/79/720284879.db2.gz PQYQDMMRJICOAS-MUUNZHRXSA-N 1 1 474.605 3.575 20 0 JHADMO Clc1nc2c(c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722684 720346502 /nfs/dbraw/zinc/34/65/02/720346502.db2.gz GLFQFSWEEWBGPY-BJKOFHAPSA-N 1 1 461.013 3.937 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@@H]21 ZINC001164833385 720519468 /nfs/dbraw/zinc/51/94/68/720519468.db2.gz DLFGJVQHGBRCAR-FKBYEOEOSA-N 1 1 471.049 3.935 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837929 720532646 /nfs/dbraw/zinc/53/26/46/720532646.db2.gz MRBXBGZGKVCSON-IRFCIJBXSA-N 1 1 480.638 3.956 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734636 720538832 /nfs/dbraw/zinc/53/88/32/720538832.db2.gz JQDXHVHWGAHDGB-NEKDWFFYSA-N 1 1 471.605 3.884 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734636 720538838 /nfs/dbraw/zinc/53/88/38/720538838.db2.gz JQDXHVHWGAHDGB-NEKDWFFYSA-N 1 1 471.605 3.884 20 0 JHADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833820 720543859 /nfs/dbraw/zinc/54/38/59/720543859.db2.gz BTGLEYRNJANZLB-NZRJUOQRSA-N 1 1 492.672 3.531 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164833777 720564013 /nfs/dbraw/zinc/56/40/13/720564013.db2.gz BPYOGOHOXSUAAK-BQFCYCMXSA-N 1 1 461.948 3.797 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842247 720600620 /nfs/dbraw/zinc/60/06/20/720600620.db2.gz UXVDQTIEFFCXCG-GPMSIDNRSA-N 1 1 467.948 3.641 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842249 720601422 /nfs/dbraw/zinc/60/14/22/720601422.db2.gz UXVDQTIEFFCXCG-TXPKVOOTSA-N 1 1 467.948 3.641 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838762 720611697 /nfs/dbraw/zinc/61/16/97/720611697.db2.gz LPRSMDMPUXOHDQ-QNWVGRARSA-N 1 1 471.049 3.935 20 0 JHADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738968 720662642 /nfs/dbraw/zinc/66/26/42/720662642.db2.gz LQRJLFGFLWYPFB-XZOQPEGZSA-N 1 1 450.546 3.943 20 0 JHADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736796 720699012 /nfs/dbraw/zinc/69/90/12/720699012.db2.gz BGRRXTXVVDSFAX-FGZHOGPDSA-N 1 1 485.979 3.991 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)no1 ZINC001164842311 720709527 /nfs/dbraw/zinc/70/95/27/720709527.db2.gz YDRFJKXJPOQNBS-OAQYLSRUSA-N 1 1 461.566 3.890 20 0 JHADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741151 720764137 /nfs/dbraw/zinc/76/41/37/720764137.db2.gz MKMQIAQQZWRDRM-HOTGVXAUSA-N 1 1 450.593 3.860 20 0 JHADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748245 720812535 /nfs/dbraw/zinc/81/25/35/720812535.db2.gz QCGCYMDCXCCLDV-RLFYNMQTSA-N 1 1 457.356 3.904 20 0 JHADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748243 720812803 /nfs/dbraw/zinc/81/28/03/720812803.db2.gz QCGCYMDCXCCLDV-IIDMSEBBSA-N 1 1 457.356 3.904 20 0 JHADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743454 720812830 /nfs/dbraw/zinc/81/28/30/720812830.db2.gz FZXVJWPMKTVNOW-HYVNUMGLSA-N 1 1 457.356 3.904 20 0 JHADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743450 720812870 /nfs/dbraw/zinc/81/28/70/720812870.db2.gz FZXVJWPMKTVNOW-BHYGNILZSA-N 1 1 457.356 3.904 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)n1 ZINC001164855578 720813410 /nfs/dbraw/zinc/81/34/10/720813410.db2.gz XJKLIFMVMWORPE-LEWJYISDSA-N 1 1 484.629 3.910 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738369 720821482 /nfs/dbraw/zinc/82/14/82/720821482.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 1 1 483.664 3.611 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738369 720821484 /nfs/dbraw/zinc/82/14/84/720821484.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 1 1 483.664 3.611 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)n1 ZINC001164846383 720822407 /nfs/dbraw/zinc/82/24/07/720822407.db2.gz FBYMLHSTDIWDPX-HKBOAZHASA-N 1 1 493.633 3.710 20 0 JHADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(Cl)c2c1 ZINC001164742649 720826551 /nfs/dbraw/zinc/82/65/51/720826551.db2.gz QFLSDHUNYKYVAA-XAUMDUMWSA-N 1 1 491.949 3.938 20 0 JHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742146 720827831 /nfs/dbraw/zinc/82/78/31/720827831.db2.gz PZAGTLHBKGOPBZ-OXFYSEKESA-N 1 1 458.397 3.908 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742528 720834044 /nfs/dbraw/zinc/83/40/44/720834044.db2.gz HGEZKHOBRSNOHF-IXDOHACOSA-N 1 1 469.005 3.973 20 0 JHADMO Clc1cc(Cc2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739521 720840506 /nfs/dbraw/zinc/84/05/06/720840506.db2.gz AXENVSVEONIBPK-YMPZKCBVSA-N 1 1 464.017 3.692 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751922 720844020 /nfs/dbraw/zinc/84/40/20/720844020.db2.gz ZNMFJUMURRBEPS-TXPKVOOTSA-N 1 1 469.005 3.973 20 0 JHADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744726 720845049 /nfs/dbraw/zinc/84/50/49/720845049.db2.gz LMPYHEVNAMMJJY-TZBSWOFLSA-N 1 1 472.641 3.591 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743006 720847332 /nfs/dbraw/zinc/84/73/32/720847332.db2.gz IBHUKUUQCRHJPX-JGOFVUBGSA-N 1 1 486.668 3.980 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@@H]2C1 ZINC001164851809 720848389 /nfs/dbraw/zinc/84/83/89/720848389.db2.gz HZNHKKYHGASQFB-DYVFJYSZSA-N 1 1 461.340 3.655 20 0 JHADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164754034 720852076 /nfs/dbraw/zinc/85/20/76/720852076.db2.gz ZUIRTVOLXGFAFX-OTNCWRBYSA-N 1 1 459.598 3.513 20 0 JHADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(C)n2)cc1 ZINC001164746030 720855422 /nfs/dbraw/zinc/85/54/22/720855422.db2.gz FHKRGRHOAFKSOS-YZUZCNPQSA-N 1 1 475.597 3.557 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164744095 720857359 /nfs/dbraw/zinc/85/73/59/720857359.db2.gz BOPSOUZKYVQNMS-AKIFATBCSA-N 1 1 480.016 3.680 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753888 720859108 /nfs/dbraw/zinc/85/91/08/720859108.db2.gz ZAWDRSXNRMKPCS-HLLBOEOZSA-N 1 1 473.355 3.784 20 0 JHADMO FC(F)(N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164744109 720860743 /nfs/dbraw/zinc/86/07/43/720860743.db2.gz BPAJLGZGIAEDMO-DFQSSKMNSA-N 1 1 462.976 3.826 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)CC[C@@H]2C1 ZINC001164854361 720865710 /nfs/dbraw/zinc/86/57/10/720865710.db2.gz JNTASIPMPNFERU-QUCCMNQESA-N 1 1 496.128 3.571 20 0 JHADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755457 720867313 /nfs/dbraw/zinc/86/73/13/720867313.db2.gz XHWLJCIZDWKFAD-OZXSUGGESA-N 1 1 450.631 3.755 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CCCCC4)nn2)C3)c1 ZINC001164749010 720869021 /nfs/dbraw/zinc/86/90/21/720869021.db2.gz GCPVPLGMPGSQRW-IGKIAQTJSA-N 1 1 462.642 3.617 20 0 JHADMO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164749131 720869872 /nfs/dbraw/zinc/86/98/72/720869872.db2.gz HDRQBUQRVSLSLR-KCWPFWIISA-N 1 1 464.610 3.717 20 0 JHADMO FC(F)(c1nccc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752494 720875109 /nfs/dbraw/zinc/87/51/09/720875109.db2.gz NDEKMHXZZIFISY-KNQAVFIVSA-N 1 1 463.960 3.825 20 0 JHADMO Clc1ncnc2[nH]cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164748030 720875736 /nfs/dbraw/zinc/87/57/36/720875736.db2.gz DLUYGFUBVLHBRD-NTKDMRAZSA-N 1 1 452.990 3.713 20 0 JHADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755498 720878827 /nfs/dbraw/zinc/87/88/27/720878827.db2.gz YAGFFZQBCOVPJY-UGKGYDQZSA-N 1 1 463.960 3.825 20 0 JHADMO CCOc1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754562 720882550 /nfs/dbraw/zinc/88/25/50/720882550.db2.gz JJNGMQCGZJVLEX-GBXCKJPGSA-N 1 1 458.006 3.679 20 0 JHADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757876 720882790 /nfs/dbraw/zinc/88/27/90/720882790.db2.gz WAKDTYIMCWMKBZ-AMGIVPHBSA-N 1 1 494.640 3.974 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@H]2C1 ZINC001164856722 720883412 /nfs/dbraw/zinc/88/34/12/720883412.db2.gz JBMGBKFCISVNMQ-WMZHIEFXSA-N 1 1 457.018 3.849 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)CC[C@H]2C1 ZINC001164862141 720891715 /nfs/dbraw/zinc/89/17/15/720891715.db2.gz QUAZZQGUGIAFSP-RXVVDRJESA-N 1 1 466.960 3.824 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC[C@@H]2C1 ZINC001164855397 720892195 /nfs/dbraw/zinc/89/21/95/720892195.db2.gz BPZOJVYMKQZVSI-UZLBHIALSA-N 1 1 470.923 3.655 20 0 JHADMO COc1cccc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164756871 720892339 /nfs/dbraw/zinc/89/23/39/720892339.db2.gz RSNYGMHKGVHKJH-YIXXDRMTSA-N 1 1 459.594 3.789 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccc(OC)cc4)nnc3Cl)CC[C@@H]2C1 ZINC001164855876 720892663 /nfs/dbraw/zinc/89/26/63/720892663.db2.gz CZVKTJOWKGRDLR-DYESRHJHSA-N 1 1 482.959 3.524 20 0 JHADMO Clc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755718 720895095 /nfs/dbraw/zinc/89/50/95/720895095.db2.gz NDCVIQPIAQGMMO-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO Clc1cnc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755717 720895166 /nfs/dbraw/zinc/89/51/66/720895166.db2.gz NDCVIQPIAQGMMO-NBGIEHNGSA-N 1 1 465.001 3.828 20 0 JHADMO Clc1cc2[nH]cnc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755916 720896007 /nfs/dbraw/zinc/89/60/07/720896007.db2.gz NFSAPCFXXXQLRK-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc2nc[nH]c2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755916 720896010 /nfs/dbraw/zinc/89/60/10/720896010.db2.gz NFSAPCFXXXQLRK-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc2nc[nH]c2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755916 720896013 /nfs/dbraw/zinc/89/60/13/720896013.db2.gz NFSAPCFXXXQLRK-DVECYGJZSA-N 1 1 452.990 3.761 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc(N4CCCCC4)n2)C3)c1 ZINC001164758835 720897459 /nfs/dbraw/zinc/89/74/59/720897459.db2.gz ZTWJPOPWDAEZIS-RPLLCQBOSA-N 1 1 462.642 3.617 20 0 JHADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855367 720899074 /nfs/dbraw/zinc/89/90/74/720899074.db2.gz BIOBXXHDTHSIPK-PWUYWRBVSA-N 1 1 483.616 3.593 20 0 JHADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855367 720899076 /nfs/dbraw/zinc/89/90/76/720899076.db2.gz BIOBXXHDTHSIPK-PWUYWRBVSA-N 1 1 483.616 3.593 20 0 JHADMO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753265 720921249 /nfs/dbraw/zinc/92/12/49/720921249.db2.gz RFJSJFZQDDXRIB-LEAFIULHSA-N 1 1 470.621 3.997 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856229 720959841 /nfs/dbraw/zinc/95/98/41/720959841.db2.gz CZFOJGKLWNIJOZ-ZDUSSCGKSA-N 1 1 453.012 3.647 20 0 JHADMO 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 ZINC001164864118 720987604 /nfs/dbraw/zinc/98/76/04/720987604.db2.gz XNWVWFPEOQAAHB-KSEUIEODSA-N 1 1 482.629 3.870 20 0 JHADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164758333 721013014 /nfs/dbraw/zinc/01/30/14/721013014.db2.gz IDZWSQSLWWSSRB-RYRVMRHHSA-N 1 1 497.643 3.677 20 0 JHADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164766956 721051686 /nfs/dbraw/zinc/05/16/86/721051686.db2.gz GIFZHECPQVHDHX-IZZNHLLZSA-N 1 1 453.590 3.723 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@@H]3C2)cn1 ZINC001164761727 721124859 /nfs/dbraw/zinc/12/48/59/721124859.db2.gz AVBZTLCJTGJZLB-GJZGRUSLSA-N 1 1 450.896 3.659 20 0 JHADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164871606 721148788 /nfs/dbraw/zinc/14/87/88/721148788.db2.gz FWIAHLNNEJFNGR-ICSRJNTNSA-N 1 1 455.921 3.936 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164763212 721242234 /nfs/dbraw/zinc/24/22/34/721242234.db2.gz MTJVZRMDGHWDHS-ZWKOTPCHSA-N 1 1 454.962 3.623 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@H]3C2)n1 ZINC001164762913 721256420 /nfs/dbraw/zinc/25/64/20/721256420.db2.gz LSGOLVBOBGOERU-GIVPXCGWSA-N 1 1 497.665 3.758 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1 ZINC001164870335 721268179 /nfs/dbraw/zinc/26/81/79/721268179.db2.gz WCEWBQDONNMEEF-UHFFFAOYSA-N 1 1 485.632 3.818 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)C1 ZINC001164870455 721273125 /nfs/dbraw/zinc/27/31/25/721273125.db2.gz ZAWHMXSCABPZPK-UHFFFAOYSA-N 1 1 494.039 3.957 20 0 JHADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164872866 721277357 /nfs/dbraw/zinc/27/73/57/721277357.db2.gz GYVNEQPUPYHKJY-UHFFFAOYSA-N 1 1 491.611 3.751 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1 ZINC001164873857 721288237 /nfs/dbraw/zinc/28/82/37/721288237.db2.gz CBFVIUFOXLWFPT-UHFFFAOYSA-N 1 1 485.632 3.818 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]4C3)c2c1C ZINC001164881331 721309027 /nfs/dbraw/zinc/30/90/27/721309027.db2.gz VMFQVCDPLMJYJR-WOJBJXKFSA-N 1 1 497.690 3.661 20 0 JHADMO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164880185 721317259 /nfs/dbraw/zinc/31/72/59/721317259.db2.gz WGHYYKJAIGCJIN-DEOSSOPVSA-N 1 1 453.590 3.535 20 0 JHADMO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164880185 721317263 /nfs/dbraw/zinc/31/72/63/721317263.db2.gz WGHYYKJAIGCJIN-DEOSSOPVSA-N 1 1 453.590 3.535 20 0 JHADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164874860 721327466 /nfs/dbraw/zinc/32/74/66/721327466.db2.gz JXWYPJSDCGBWPO-UHFFFAOYSA-N 1 1 467.904 3.768 20 0 JHADMO CSc1nc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2s1 ZINC001164780672 721358964 /nfs/dbraw/zinc/35/89/64/721358964.db2.gz GKLAGAYXMUPCRJ-NRFANRHFSA-N 1 1 460.629 3.532 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C2)C1 ZINC001164784154 721366199 /nfs/dbraw/zinc/36/61/99/721366199.db2.gz QNQMWUWYWUEVJK-HHHXNRCGSA-N 1 1 491.592 3.639 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C2)C1 ZINC001164784154 721366201 /nfs/dbraw/zinc/36/62/01/721366201.db2.gz QNQMWUWYWUEVJK-HHHXNRCGSA-N 1 1 491.592 3.639 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)C1 ZINC001164782924 721366205 /nfs/dbraw/zinc/36/62/05/721366205.db2.gz NJTLIPQCBYYHJX-MHZLTWQESA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)C1 ZINC001164782924 721366208 /nfs/dbraw/zinc/36/62/08/721366208.db2.gz NJTLIPQCBYYHJX-MHZLTWQESA-N 1 1 481.641 3.678 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)n1 ZINC001164882178 721366409 /nfs/dbraw/zinc/36/64/09/721366409.db2.gz HETPRYLQQHBZKX-PMACEKPBSA-N 1 1 483.613 3.910 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164782276 721369625 /nfs/dbraw/zinc/36/96/25/721369625.db2.gz MDTZYCIXKLYUFV-MHZLTWQESA-N 1 1 493.608 3.885 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)c1 ZINC001164782276 721369629 /nfs/dbraw/zinc/36/96/29/721369629.db2.gz MDTZYCIXKLYUFV-MHZLTWQESA-N 1 1 493.608 3.885 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5nc(Cl)cnc5cc4Cl)C3)O2)CC1 ZINC001164885095 721405277 /nfs/dbraw/zinc/40/52/77/721405277.db2.gz FMAIUIQIEYIQJC-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)O2)CC1 ZINC001164883474 721412030 /nfs/dbraw/zinc/41/20/30/721412030.db2.gz ABBVTAMTSLYZLL-KKSFZXQISA-N 1 1 453.965 3.527 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C3)O2)CC1 ZINC001164896163 721427729 /nfs/dbraw/zinc/42/77/29/721427729.db2.gz QTJFBMZOZCXDQM-GGXMVOPNSA-N 1 1 492.664 3.950 20 0 JHADMO CSc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)ncn2)cc1 ZINC001164890722 721427900 /nfs/dbraw/zinc/42/79/00/721427900.db2.gz DOZLWBZKGPRFRC-PXDATVDWSA-N 1 1 469.655 3.756 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894234 721429998 /nfs/dbraw/zinc/42/99/98/721429998.db2.gz KZZSBXARPLUCPB-JXFKEZNVSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897641 721431507 /nfs/dbraw/zinc/43/15/07/721431507.db2.gz UKCFXYACVUUEJQ-CVDCTZTESA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897634 721431819 /nfs/dbraw/zinc/43/18/19/721431819.db2.gz UKCFXYACVUUEJQ-AUSIDOKSSA-N 1 1 493.002 3.502 20 0 JHADMO CCc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O4)n1)CCC3 ZINC001164890756 721433043 /nfs/dbraw/zinc/43/30/43/721433043.db2.gz FEKIXHWDAHHFSZ-AVRWGWEMSA-N 1 1 455.672 3.508 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164897224 721434301 /nfs/dbraw/zinc/43/43/01/721434301.db2.gz SSJGCEKMGWWKEH-YADARESESA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)O2)CC1 ZINC001164894883 721436703 /nfs/dbraw/zinc/43/67/03/721436703.db2.gz MYGWAORSRWUAEX-HTAPYJJXSA-N 1 1 481.975 3.700 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(Cl)c2c1 ZINC001164890290 721438668 /nfs/dbraw/zinc/43/86/68/721438668.db2.gz DDLVNWOORLDCSK-MBSDFSHPSA-N 1 1 496.002 3.602 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888840 721440749 /nfs/dbraw/zinc/44/07/49/721440749.db2.gz BBHRSOYNBRQZAH-CYFREDJKSA-N 1 1 459.997 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897140 721443426 /nfs/dbraw/zinc/44/34/26/721443426.db2.gz SPHIBOJYMHYYQV-VGSWGCGISA-N 1 1 450.414 3.702 20 0 JHADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164887083 721448441 /nfs/dbraw/zinc/44/84/41/721448441.db2.gz IPBJKJORXVURAI-PXDATVDWSA-N 1 1 472.033 3.996 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)O2)CC1 ZINC001164890158 721453508 /nfs/dbraw/zinc/45/35/08/721453508.db2.gz QOSVMAOQSSUYJX-SIKLNZKXSA-N 1 1 454.993 3.923 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164789858 721457895 /nfs/dbraw/zinc/45/78/95/721457895.db2.gz XUTVCNPEIISMBP-QHCPKHFHSA-N 1 1 467.610 3.755 20 0 JHADMO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)[nH]1 ZINC001164789269 721464663 /nfs/dbraw/zinc/46/46/63/721464663.db2.gz WEXJMSONODYFOC-IBGZPJMESA-N 1 1 462.038 3.908 20 0 JHADMO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1OC ZINC001164786499 721465090 /nfs/dbraw/zinc/46/50/90/721465090.db2.gz BNHDYEDKKRXZPR-SFHVURJKSA-N 1 1 451.011 3.516 20 0 JHADMO Clc1ccc(C[NH+]2CCCC2)c(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)n1 ZINC001164889117 721469549 /nfs/dbraw/zinc/46/95/49/721469549.db2.gz HVIBZKDKQAGDFL-LJQANCHMSA-N 1 1 452.990 3.776 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164790633 721473161 /nfs/dbraw/zinc/47/31/61/721473161.db2.gz SXFWGBJPMKTCEW-GOSISDBHSA-N 1 1 452.690 3.654 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)n1 ZINC001164894821 721483671 /nfs/dbraw/zinc/48/36/71/721483671.db2.gz JDYYWZCOYZCGMB-UQBPGWFLSA-N 1 1 471.671 3.519 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c2c1C ZINC001164792450 721487623 /nfs/dbraw/zinc/48/76/23/721487623.db2.gz JFTVXPKAFYAJCE-CJAUYULYSA-N 1 1 483.613 3.970 20 0 JHADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796302 721500991 /nfs/dbraw/zinc/50/09/91/721500991.db2.gz PKJJIHRHPBQATD-HXUWFJFHSA-N 1 1 471.671 3.825 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905837 721527658 /nfs/dbraw/zinc/52/76/58/721527658.db2.gz IXBUGUYMIRZCFV-GDBMZVCRSA-N 1 1 455.864 3.548 20 0 JHADMO 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 721547089 /nfs/dbraw/zinc/54/70/89/721547089.db2.gz GKSPFKHATMTHGZ-OVRYWKHZSA-N 1 1 496.583 3.733 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164903864 721550053 /nfs/dbraw/zinc/55/00/53/721550053.db2.gz DIIOAISLPVEDTC-DOTOQJQBSA-N 1 1 469.891 3.938 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164803992 721560671 /nfs/dbraw/zinc/56/06/71/721560671.db2.gz KMIIVMWJKSDYFW-QKNQBKEWSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164803992 721560672 /nfs/dbraw/zinc/56/06/72/721560672.db2.gz KMIIVMWJKSDYFW-QKNQBKEWSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164803994 721561083 /nfs/dbraw/zinc/56/10/83/721561083.db2.gz KMIIVMWJKSDYFW-SFHLNBCPSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164803994 721561086 /nfs/dbraw/zinc/56/10/86/721561086.db2.gz KMIIVMWJKSDYFW-SFHLNBCPSA-N 1 1 458.006 3.527 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@@H+]3C2)c1 ZINC001164904679 721562619 /nfs/dbraw/zinc/56/26/19/721562619.db2.gz FFALXDRIDZRBKS-DOTOQJQBSA-N 1 1 465.863 3.811 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@H+]3C2)c1 ZINC001164904679 721562622 /nfs/dbraw/zinc/56/26/22/721562622.db2.gz FFALXDRIDZRBKS-DOTOQJQBSA-N 1 1 465.863 3.811 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164806048 721574251 /nfs/dbraw/zinc/57/42/51/721574251.db2.gz PFHLMHDCEOQNDL-WOIUINJBSA-N 1 1 479.585 3.568 20 0 JHADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907654 721716750 /nfs/dbraw/zinc/71/67/50/721716750.db2.gz SHTXQITYMALAID-VRWDYKOXSA-N 1 1 467.520 3.882 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912727 721727012 /nfs/dbraw/zinc/72/70/12/721727012.db2.gz PTNCHLJLJHELEN-HSZRJFAPSA-N 1 1 493.624 3.539 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001165009923 721745869 /nfs/dbraw/zinc/74/58/69/721745869.db2.gz JVSBEKVWCJZINP-UHFFFAOYSA-N 1 1 469.989 3.926 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C(=O)N(c5cccnc5)C[C@@H]4C3)c2c1C ZINC001165026593 721792063 /nfs/dbraw/zinc/79/20/63/721792063.db2.gz ZWCFVNWXLRTAJN-ICSRJNTNSA-N 1 1 462.623 3.788 20 0 JHADMO Cc1cc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001165021604 721816952 /nfs/dbraw/zinc/81/69/52/721816952.db2.gz FBUMQARWTMBGMB-WPYKKVEZSA-N 1 1 478.666 3.968 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030566 721825211 /nfs/dbraw/zinc/82/52/11/721825211.db2.gz ZZNRBEAFJDGINP-NVXDSCFRSA-N 1 1 471.671 3.680 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]21 ZINC001165023910 721827484 /nfs/dbraw/zinc/82/74/84/721827484.db2.gz IOYWAUCPVGZTMD-MSLLRLGPSA-N 1 1 483.664 3.935 20 0 JHADMO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165025065 721830106 /nfs/dbraw/zinc/83/01/06/721830106.db2.gz LINDCNRKWBYDIR-SZMVWBNQSA-N 1 1 450.965 3.873 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(C[C@@H](N(C)c5ncccn5)CO4)C3)c2c1C ZINC001164926828 721836648 /nfs/dbraw/zinc/83/66/48/721836648.db2.gz SOEYEQVQFVSUSJ-FQRUVTKNSA-N 1 1 493.681 3.958 20 0 JHADMO COc1cccc(OC)c1CN1CCC(N(C)c2ccc(OCC3CC[NH2+]CC3)cn2)CC1 ZINC001165031048 721845020 /nfs/dbraw/zinc/84/50/20/721845020.db2.gz PBYVCZIDISLBEQ-UHFFFAOYSA-N 1 1 454.615 3.578 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164924202 721846620 /nfs/dbraw/zinc/84/66/20/721846620.db2.gz XFEGUPJAZZWGLP-RCZVLFRGSA-N 1 1 454.594 3.681 20 0 JHADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925361 721868951 /nfs/dbraw/zinc/86/89/51/721868951.db2.gz OALSNEXIFNRBGV-ROKPMTFOSA-N 1 1 493.458 3.632 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164925361 721868953 /nfs/dbraw/zinc/86/89/53/721868953.db2.gz OALSNEXIFNRBGV-ROKPMTFOSA-N 1 1 493.458 3.632 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)c2c1C ZINC001164935782 721897175 /nfs/dbraw/zinc/89/71/75/721897175.db2.gz XGUNLCQOAHRQBA-NRSPTQNISA-N 1 1 483.682 3.804 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2c1C ZINC001164935664 721908034 /nfs/dbraw/zinc/90/80/34/721908034.db2.gz HDNKWKPJBQNFNS-UHFFFAOYSA-N 1 1 495.697 3.509 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC3)C2)cc1 ZINC001164939594 721931078 /nfs/dbraw/zinc/93/10/78/721931078.db2.gz MRGMKZAVSOQOEZ-UHFFFAOYSA-N 1 1 462.932 3.683 20 0 JHADMO COc1cccc2c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc(Cl)nc12 ZINC001164945465 721968772 /nfs/dbraw/zinc/96/87/72/721968772.db2.gz KZZWGBICDYGBSY-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO COc1cccc2c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc(Cl)nc12 ZINC001164945465 721968773 /nfs/dbraw/zinc/96/87/73/721968773.db2.gz KZZWGBICDYGBSY-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944226 721973725 /nfs/dbraw/zinc/97/37/25/721973725.db2.gz HICOUJPAUOGPDH-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944226 721973727 /nfs/dbraw/zinc/97/37/27/721973727.db2.gz HICOUJPAUOGPDH-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164950848 722001644 /nfs/dbraw/zinc/00/16/44/722001644.db2.gz KLWMYXUGJJLCHK-DEXHYYOUSA-N 1 1 455.628 3.641 20 0 JHADMO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C2)C1 ZINC001164954111 722009987 /nfs/dbraw/zinc/00/99/87/722009987.db2.gz IJGAEVLFYMOIEA-DWXRJYCRSA-N 1 1 498.697 3.565 20 0 JHADMO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C2)C1 ZINC001164954112 722010094 /nfs/dbraw/zinc/01/00/94/722010094.db2.gz IJGAEVLFYMOIEA-HFJWLAOPSA-N 1 1 498.697 3.565 20 0 JHADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)n1 ZINC001164962759 722027416 /nfs/dbraw/zinc/02/74/16/722027416.db2.gz RXGRJKJOWIEQCF-AHKZPQOWSA-N 1 1 466.626 3.850 20 0 JHADMO O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164956100 722033072 /nfs/dbraw/zinc/03/30/72/722033072.db2.gz BWKWFNRHOIAAGD-CUBQBAPOSA-N 1 1 453.590 3.568 20 0 JHADMO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164956101 722033258 /nfs/dbraw/zinc/03/32/58/722033258.db2.gz BWKWFNRHOIAAGD-RBJSKKJNSA-N 1 1 453.590 3.568 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c2c1C ZINC001164955984 722034544 /nfs/dbraw/zinc/03/45/44/722034544.db2.gz ALJMWMYRFKTFNF-RXFWQSSRSA-N 1 1 476.650 3.832 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164961070 722042159 /nfs/dbraw/zinc/04/21/59/722042159.db2.gz LDSSAGFEDGLXID-HBFSDRIKSA-N 1 1 494.665 3.940 20 0 JHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2n1 ZINC001164961170 722054043 /nfs/dbraw/zinc/05/40/43/722054043.db2.gz TYWRPMHXETWIKS-UHFFFAOYSA-N 1 1 494.814 3.894 20 0 JHADMO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2ccccc21 ZINC001164963180 722055706 /nfs/dbraw/zinc/05/57/06/722055706.db2.gz HXHCPJLGAGKGLW-UHFFFAOYSA-N 1 1 460.578 3.926 20 0 JHADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959983 722058894 /nfs/dbraw/zinc/05/88/94/722058894.db2.gz BMORFRXEYDQDTD-UHFFFAOYSA-N 1 1 472.367 3.928 20 0 JHADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963401 722060433 /nfs/dbraw/zinc/06/04/33/722060433.db2.gz YKJOXINVPRDPPI-UHFFFAOYSA-N 1 1 462.932 3.670 20 0 JHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962607 722061400 /nfs/dbraw/zinc/06/14/00/722061400.db2.gz UVZFFPKFTKECNJ-UHFFFAOYSA-N 1 1 490.942 3.844 20 0 JHADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963466 722061599 /nfs/dbraw/zinc/06/15/99/722061599.db2.gz YZALAQOCLXKBSW-UHFFFAOYSA-N 1 1 459.594 3.878 20 0 JHADMO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)s1 ZINC001164962561 722061627 /nfs/dbraw/zinc/06/16/27/722061627.db2.gz UJHPWCGJCKQXSX-UHFFFAOYSA-N 1 1 450.612 3.731 20 0 JHADMO CC(=O)N1[C@@H]2CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969656 722080989 /nfs/dbraw/zinc/08/09/89/722080989.db2.gz MCJZSHRPFCEPDK-BHIFYINESA-N 1 1 493.681 3.616 20 0 JHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164983965 722097512 /nfs/dbraw/zinc/09/75/12/722097512.db2.gz RJVWNHZNFKQSLU-KYPHJKQUSA-N 1 1 468.605 3.581 20 0 JHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164983965 722097513 /nfs/dbraw/zinc/09/75/13/722097513.db2.gz RJVWNHZNFKQSLU-KYPHJKQUSA-N 1 1 468.605 3.581 20 0 JHADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973974 722123407 /nfs/dbraw/zinc/12/34/07/722123407.db2.gz IGSBVGAQEDPANM-DHLKQENFSA-N 1 1 472.568 3.741 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164979042 722127851 /nfs/dbraw/zinc/12/78/51/722127851.db2.gz OUFLCTXXRXEKKE-XLIONFOSSA-N 1 1 470.936 3.579 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164983838 722137003 /nfs/dbraw/zinc/13/70/03/722137003.db2.gz VNWZQXIDDQGTCV-RSXGOPAZSA-N 1 1 472.589 3.966 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983337 722138196 /nfs/dbraw/zinc/13/81/96/722138196.db2.gz UGTQMLJOAMAVCW-VQTJNVASSA-N 1 1 486.954 3.859 20 0 JHADMO c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164976056 722151888 /nfs/dbraw/zinc/15/18/88/722151888.db2.gz GVSHKURHXHPTBY-UGKGYDQZSA-N 1 1 458.591 3.876 20 0 JHADMO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCCCC1 ZINC001164973081 722158873 /nfs/dbraw/zinc/15/88/73/722158873.db2.gz LAPNKMVMJWCPSO-MOPGFXCFSA-N 1 1 477.440 3.896 20 0 JHADMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164988702 722187130 /nfs/dbraw/zinc/18/71/30/722187130.db2.gz FKBJTYAJNWDNLG-QPPBQGQZSA-N 1 1 475.058 3.513 20 0 JHADMO 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CCCOCc1ccccc1CNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311485498 1069399540 /nfs/dbraw/zinc/39/95/40/1069399540.db2.gz DTRXCVOZZUVBAP-AREMUKBSSA-N 1 1 450.627 3.715 20 0 JHADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC001311486660 1069400255 /nfs/dbraw/zinc/40/02/55/1069400255.db2.gz LENACZFIVMXEFB-HXUWFJFHSA-N 1 1 451.011 3.959 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCc2nnc(C)s2)CC1 ZINC001306678634 1069403734 /nfs/dbraw/zinc/40/37/34/1069403734.db2.gz MUIQZOYQPLUNCI-UHFFFAOYSA-N 1 1 454.648 3.691 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001306677865 1069401911 /nfs/dbraw/zinc/40/19/11/1069401911.db2.gz CRCYYVXSEXTHAU-UHFFFAOYSA-N 1 1 475.641 3.696 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001306679198 1069404182 /nfs/dbraw/zinc/40/41/82/1069404182.db2.gz PIPADGSSHOTRDP-JGCGQSQUSA-N 1 1 460.692 3.533 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C(F)(F)C23CCC3)CC1 ZINC001306679280 1069404288 /nfs/dbraw/zinc/40/42/88/1069404288.db2.gz GTUGBRGOUODFNR-IBGZPJMESA-N 1 1 466.621 3.800 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)CC1 ZINC001306679255 1069404366 /nfs/dbraw/zinc/40/43/66/1069404366.db2.gz GIXDPISAVKFCGC-UHFFFAOYSA-N 1 1 482.658 3.687 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 ZINC001306679331 1069405135 /nfs/dbraw/zinc/40/51/35/1069405135.db2.gz RDBHZNQEJZQBGJ-XMMPIXPASA-N 1 1 469.678 3.977 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001306681397 1069410569 /nfs/dbraw/zinc/41/05/69/1069410569.db2.gz LNVYYTBXMLAIBR-KRWDZBQOSA-N 1 1 489.466 3.570 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001306681856 1069412025 /nfs/dbraw/zinc/41/20/25/1069412025.db2.gz VTPCZUPTBOFAMW-KOSHJBKYSA-N 1 1 479.572 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H]1C ZINC001306682171 1069412369 /nfs/dbraw/zinc/41/23/69/1069412369.db2.gz BJKKXZDAVWJPFC-OAHLLOKOSA-N 1 1 454.388 3.804 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001306683518 1069417261 /nfs/dbraw/zinc/41/72/61/1069417261.db2.gz WDAXMHNVWUOGJE-WOJBJXKFSA-N 1 1 489.462 3.687 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001306682802 1069414554 /nfs/dbraw/zinc/41/45/54/1069414554.db2.gz LGHIUCPSKAZTNX-GOSISDBHSA-N 1 1 489.462 3.641 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306683756 1069417973 /nfs/dbraw/zinc/41/79/73/1069417973.db2.gz CJLAFJMNTCBWDN-LJQANCHMSA-N 1 1 459.639 3.509 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001306682915 1069415230 /nfs/dbraw/zinc/41/52/30/1069415230.db2.gz MJCABEXSSAVJAM-INIZCTEOSA-N 1 1 473.975 3.798 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001306683215 1069415861 /nfs/dbraw/zinc/41/58/61/1069415861.db2.gz VOSIHZSHAYYTBZ-QFIPXVFZSA-N 1 1 459.660 3.849 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306682997 1069415876 /nfs/dbraw/zinc/41/58/76/1069415876.db2.gz SRVXYVGJEFABED-FQEVSTJZSA-N 1 1 456.616 3.720 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001306683124 1069415969 /nfs/dbraw/zinc/41/59/69/1069415969.db2.gz PHSPDFLBNBDOLQ-NHCUHLMSSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306684370 1069419241 /nfs/dbraw/zinc/41/92/41/1069419241.db2.gz LOHUOAPMGFCDDB-UHFFFAOYSA-N 1 1 471.650 3.908 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306686183 1069421844 /nfs/dbraw/zinc/42/18/44/1069421844.db2.gz SEYBJYNJONSVTF-DYESRHJHSA-N 1 1 466.001 3.884 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001306688264 1069425264 /nfs/dbraw/zinc/42/52/64/1069425264.db2.gz NAYRSCPINFTDSJ-HSZRJFAPSA-N 1 1 470.568 3.852 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001306689101 1069425874 /nfs/dbraw/zinc/42/58/74/1069425874.db2.gz XYLLCAZBZXTIJR-DNVJHFABSA-N 1 1 487.693 3.723 20 0 JHADMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C[C@H](C)O1 ZINC001311533272 1069426569 /nfs/dbraw/zinc/42/65/69/1069426569.db2.gz JRJINNTUMOWWJF-FVJLSDCUSA-N 1 1 457.537 3.972 20 0 JHADMO CC(C)[C@H](CNC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)N1CC[NH+](C)CC1 ZINC001311535823 1069428478 /nfs/dbraw/zinc/42/84/78/1069428478.db2.gz KFGKQAMTFPRPRA-GOTSBHOMSA-N 1 1 456.610 3.724 20 0 JHADMO CCC(CC)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)N1CCOCC1 ZINC001311536530 1069428926 /nfs/dbraw/zinc/42/89/26/1069428926.db2.gz WWLCEBCNGYCVLT-FCHUYYIVSA-N 1 1 450.693 3.957 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)N1CCOCC1 ZINC001311536531 1069429042 /nfs/dbraw/zinc/42/90/42/1069429042.db2.gz WWLCEBCNGYCVLT-FGZHOGPDSA-N 1 1 450.693 3.957 20 0 JHADMO CC1(C)CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1 ZINC001311537635 1069429880 /nfs/dbraw/zinc/42/98/80/1069429880.db2.gz VEQITGVHNPUHAL-DHIUTWEWSA-N 1 1 450.631 3.650 20 0 JHADMO CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001306701568 1069436705 /nfs/dbraw/zinc/43/67/05/1069436705.db2.gz SIVQEBMUJUTLIG-NQIIRXRSSA-N 1 1 475.037 3.614 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000751095220 1069443135 /nfs/dbraw/zinc/44/31/35/1069443135.db2.gz JUIUCXGHCFEKQQ-GCJKJVERSA-N 1 1 455.521 3.957 20 0 JHADMO CCCCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001306709465 1069443241 /nfs/dbraw/zinc/44/32/41/1069443241.db2.gz RZJBZJCBWNKQCN-UHFFFAOYSA-N 1 1 456.610 3.655 20 0 JHADMO CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001306713513 1069445053 /nfs/dbraw/zinc/44/50/53/1069445053.db2.gz KQIIIBJIRFWSEM-NRFANRHFSA-N 1 1 451.619 3.832 20 0 JHADMO CCCCn1cc(Cn2c(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c(C)n1 ZINC001306721380 1069457369 /nfs/dbraw/zinc/45/73/69/1069457369.db2.gz XZNDCSLWRCSZIY-IBGZPJMESA-N 1 1 457.667 3.618 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001306721558 1069457921 /nfs/dbraw/zinc/45/79/21/1069457921.db2.gz BMVBOZQBWMZDBZ-FPOVZHCZSA-N 1 1 458.630 3.702 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306722168 1069459102 /nfs/dbraw/zinc/45/91/02/1069459102.db2.gz HQUHJAUNOUQKMW-QFIPXVFZSA-N 1 1 456.610 3.909 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722252 1069459772 /nfs/dbraw/zinc/45/97/72/1069459772.db2.gz JKSJIYVBKBRICX-FPOVZHCZSA-N 1 1 477.650 3.781 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC001306722843 1069461773 /nfs/dbraw/zinc/46/17/73/1069461773.db2.gz LRNZVOUXYKSFNN-RTWAWAEBSA-N 1 1 455.651 3.670 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306722511 1069460937 /nfs/dbraw/zinc/46/09/37/1069460937.db2.gz IIKQHDNPTIJZSQ-VXKWHMMOSA-N 1 1 458.651 3.568 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC001306723347 1069463553 /nfs/dbraw/zinc/46/35/53/1069463553.db2.gz RTGFWLFWHNMNFW-LEWJYISDSA-N 1 1 472.682 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001306724544 1069465187 /nfs/dbraw/zinc/46/51/87/1069465187.db2.gz YSHHOOGOFRSLNJ-SFHVURJKSA-N 1 1 468.042 3.961 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001306724519 1069465209 /nfs/dbraw/zinc/46/52/09/1069465209.db2.gz YHPUHAXXHUQVBG-PKTZIBPZSA-N 1 1 452.647 3.801 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724575 1069465758 /nfs/dbraw/zinc/46/57/58/1069465758.db2.gz ZRNUZJSNQUUNJQ-PMACEKPBSA-N 1 1 460.026 3.569 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306724963 1069465843 /nfs/dbraw/zinc/46/58/43/1069465843.db2.gz APIZBGBISRPRLY-OALUTQOASA-N 1 1 474.600 3.503 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306725686 1069467054 /nfs/dbraw/zinc/46/70/54/1069467054.db2.gz GPTYOLUBLARRSO-YPAWHYETSA-N 1 1 476.666 3.542 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306726050 1069467828 /nfs/dbraw/zinc/46/78/28/1069467828.db2.gz JSWZPVUNCJEEGU-OALUTQOASA-N 1 1 471.568 3.784 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC001306726095 1069467835 /nfs/dbraw/zinc/46/78/35/1069467835.db2.gz KCZIJZDCMJTAFE-CIAFKFPVSA-N 1 1 497.775 3.945 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)N1CCCCC1 ZINC001311622848 1069473244 /nfs/dbraw/zinc/47/32/44/1069473244.db2.gz OOXLMTWAWAIRFE-GMAHTHKFSA-N 1 1 458.647 3.507 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001306729611 1069478740 /nfs/dbraw/zinc/47/87/40/1069478740.db2.gz LMCBSOBXJGDCKN-FQEVSTJZSA-N 1 1 497.688 3.772 20 0 JHADMO CCCN(C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001311630853 1069478818 /nfs/dbraw/zinc/47/88/18/1069478818.db2.gz UUMAGQYCDMQFEK-UBFVSLLYSA-N 1 1 456.675 3.820 20 0 JHADMO CC(C)n1ncc2c1[C@H](NC(=O)NCCCCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001311630326 1069478905 /nfs/dbraw/zinc/47/89/05/1069478905.db2.gz OBIYLERQYIEDBE-XMMPIXPASA-N 1 1 452.647 3.739 20 0 JHADMO 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 1069486329 /nfs/dbraw/zinc/48/63/29/1069486329.db2.gz QRYFUFRDHDAMKI-FNAHDJPLSA-N 1 1 476.710 3.670 20 0 JHADMO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001311643517 1069486915 /nfs/dbraw/zinc/48/69/15/1069486915.db2.gz DATYLTYPGKSVCN-JOCHJYFZSA-N 1 1 454.537 3.661 20 0 JHADMO CNC(=O)COc1cccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC001311644445 1069486922 /nfs/dbraw/zinc/48/69/22/1069486922.db2.gz MREGCKCIONCLEV-UHFFFAOYSA-N 1 1 452.599 3.575 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)CCO1 ZINC001311666758 1069495107 /nfs/dbraw/zinc/49/51/07/1069495107.db2.gz QVKHHKPONOTJEZ-HXUWFJFHSA-N 1 1 455.574 3.638 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)CCO1 ZINC001311666758 1069495109 /nfs/dbraw/zinc/49/51/09/1069495109.db2.gz QVKHHKPONOTJEZ-HXUWFJFHSA-N 1 1 455.574 3.638 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001306735727 1069500740 /nfs/dbraw/zinc/50/07/40/1069500740.db2.gz RQEJEIBRSAAPSB-FYYLOGMGSA-N 1 1 488.721 3.643 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001306735727 1069500747 /nfs/dbraw/zinc/50/07/47/1069500747.db2.gz RQEJEIBRSAAPSB-FYYLOGMGSA-N 1 1 488.721 3.643 20 0 JHADMO C[N@@H+](CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)Cc1ccccc1 ZINC001311685793 1069502899 /nfs/dbraw/zinc/50/28/99/1069502899.db2.gz NZUJOKSYAFRCTH-UHFFFAOYSA-N 1 1 459.432 3.845 20 0 JHADMO Cc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001311693735 1069506645 /nfs/dbraw/zinc/50/66/45/1069506645.db2.gz NCKJTXUHWREXOC-LPHOPBHVSA-N 1 1 454.453 3.718 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CC[N@H+]2CCc3ccccc3C2)C1 ZINC001306738601 1069510144 /nfs/dbraw/zinc/51/01/44/1069510144.db2.gz RREDKQXZXOZDJN-HSZRJFAPSA-N 1 1 452.647 3.593 20 0 JHADMO CC(C)(C)c1cc2n(n1)CCN(C(=O)NCCC[NH+]1CCN(c3ccccc3Cl)CC1)C2 ZINC001311710297 1069513673 /nfs/dbraw/zinc/51/36/73/1069513673.db2.gz FZDIAKDVPZQFHY-UHFFFAOYSA-N 1 1 459.038 3.572 20 0 JHADMO CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311716057 1069516753 /nfs/dbraw/zinc/51/67/53/1069516753.db2.gz WKJWZDCVRZZWIT-RTWAWAEBSA-N 1 1 452.628 3.830 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001306744436 1069525461 /nfs/dbraw/zinc/52/54/61/1069525461.db2.gz XLSJAHQNXCXDIO-QFIPXVFZSA-N 1 1 487.718 3.641 20 0 JHADMO O=C(Nc1ccccc1O)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311749228 1069532222 /nfs/dbraw/zinc/53/22/22/1069532222.db2.gz QKPYODXHENKRRD-OAQYLSRUSA-N 1 1 450.583 3.665 20 0 JHADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311805426 1069553337 /nfs/dbraw/zinc/55/33/37/1069553337.db2.gz PSLSACMLWNIBAV-FQEVSTJZSA-N 1 1 453.052 3.549 20 0 JHADMO CCCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306770310 1069569439 /nfs/dbraw/zinc/56/94/39/1069569439.db2.gz NMGJEVGXSJOMCL-SFHVURJKSA-N 1 1 480.451 3.919 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)C1 ZINC001306779495 1069575431 /nfs/dbraw/zinc/57/54/31/1069575431.db2.gz HCMKXRROQGCDGG-INIZCTEOSA-N 1 1 476.423 3.857 20 0 JHADMO C[N@@H+](CCOc1cccc(CNC(=O)NC2(Cc3ccc(F)cc3)CC2)c1)C1CCOCC1 ZINC001311846602 1069576807 /nfs/dbraw/zinc/57/68/07/1069576807.db2.gz AYXYWKDFGWJSFW-UHFFFAOYSA-N 1 1 455.574 3.890 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001306780365 1069577398 /nfs/dbraw/zinc/57/73/98/1069577398.db2.gz BAONXCWLIDAVBT-RTBURBONSA-N 1 1 467.536 3.897 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001306780614 1069577887 /nfs/dbraw/zinc/57/78/87/1069577887.db2.gz AHRNHQZCHKCYLW-PKOBYXMFSA-N 1 1 482.658 3.662 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001306780608 1069577914 /nfs/dbraw/zinc/57/79/14/1069577914.db2.gz AHRNHQZCHKCYLW-HKUYNNGSSA-N 1 1 482.658 3.662 20 0 JHADMO 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O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001312023434 1069676414 /nfs/dbraw/zinc/67/64/14/1069676414.db2.gz FXYKJHCTGQCUTN-HXUWFJFHSA-N 1 1 458.965 3.611 20 0 JHADMO 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 1069680294 /nfs/dbraw/zinc/68/02/94/1069680294.db2.gz UGJDXHUOLKNEES-NLJWQWLVSA-N 1 1 478.637 3.609 20 0 JHADMO CCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170077 1069678625 /nfs/dbraw/zinc/67/86/25/1069678625.db2.gz YCODBQBOBMUKBZ-DLBZAZTESA-N 1 1 485.658 3.734 20 0 JHADMO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2c1 ZINC001306969422 1069691066 /nfs/dbraw/zinc/69/10/66/1069691066.db2.gz SWHGYYSJQDZZSC-INIZCTEOSA-N 1 1 450.486 3.739 20 0 JHADMO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2c1 ZINC001306969422 1069691079 /nfs/dbraw/zinc/69/10/79/1069691079.db2.gz SWHGYYSJQDZZSC-INIZCTEOSA-N 1 1 450.486 3.739 20 0 JHADMO CCCN(C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001312059385 1069698989 /nfs/dbraw/zinc/69/89/89/1069698989.db2.gz PNANFXFQBBBMCZ-DNVJHFABSA-N 1 1 457.663 3.752 20 0 JHADMO C[C@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312064138 1069699748 /nfs/dbraw/zinc/69/97/48/1069699748.db2.gz AYAGUSYSCQQBPE-CYFREDJKSA-N 1 1 453.558 3.720 20 0 JHADMO C[C@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312064138 1069699751 /nfs/dbraw/zinc/69/97/51/1069699751.db2.gz AYAGUSYSCQQBPE-CYFREDJKSA-N 1 1 453.558 3.720 20 0 JHADMO C[C@@H](NC(=O)NCCc1ccccc1OC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312065663 1069701169 /nfs/dbraw/zinc/70/11/69/1069701169.db2.gz HYXZFTBJOLZXHO-UTKZUKDTSA-N 1 1 451.489 3.716 20 0 JHADMO C[C@@H](NC(=O)NCCc1ccccc1OC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312065663 1069701177 /nfs/dbraw/zinc/70/11/77/1069701177.db2.gz HYXZFTBJOLZXHO-UTKZUKDTSA-N 1 1 451.489 3.716 20 0 JHADMO COc1cccc(Oc2ncccc2CNC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001312069187 1069704334 /nfs/dbraw/zinc/70/43/34/1069704334.db2.gz QVYZYVMLTKEXCL-IRFCIJBXSA-N 1 1 454.571 3.666 20 0 JHADMO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CCS2 ZINC001312076363 1069709111 /nfs/dbraw/zinc/70/91/11/1069709111.db2.gz KJASPQDRXONDKT-YHWHNDNFSA-N 1 1 451.658 3.648 20 0 JHADMO CCOc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001314179983 1069721496 /nfs/dbraw/zinc/72/14/96/1069721496.db2.gz ASJKTRFIDMOOGU-FYYLOGMGSA-N 1 1 489.686 3.651 20 0 JHADMO CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001314182160 1069727776 /nfs/dbraw/zinc/72/77/76/1069727776.db2.gz FUAYARLBCAEOFE-NHCUHLMSSA-N 1 1 468.646 3.670 20 0 JHADMO Cc1cc(N2CCC(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)nc(C)[nH+]1 ZINC001312120904 1069731802 /nfs/dbraw/zinc/73/18/02/1069731802.db2.gz ANZMAUVJZWSZQM-ZIAGYGMSSA-N 1 1 453.431 3.835 20 0 JHADMO CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001307018693 1069728566 /nfs/dbraw/zinc/72/85/66/1069728566.db2.gz WJAZSIKMMRVASK-XXBNENTESA-N 1 1 452.647 3.641 20 0 JHADMO CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001314185096 1069737288 /nfs/dbraw/zinc/73/72/88/1069737288.db2.gz DJQRDPDVURHBNI-RBUKOAKNSA-N 1 1 456.635 3.562 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCc3ccc(Cl)cc3C2)C1 ZINC001307030633 1069739085 /nfs/dbraw/zinc/73/90/85/1069739085.db2.gz APRWEMSKMQFODA-RBUKOAKNSA-N 1 1 462.038 3.950 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](COC)C2)C1 ZINC001307031116 1069740547 /nfs/dbraw/zinc/74/05/47/1069740547.db2.gz CTHPQZJAIHRRDU-ZWKOTPCHSA-N 1 1 479.467 3.641 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001307031362 1069741652 /nfs/dbraw/zinc/74/16/52/1069741652.db2.gz DIQMDNKLTRXEKI-NHTMILBNSA-N 1 1 482.673 3.872 20 0 JHADMO CCOc1ccc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](OC)C(C)C)CC2)cc1 ZINC001314187257 1069741724 /nfs/dbraw/zinc/74/17/24/1069741724.db2.gz AZSICQLLHCLHEV-HSZRJFAPSA-N 1 1 452.603 3.665 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)C1 ZINC001307031718 1069742407 /nfs/dbraw/zinc/74/24/07/1069742407.db2.gz NQGGGAPPQRDZRR-QGZVFWFLSA-N 1 1 457.985 3.938 20 0 JHADMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001312139601 1069743525 /nfs/dbraw/zinc/74/35/25/1069743525.db2.gz RXRCLUYYYXDGOQ-QGZVFWFLSA-N 1 1 455.466 3.602 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001307032557 1069745577 /nfs/dbraw/zinc/74/55/77/1069745577.db2.gz DRKJLLUBGUTCMK-RTWAWAEBSA-N 1 1 471.671 3.873 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(C)nnc2N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)C1 ZINC001307033120 1069746795 /nfs/dbraw/zinc/74/67/95/1069746795.db2.gz NGKMOEQMDMUPFP-FGZHOGPDSA-N 1 1 453.635 3.665 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307034921 1069751815 /nfs/dbraw/zinc/75/18/15/1069751815.db2.gz SZRCVHFAZBPOQY-OAQYLSRUSA-N 1 1 482.673 3.769 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001307034902 1069751961 /nfs/dbraw/zinc/75/19/61/1069751961.db2.gz SNMKHTJAWOHGEZ-HOTGVXAUSA-N 1 1 495.491 3.593 20 0 JHADMO CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCSC)CC2)cc1 ZINC001314189792 1069748782 /nfs/dbraw/zinc/74/87/82/1069748782.db2.gz XKKJVEVRYYWNQK-QFIPXVFZSA-N 1 1 459.660 3.994 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001307033905 1069749035 /nfs/dbraw/zinc/74/90/35/1069749035.db2.gz NSJJGEYJWOCKSL-HLIPFELVSA-N 1 1 462.436 3.647 20 0 JHADMO CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)CC1 ZINC001307037463 1069759293 /nfs/dbraw/zinc/75/92/93/1069759293.db2.gz VGQQQGHSBFJDLC-LADGPHEKSA-N 1 1 470.710 3.776 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)C1 ZINC001307039145 1069762769 /nfs/dbraw/zinc/76/27/69/1069762769.db2.gz REVSOTPGYRANKW-DEOSSOPVSA-N 1 1 495.716 3.586 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001307041840 1069769906 /nfs/dbraw/zinc/76/99/06/1069769906.db2.gz VCQSCSMFBUZCHZ-PMACEKPBSA-N 1 1 466.552 3.544 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001307041982 1069770677 /nfs/dbraw/zinc/77/06/77/1069770677.db2.gz OEXKMYIAQDQMIW-FCHUYYIVSA-N 1 1 469.630 3.595 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001307042424 1069772204 /nfs/dbraw/zinc/77/22/04/1069772204.db2.gz QHGYBJSDCNPNCA-HSZRJFAPSA-N 1 1 482.673 3.689 20 0 JHADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCn2ccnn2)cc1 ZINC001314197337 1069777110 /nfs/dbraw/zinc/77/71/10/1069777110.db2.gz FHQAAMKIXPKELR-NRFANRHFSA-N 1 1 496.660 3.809 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(CC)[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778476 /nfs/dbraw/zinc/77/84/76/1069778476.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 1 1 470.662 3.832 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCN(CC)[C@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778480 /nfs/dbraw/zinc/77/84/80/1069778480.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 1 1 470.662 3.832 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 ZINC001307044635 1069778779 /nfs/dbraw/zinc/77/87/79/1069778779.db2.gz HMMORVFVIVVCNZ-NTKDMRAZSA-N 1 1 459.610 3.636 20 0 JHADMO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001307045521 1069782420 /nfs/dbraw/zinc/78/24/20/1069782420.db2.gz MDJBKFWQOHRANE-JOCHJYFZSA-N 1 1 454.663 3.647 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001307047394 1069789088 /nfs/dbraw/zinc/78/90/88/1069789088.db2.gz ZHVGBQURQIHRES-BBTUJRGHSA-N 1 1 497.562 3.754 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(N(C)[C@@H](C)c3cccc(O)c3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001307047480 1069789759 /nfs/dbraw/zinc/78/97/59/1069789759.db2.gz TZRFHMGNMJQJPW-WOVHNISZSA-N 1 1 471.646 3.954 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](c4ccc(OC)c(F)c4)C3)C2)cc(OC)c1 ZINC001312237399 1069799202 /nfs/dbraw/zinc/79/92/02/1069799202.db2.gz NRZDBLQDUGIMES-WOJBJXKFSA-N 1 1 457.546 3.625 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](c4ccc(OC)c(F)c4)C3)C2)cc(OC)c1 ZINC001312237399 1069799210 /nfs/dbraw/zinc/79/92/10/1069799210.db2.gz NRZDBLQDUGIMES-WOJBJXKFSA-N 1 1 457.546 3.625 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001307051512 1069804488 /nfs/dbraw/zinc/80/44/88/1069804488.db2.gz QASLDNXSLMNKON-DHIUTWEWSA-N 1 1 452.647 3.750 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)C2)cc(OC)c1 ZINC001312239462 1069802202 /nfs/dbraw/zinc/80/22/02/1069802202.db2.gz XLAQLYBZDDHRDX-FDDCHVKYSA-N 1 1 459.974 3.715 20 0 JHADMO 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CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001307587787 1070067303 /nfs/dbraw/zinc/06/73/03/1070067303.db2.gz QFMWTEPUVPAFJO-JOCHJYFZSA-N 1 1 459.594 3.895 20 0 JHADMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589423 1070068262 /nfs/dbraw/zinc/06/82/62/1070068262.db2.gz VITGVADQHHFEBE-CABCVRRESA-N 1 1 459.513 3.539 20 0 JHADMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589423 1070068281 /nfs/dbraw/zinc/06/82/81/1070068281.db2.gz VITGVADQHHFEBE-CABCVRRESA-N 1 1 459.513 3.539 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[C@H]1c1ccc(F)cc1 ZINC001312670823 1070072792 /nfs/dbraw/zinc/07/27/92/1070072792.db2.gz MKLQZZFXQPZBCF-LEWJYISDSA-N 1 1 471.577 3.951 20 0 JHADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599762 1070074449 /nfs/dbraw/zinc/07/44/49/1070074449.db2.gz STSWEHNHFZFLJK-FQEVSTJZSA-N 1 1 459.553 3.877 20 0 JHADMO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC001307599762 1070074470 /nfs/dbraw/zinc/07/44/70/1070074470.db2.gz STSWEHNHFZFLJK-FQEVSTJZSA-N 1 1 459.553 3.877 20 0 JHADMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307622427 1070085292 /nfs/dbraw/zinc/08/52/92/1070085292.db2.gz PLNVGGQUTSSNRH-QGZVFWFLSA-N 1 1 453.591 3.981 20 0 JHADMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307622427 1070085308 /nfs/dbraw/zinc/08/53/08/1070085308.db2.gz PLNVGGQUTSSNRH-QGZVFWFLSA-N 1 1 453.591 3.981 20 0 JHADMO COC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1cccc(C(F)(F)F)c1 ZINC001307625293 1070086897 /nfs/dbraw/zinc/08/68/97/1070086897.db2.gz PRGOBVMNKBFQBW-OAHLLOKOSA-N 1 1 456.486 3.958 20 0 JHADMO COC(=O)c1sc(NC(=O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(C(=O)OC)c1C ZINC001307626505 1070087946 /nfs/dbraw/zinc/08/79/46/1070087946.db2.gz KILICEWAZLTPRG-UHFFFAOYSA-N 1 1 452.479 3.515 20 0 JHADMO CCn1c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001307631719 1070090612 /nfs/dbraw/zinc/09/06/12/1070090612.db2.gz RGIJFGRJLPFDBJ-AWEZNQCLSA-N 1 1 452.527 3.759 20 0 JHADMO CCOCc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001314305955 1070092981 /nfs/dbraw/zinc/09/29/81/1070092981.db2.gz JMKSUGBETBEIPH-KRWDZBQOSA-N 1 1 459.392 3.673 20 0 JHADMO CCOCc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001314305648 1070093146 /nfs/dbraw/zinc/09/31/46/1070093146.db2.gz ZJMMGCIGNKXALV-CQSZACIVSA-N 1 1 465.421 3.734 20 0 JHADMO CCOCc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CC[N@@H+]1CCOCC1(C)C ZINC001314306822 1070094133 /nfs/dbraw/zinc/09/41/33/1070094133.db2.gz NEYUXZCBVLISPO-UHFFFAOYSA-N 1 1 455.525 3.581 20 0 JHADMO CCOCc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CC[N@H+]1CCOCC1(C)C ZINC001314306822 1070094143 /nfs/dbraw/zinc/09/41/43/1070094143.db2.gz NEYUXZCBVLISPO-UHFFFAOYSA-N 1 1 455.525 3.581 20 0 JHADMO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cnn1-c1ccc(F)cc1 ZINC001307644294 1070098725 /nfs/dbraw/zinc/09/87/25/1070098725.db2.gz YYTDRSOBYKTODL-CYBMUJFWSA-N 1 1 455.559 3.648 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1CC ZINC001314311603 1070098782 /nfs/dbraw/zinc/09/87/82/1070098782.db2.gz ISKYSLULGVZMBP-MDAIXWLXSA-N 1 1 457.667 3.894 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001312749762 1070102754 /nfs/dbraw/zinc/10/27/54/1070102754.db2.gz YQGSYDDFXFTQHH-KBMIEXCESA-N 1 1 458.002 3.966 20 0 JHADMO COc1cc(CCNC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001312749762 1070102758 /nfs/dbraw/zinc/10/27/58/1070102758.db2.gz YQGSYDDFXFTQHH-KBMIEXCESA-N 1 1 458.002 3.966 20 0 JHADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001312750541 1070103428 /nfs/dbraw/zinc/10/34/28/1070103428.db2.gz XHLOONNNTLBKHH-GVCORALISA-N 1 1 452.574 3.842 20 0 JHADMO CC(C)c1ccc(CC2CC[NH+](CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 ZINC001307655139 1070105510 /nfs/dbraw/zinc/10/55/10/1070105510.db2.gz USOAVSHAETYVDX-UHFFFAOYSA-N 1 1 454.615 3.596 20 0 JHADMO CC(C)CNC(=O)c1ccccc1NC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001307658347 1070107357 /nfs/dbraw/zinc/10/73/57/1070107357.db2.gz MRUHQAHFAPPONW-ACWUQQCTSA-N 1 1 450.627 3.757 20 0 JHADMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@H]1Cc1ccccc1 ZINC001312765406 1070111528 /nfs/dbraw/zinc/11/15/28/1070111528.db2.gz MQTGSDWTEBDSTB-FGZHOGPDSA-N 1 1 456.631 3.877 20 0 JHADMO C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@H]1Cc1ccccc1 ZINC001312765406 1070111530 /nfs/dbraw/zinc/11/15/30/1070111530.db2.gz MQTGSDWTEBDSTB-FGZHOGPDSA-N 1 1 456.631 3.877 20 0 JHADMO 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 1070112752 /nfs/dbraw/zinc/11/27/52/1070112752.db2.gz HNXWCCAJOVRSET-OWCLPIDISA-N 1 1 452.521 3.622 20 0 JHADMO 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 1070112888 /nfs/dbraw/zinc/11/28/88/1070112888.db2.gz HNXWCCAJOVRSET-JYJNAYRXSA-N 1 1 452.521 3.622 20 0 JHADMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001307671818 1070115534 /nfs/dbraw/zinc/11/55/34/1070115534.db2.gz HPIFMVSFQQILHA-NTKDMRAZSA-N 1 1 451.596 3.905 20 0 JHADMO CCOCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](F)c1ccc(Br)cc1 ZINC001314328265 1070116894 /nfs/dbraw/zinc/11/68/94/1070116894.db2.gz RSKXWPRZHSHOIL-SNRMKQJTSA-N 1 1 466.399 3.961 20 0 JHADMO CCOCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCc1ccc(OC)c(Br)c1 ZINC001314329201 1070120099 /nfs/dbraw/zinc/12/00/99/1070120099.db2.gz WJVPWWGIBCBKJO-FUHWJXTLSA-N 1 1 478.435 3.501 20 0 JHADMO COc1ccc(Br)c(C[N@H+](C)C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001307679808 1070121366 /nfs/dbraw/zinc/12/13/66/1070121366.db2.gz YSENHEZNIMERON-IBGZPJMESA-N 1 1 457.409 3.898 20 0 JHADMO COc1ccc(Br)c(C[N@@H+](C)C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001307679808 1070121372 /nfs/dbraw/zinc/12/13/72/1070121372.db2.gz YSENHEZNIMERON-IBGZPJMESA-N 1 1 457.409 3.898 20 0 JHADMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001307680528 1070122103 /nfs/dbraw/zinc/12/21/03/1070122103.db2.gz VGXNAHAOHXWEHU-LJQANCHMSA-N 1 1 459.384 3.977 20 0 JHADMO CCOCc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001314334504 1070128780 /nfs/dbraw/zinc/12/87/80/1070128780.db2.gz QAMSJXFORLTPPJ-WZONZLPQSA-N 1 1 462.038 3.902 20 0 JHADMO 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 1070129189 /nfs/dbraw/zinc/12/91/89/1070129189.db2.gz GMPJPLOGERKZSR-KDOFPFPSSA-N 1 1 459.509 3.998 20 0 JHADMO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)C1=O ZINC001307686191 1070125751 /nfs/dbraw/zinc/12/57/51/1070125751.db2.gz KAHWCADOFJUGCU-IAQYHMDHSA-N 1 1 453.358 3.762 20 0 JHADMO OCC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CCCC1 ZINC001307687459 1070126547 /nfs/dbraw/zinc/12/65/47/1070126547.db2.gz AORIICXACUMMKK-YJBOKZPZSA-N 1 1 450.377 3.940 20 0 JHADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001307694270 1070131107 /nfs/dbraw/zinc/13/11/07/1070131107.db2.gz NIPBLGSYJNYCSL-IIBYNOLFSA-N 1 1 456.530 3.842 20 0 JHADMO 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 1070132469 /nfs/dbraw/zinc/13/24/69/1070132469.db2.gz SPSHQCKGQHNJAO-FKBYEOEOSA-N 1 1 492.709 3.922 20 0 JHADMO CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314337466 1070133362 /nfs/dbraw/zinc/13/33/62/1070133362.db2.gz CTPWALMFTSVDSQ-BGYRXZFFSA-N 1 1 457.667 3.689 20 0 JHADMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001307705073 1070135852 /nfs/dbraw/zinc/13/58/52/1070135852.db2.gz ILLNJPMJKKXEMQ-JTHBVZDNSA-N 1 1 452.378 3.952 20 0 JHADMO Cc1cc(NC(=O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC001307709602 1070138639 /nfs/dbraw/zinc/13/86/39/1070138639.db2.gz FYQRDBAAZOBIIB-UHFFFAOYSA-N 1 1 454.525 3.759 20 0 JHADMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c2ncccc12 ZINC001307712864 1070140529 /nfs/dbraw/zinc/14/05/29/1070140529.db2.gz LDLYDOLRUYOEND-KRWDZBQOSA-N 1 1 453.564 3.754 20 0 JHADMO O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)Nc1cccnc1Cl ZINC001307716245 1070142393 /nfs/dbraw/zinc/14/23/93/1070142393.db2.gz BGSCTPDFMIBGBM-ZDUSSCGKSA-N 1 1 452.658 3.778 20 0 JHADMO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)Nc1cccnc1Cl ZINC001307716242 1070142431 /nfs/dbraw/zinc/14/24/31/1070142431.db2.gz BGSCTPDFMIBGBM-CYBMUJFWSA-N 1 1 452.658 3.778 20 0 JHADMO CCOc1cccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001312824260 1070143806 /nfs/dbraw/zinc/14/38/06/1070143806.db2.gz RXOITFICYWKLBW-QHCPKHFHSA-N 1 1 451.615 3.614 20 0 JHADMO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827110 1070144793 /nfs/dbraw/zinc/14/47/93/1070144793.db2.gz WVDGQGAHLYRFOO-IRLDBZIGSA-N 1 1 457.640 3.795 20 0 JHADMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719918 1070145228 /nfs/dbraw/zinc/14/52/28/1070145228.db2.gz QVBSFTDWGSBXOS-QODFHFCMSA-N 1 1 452.551 3.778 20 0 JHADMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)OC ZINC001307724124 1070148634 /nfs/dbraw/zinc/14/86/34/1070148634.db2.gz FLHNRZZTCLPWST-VUQQOUJSSA-N 1 1 453.402 3.566 20 0 JHADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001312840473 1070149845 /nfs/dbraw/zinc/14/98/45/1070149845.db2.gz UNCRNOBCLNLJJK-LEWJYISDSA-N 1 1 478.490 3.557 20 0 JHADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001307729400 1070154129 /nfs/dbraw/zinc/15/41/29/1070154129.db2.gz TWMSJJFJGKBYBE-UYAOXDASSA-N 1 1 459.587 3.817 20 0 JHADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001307729400 1070154137 /nfs/dbraw/zinc/15/41/37/1070154137.db2.gz TWMSJJFJGKBYBE-UYAOXDASSA-N 1 1 459.587 3.817 20 0 JHADMO CCOc1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)nc2nc(C(F)(F)F)nn21 ZINC001307730926 1070155161 /nfs/dbraw/zinc/15/51/61/1070155161.db2.gz AYNITSTYSTUUCM-UHFFFAOYSA-N 1 1 457.460 3.577 20 0 JHADMO CCOc1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)nc2nc(C(F)(F)F)nn21 ZINC001307730926 1070155168 /nfs/dbraw/zinc/15/51/68/1070155168.db2.gz AYNITSTYSTUUCM-UHFFFAOYSA-N 1 1 457.460 3.577 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731908 1070156158 /nfs/dbraw/zinc/15/61/58/1070156158.db2.gz MVHJKOPSKNVNEI-SJORKVTESA-N 1 1 457.596 3.799 20 0 JHADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001307731908 1070156166 /nfs/dbraw/zinc/15/61/66/1070156166.db2.gz MVHJKOPSKNVNEI-SJORKVTESA-N 1 1 457.596 3.799 20 0 JHADMO 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 1070157587 /nfs/dbraw/zinc/15/75/87/1070157587.db2.gz AICFOMRIGMXYAC-ZCNNSNEGSA-N 1 1 478.682 3.675 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307748282 1070163753 /nfs/dbraw/zinc/16/37/53/1070163753.db2.gz GAIUTKDQNNDZAA-HXUWFJFHSA-N 1 1 458.603 3.911 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001312885137 1070167178 /nfs/dbraw/zinc/16/71/78/1070167178.db2.gz KMXLLYAFEWVBHJ-BAGYTPMASA-N 1 1 465.516 3.575 20 0 JHADMO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC001312907613 1070175306 /nfs/dbraw/zinc/17/53/06/1070175306.db2.gz YBJGLHFGNIDUBX-ZLGUVYLKSA-N 1 1 475.515 3.639 20 0 JHADMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC001312907613 1070175313 /nfs/dbraw/zinc/17/53/13/1070175313.db2.gz YBJGLHFGNIDUBX-ZLGUVYLKSA-N 1 1 475.515 3.639 20 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JHADMO Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C2)cc1 ZINC001313168034 1070277111 /nfs/dbraw/zinc/27/71/11/1070277111.db2.gz LWMXLFIEJTWGDF-BVAGGSTKSA-N 1 1 456.675 3.882 20 0 JHADMO CCOC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001314416736 1070282854 /nfs/dbraw/zinc/28/28/54/1070282854.db2.gz ADRBCGQNVCFUTB-URXFXBBRSA-N 1 1 471.646 3.563 20 0 JHADMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001308016447 1070282368 /nfs/dbraw/zinc/28/23/68/1070282368.db2.gz STXSJDTYNDSITB-DEOSSOPVSA-N 1 1 459.493 3.871 20 0 JHADMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001308016447 1070282380 /nfs/dbraw/zinc/28/23/80/1070282380.db2.gz STXSJDTYNDSITB-DEOSSOPVSA-N 1 1 459.493 3.871 20 0 JHADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCN[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC001308013773 1070280085 /nfs/dbraw/zinc/28/00/85/1070280085.db2.gz PBNISZLUGNZGHL-ZJSXRUAMSA-N 1 1 455.599 3.959 20 0 JHADMO 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CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001313818183 1071268084 /nfs/dbraw/zinc/26/80/84/1071268084.db2.gz SEZLAFYZNVTICK-UXPWSPDFSA-N 1 1 483.535 3.677 20 0 JHADMO C[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(Cl)=C(Cl)C1)C1CCCCC1 ZINC001314866299 1071270160 /nfs/dbraw/zinc/27/01/60/1071270160.db2.gz FUOJSLUGMDFMOE-UHFFFAOYSA-N 1 1 455.434 3.564 20 0 JHADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCC(C)(c2nc(C)no2)CC1)CCC(F)(F)F ZINC001313819048 1071271605 /nfs/dbraw/zinc/27/16/05/1071271605.db2.gz GOEOASIACUHNFE-UHFFFAOYSA-N 1 1 469.556 3.754 20 0 JHADMO CN(CCn1cccn1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001314867543 1071274434 /nfs/dbraw/zinc/27/44/34/1071274434.db2.gz OTZKJAXTQBQYHH-DHIUTWEWSA-N 1 1 483.636 3.801 20 0 JHADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)CCC(F)(F)F ZINC001313819157 1071271951 /nfs/dbraw/zinc/27/19/51/1071271951.db2.gz YKGIYVFWFJGVOU-MBSDFSHPSA-N 1 1 499.553 3.667 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1)C(C)C ZINC001313819620 1071274493 /nfs/dbraw/zinc/27/44/93/1071274493.db2.gz CVUXSZGPZJORML-OAQYLSRUSA-N 1 1 470.643 3.930 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001313819523 1071273552 /nfs/dbraw/zinc/27/35/52/1071273552.db2.gz BOCWHGOLGLNSMI-UHFFFAOYSA-N 1 1 468.568 3.580 20 0 JHADMO CC[N@@H+](CCn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001313819680 1071274811 /nfs/dbraw/zinc/27/48/11/1071274811.db2.gz FTQYAFZCRDCHRH-SFHVURJKSA-N 1 1 488.608 3.584 20 0 JHADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001313819846 1071275483 /nfs/dbraw/zinc/27/54/83/1071275483.db2.gz HDCKWZCIGAUUKP-HXUWFJFHSA-N 1 1 469.552 3.972 20 0 JHADMO Cc1cc(N2CCC(NC(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC001310293192 1071276222 /nfs/dbraw/zinc/27/62/22/1071276222.db2.gz CWAKPKJZQXCCRU-UHFFFAOYSA-N 1 1 459.616 3.597 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001313900995 1071510326 /nfs/dbraw/zinc/51/03/26/1071510326.db2.gz UEAHRRIUGAINMD-IFMALSPDSA-N 1 1 458.695 3.826 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC001313901026 1071510902 /nfs/dbraw/zinc/51/09/02/1071510902.db2.gz UQLODDILNPPJSD-QHCPKHFHSA-N 1 1 484.664 3.941 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314994399 1071511462 /nfs/dbraw/zinc/51/14/62/1071511462.db2.gz NEIGONAOCCYCQX-FCHUYYIVSA-N 1 1 482.673 3.638 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001313901604 1071511931 /nfs/dbraw/zinc/51/19/31/1071511931.db2.gz YJZPXZRAFVWIAE-QZTJIDSGSA-N 1 1 470.609 3.968 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001313901843 1071512356 /nfs/dbraw/zinc/51/23/56/1071512356.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 1 1 461.054 3.630 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313905135 1071520614 /nfs/dbraw/zinc/52/06/14/1071520614.db2.gz NKGPTRLVDIGZQL-NLWGTHIKSA-N 1 1 488.658 3.706 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001314997075 1071515686 /nfs/dbraw/zinc/51/56/86/1071515686.db2.gz OIRYKGOXYDBMHX-HXUWFJFHSA-N 1 1 486.636 3.613 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904827 1071520051 /nfs/dbraw/zinc/52/00/51/1071520051.db2.gz UZKDZUWRUAAWRW-HSALFYBXSA-N 1 1 469.634 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001313903876 1071516714 /nfs/dbraw/zinc/51/67/14/1071516714.db2.gz FITOXBFHMFWTIY-QHCPKHFHSA-N 1 1 470.637 3.696 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 ZINC001313904202 1071517718 /nfs/dbraw/zinc/51/77/18/1071517718.db2.gz QFKMTGBABBATGZ-TZIWHRDSSA-N 1 1 462.038 3.961 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001313904684 1071519176 /nfs/dbraw/zinc/51/91/76/1071519176.db2.gz RYKQVMUSSQLJRG-PMACEKPBSA-N 1 1 451.537 3.705 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313906548 1071524122 /nfs/dbraw/zinc/52/41/22/1071524122.db2.gz XQAGCGMOWCKXNY-YPAWHYETSA-N 1 1 468.646 3.611 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906595 1071524137 /nfs/dbraw/zinc/52/41/37/1071524137.db2.gz ZWNZVJCNTUJANM-FCHUYYIVSA-N 1 1 498.672 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906662 1071524826 /nfs/dbraw/zinc/52/48/26/1071524826.db2.gz YJAHMACWMRDLEJ-LJQANCHMSA-N 1 1 491.478 3.933 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001313905112 1071520750 /nfs/dbraw/zinc/52/07/50/1071520750.db2.gz NGCAVNLWSGMJHO-NRFANRHFSA-N 1 1 489.462 3.687 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905537 1071521420 /nfs/dbraw/zinc/52/14/20/1071521420.db2.gz MLRJFPQLUJAGIZ-OAHLLOKOSA-N 1 1 464.401 3.699 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001313905939 1071522824 /nfs/dbraw/zinc/52/28/24/1071522824.db2.gz WETKABXWTAVOQB-FPOVZHCZSA-N 1 1 469.630 3.638 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001313906226 1071523300 /nfs/dbraw/zinc/52/33/00/1071523300.db2.gz VIIHABGSXASUGV-PCCBWWKXSA-N 1 1 498.697 3.934 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313907245 1071527650 /nfs/dbraw/zinc/52/76/50/1071527650.db2.gz ZYEJFXLBGNALFA-QIJUGHKUSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313907576 1071528232 /nfs/dbraw/zinc/52/82/32/1071528232.db2.gz IIGXHTBQIYPSTO-KNQAVFIVSA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 ZINC001313908623 1071530336 /nfs/dbraw/zinc/53/03/36/1071530336.db2.gz AAQDUDNJPUUTNU-FQEVSTJZSA-N 1 1 478.707 3.820 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001313909762 1071533261 /nfs/dbraw/zinc/53/32/61/1071533261.db2.gz CSHHDJYHAIZAQT-XQBPLPMBSA-N 1 1 473.584 3.924 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCOc1ccccc1C ZINC001313910405 1071535337 /nfs/dbraw/zinc/53/53/37/1071535337.db2.gz XIRFQVSGULESLF-HSZRJFAPSA-N 1 1 465.646 3.838 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(CC)C1 ZINC001313911543 1071537545 /nfs/dbraw/zinc/53/75/45/1071537545.db2.gz CVJJHUHSYSTKHA-CJFMBICVSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCOC)CC(C)C ZINC001313911656 1071537678 /nfs/dbraw/zinc/53/76/78/1071537678.db2.gz QHXYPFVKTDNYET-LJQANCHMSA-N 1 1 467.618 3.577 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911170 1071537697 /nfs/dbraw/zinc/53/76/97/1071537697.db2.gz IJVMZMRTBKYZDN-QFIPXVFZSA-N 1 1 473.065 3.879 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313912397 1071539999 /nfs/dbraw/zinc/53/99/99/1071539999.db2.gz IOQVAGVAUQGFTL-QGUKFAFCSA-N 1 1 477.694 3.835 20 0 JHADMO 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 1071540133 /nfs/dbraw/zinc/54/01/33/1071540133.db2.gz HPKWHOJSMQZIKV-WJFTUGDTSA-N 1 1 473.584 3.839 20 0 JHADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313914008 1071546349 /nfs/dbraw/zinc/54/63/49/1071546349.db2.gz ORNVFUFMEWMTGJ-UGKGYDQZSA-N 1 1 486.636 3.736 20 0 JHADMO 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 1071547593 /nfs/dbraw/zinc/54/75/93/1071547593.db2.gz NERDKMOWIMZOAA-HSALFYBXSA-N 1 1 460.667 3.753 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913605 1071543870 /nfs/dbraw/zinc/54/38/70/1071543870.db2.gz QCMYVGSBOBNUKC-RBBKRZOGSA-N 1 1 477.650 3.609 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCC[N@H+]2CC)CC1=O ZINC001313914538 1071547966 /nfs/dbraw/zinc/54/79/66/1071547966.db2.gz ZVWWVURSABVFQA-JOCHJYFZSA-N 1 1 498.672 3.674 20 0 JHADMO CCN1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](CC)C2CC2)CC1=O ZINC001313913737 1071544390 /nfs/dbraw/zinc/54/43/90/1071544390.db2.gz MDQWANJQCORHDO-NRFANRHFSA-N 1 1 468.646 3.578 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914762 1071548619 /nfs/dbraw/zinc/54/86/19/1071548619.db2.gz NPJCIUDDYJAJFN-ZFGGDYGUSA-N 1 1 465.708 3.771 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313914914 1071549266 /nfs/dbraw/zinc/54/92/66/1071549266.db2.gz OXRURTUQAHXLOH-NJDAHSKKSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 ZINC001313915467 1071550435 /nfs/dbraw/zinc/55/04/35/1071550435.db2.gz SIJFOPSXRMBIOS-KRWDZBQOSA-N 1 1 454.402 3.875 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001315026281 1071551437 /nfs/dbraw/zinc/55/14/37/1071551437.db2.gz XCFDDTWOAULYKY-IRLDBZIGSA-N 1 1 454.663 3.839 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccccc2Cl)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315026539 1071551864 /nfs/dbraw/zinc/55/18/64/1071551864.db2.gz GTMDJXSCUUUKDH-KDURUIRLSA-N 1 1 461.054 3.929 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313916097 1071552057 /nfs/dbraw/zinc/55/20/57/1071552057.db2.gz VJAARFBOZQWTLF-NRFANRHFSA-N 1 1 489.064 3.867 20 0 JHADMO 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 1071552539 /nfs/dbraw/zinc/55/25/39/1071552539.db2.gz WJVFVBQUDVIIFI-YUMYIRISSA-N 1 1 490.693 3.786 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001315030122 1071558890 /nfs/dbraw/zinc/55/88/90/1071558890.db2.gz QIAAVKFQYBZPHY-QFIPXVFZSA-N 1 1 470.637 3.768 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315030972 1071559922 /nfs/dbraw/zinc/55/99/22/1071559922.db2.gz YIHOEMIMEOYTCA-SFHVURJKSA-N 1 1 476.616 3.620 20 0 JHADMO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001313921553 1071562060 /nfs/dbraw/zinc/56/20/60/1071562060.db2.gz OXCZKNXDQUVQNU-HSZRJFAPSA-N 1 1 482.673 3.736 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921862 1071562357 /nfs/dbraw/zinc/56/23/57/1071562357.db2.gz TWYKYMCHMFJLRE-KNQAVFIVSA-N 1 1 461.054 3.659 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@H](C)c3c(C)noc3C)CC2)CC1 ZINC001313922503 1071565151 /nfs/dbraw/zinc/56/51/51/1071565151.db2.gz FUVPXCFBAVNADQ-LJQANCHMSA-N 1 1 485.677 3.581 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC[C@](C)(CC)O3)CC2)CC1 ZINC001313923774 1071568114 /nfs/dbraw/zinc/56/81/14/1071568114.db2.gz SROCMNPYYDADCC-HOFKKMOUSA-N 1 1 488.721 3.595 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923953 1071568913 /nfs/dbraw/zinc/56/89/13/1071568913.db2.gz BFGNRCOLANGHNW-LJQANCHMSA-N 1 1 493.071 3.753 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924780 1071571416 /nfs/dbraw/zinc/57/14/16/1071571416.db2.gz IKGRTFXOBWBCFM-IBGZPJMESA-N 1 1 498.473 3.765 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313924845 1071572014 /nfs/dbraw/zinc/57/20/14/1071572014.db2.gz JUVUIKUHDVOADN-LJQANCHMSA-N 1 1 468.671 3.986 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925728 1071574022 /nfs/dbraw/zinc/57/40/22/1071574022.db2.gz BMIJPVNWESIISA-LADGPHEKSA-N 1 1 498.716 3.687 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926355 1071576198 /nfs/dbraw/zinc/57/61/98/1071576198.db2.gz FKBHHMYZASEDRP-INIZCTEOSA-N 1 1 481.508 3.717 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927766 1071581237 /nfs/dbraw/zinc/58/12/37/1071581237.db2.gz LZRHWJMGODQCHD-FPOVZHCZSA-N 1 1 486.627 3.585 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928057 1071582463 /nfs/dbraw/zinc/58/24/63/1071582463.db2.gz NFIIVDRNXAYESI-RBBKRZOGSA-N 1 1 456.654 3.906 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928042 1071582639 /nfs/dbraw/zinc/58/26/39/1071582639.db2.gz NCDYPFZUKPLGOB-FGZHOGPDSA-N 1 1 482.652 3.502 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sccc2C)C[C@H]1C ZINC001313929630 1071587572 /nfs/dbraw/zinc/58/75/72/1071587572.db2.gz HWJCMUAOYSFFMC-QGZVFWFLSA-N 1 1 473.046 3.810 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313930894 1071590362 /nfs/dbraw/zinc/59/03/62/1071590362.db2.gz DCTMCYVSAYWESO-WZONZLPQSA-N 1 1 481.563 3.916 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001313932654 1071595429 /nfs/dbraw/zinc/59/54/29/1071595429.db2.gz IOGLMEFRSWBYQS-XCGNWRKASA-N 1 1 480.426 3.928 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCS2)C[C@H]1C ZINC001313933612 1071598425 /nfs/dbraw/zinc/59/84/25/1071598425.db2.gz LTCOVEDPAHSZIR-FOIQADDNSA-N 1 1 467.481 3.862 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313933905 1071599887 /nfs/dbraw/zinc/59/98/87/1071599887.db2.gz ONEQYEROPGVOTN-JTQLQIEISA-N 1 1 482.171 3.554 20 0 JHADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313933929 1071600626 /nfs/dbraw/zinc/60/06/26/1071600626.db2.gz PAGQKICCIBSDSR-IWHLBADBSA-N 1 1 498.716 3.979 20 0 JHADMO 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 1071600992 /nfs/dbraw/zinc/60/09/92/1071600992.db2.gz QIQGCXRNLYHGEB-MOPGFXCFSA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C2CC2)C[C@H]1C ZINC001313934325 1071601598 /nfs/dbraw/zinc/60/15/98/1071601598.db2.gz RHZWCKYXUDKYOI-AUUYWEPGSA-N 1 1 466.399 3.802 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604687 /nfs/dbraw/zinc/60/46/87/1071604687.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 1 1 493.494 3.977 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604696 /nfs/dbraw/zinc/60/46/96/1071604696.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 1 1 493.494 3.977 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313936832 1071609660 /nfs/dbraw/zinc/60/96/60/1071609660.db2.gz IJQTZQOMSGROHU-UGKGYDQZSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001313935455 1071605885 /nfs/dbraw/zinc/60/58/85/1071605885.db2.gz WVJAKZLYVZJQOJ-GOSISDBHSA-N 1 1 490.599 3.726 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@H]1C ZINC001313937033 1071609709 /nfs/dbraw/zinc/60/97/09/1071609709.db2.gz JZOUYGQMQWJWFO-RTBURBONSA-N 1 1 464.655 3.553 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313935460 1071606118 /nfs/dbraw/zinc/60/61/18/1071606118.db2.gz WYYMLHSSAZQIKA-KSFYIVLOSA-N 1 1 479.467 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313935592 1071606636 /nfs/dbraw/zinc/60/66/36/1071606636.db2.gz ITNLIDJZPOYGRN-QGZVFWFLSA-N 1 1 455.404 3.990 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2Br)C[C@H]1C ZINC001313935785 1071606673 /nfs/dbraw/zinc/60/66/73/1071606673.db2.gz YQYPZHHJQYOWQL-IERDGZPVSA-N 1 1 498.491 3.721 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313935598 1071606687 /nfs/dbraw/zinc/60/66/87/1071606687.db2.gz IVSNVDLIRNUZCK-MRXNPFEDSA-N 1 1 471.403 3.690 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@@H]1C ZINC001313935875 1071607233 /nfs/dbraw/zinc/60/72/33/1071607233.db2.gz JYQOWSIQFKPVCX-YDHSSHFGSA-N 1 1 457.619 3.554 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001313936536 1071608506 /nfs/dbraw/zinc/60/85/06/1071608506.db2.gz PTMVWJXQMMBBJO-HNNXBMFYSA-N 1 1 456.616 3.614 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001313936601 1071609066 /nfs/dbraw/zinc/60/90/66/1071609066.db2.gz GKRBIXMMRFBUOF-IRLDBZIGSA-N 1 1 483.661 3.675 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313936693 1071609085 /nfs/dbraw/zinc/60/90/85/1071609085.db2.gz ADOIYCQOTFXXAP-LJQANCHMSA-N 1 1 471.650 3.954 20 0 JHADMO CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC001313938214 1071611355 /nfs/dbraw/zinc/61/13/55/1071611355.db2.gz RUPZOERBQDEKCH-JOCHJYFZSA-N 1 1 468.690 3.920 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001313937862 1071611528 /nfs/dbraw/zinc/61/15/28/1071611528.db2.gz WNJSAELSMBFQQL-KRWDZBQOSA-N 1 1 487.004 3.620 20 0 JHADMO CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC001313938215 1071611543 /nfs/dbraw/zinc/61/15/43/1071611543.db2.gz RUPZOERBQDEKCH-QFIPXVFZSA-N 1 1 468.690 3.920 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313938314 1071612077 /nfs/dbraw/zinc/61/20/77/1071612077.db2.gz ZCGHLGHCWSXQQO-INIZCTEOSA-N 1 1 475.519 3.536 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313939424 1071613322 /nfs/dbraw/zinc/61/33/22/1071613322.db2.gz DKQJFIQXEGBWGD-KXBFYZLASA-N 1 1 450.509 3.924 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313940350 1071614955 /nfs/dbraw/zinc/61/49/55/1071614955.db2.gz WDLMGMYURSCRHG-RBUKOAKNSA-N 1 1 450.553 3.668 20 0 JHADMO CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941473 1071617552 /nfs/dbraw/zinc/61/75/52/1071617552.db2.gz UYMNSUXKJISSAI-GOTSBHOMSA-N 1 1 468.690 3.867 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313941836 1071618139 /nfs/dbraw/zinc/61/81/39/1071618139.db2.gz YBYQVWZJUPGFHG-MOPGFXCFSA-N 1 1 476.691 3.964 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313942026 1071619035 /nfs/dbraw/zinc/61/90/35/1071619035.db2.gz GYQCPDDAFZWONT-QFQXNSOFSA-N 1 1 455.647 3.946 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313942046 1071619110 /nfs/dbraw/zinc/61/91/10/1071619110.db2.gz HENNUWSUJHMQNC-JOCHJYFZSA-N 1 1 482.673 3.795 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941962 1071619131 /nfs/dbraw/zinc/61/91/31/1071619131.db2.gz FRWJCEXUQUAEFV-SGNDLWITSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941962 1071619134 /nfs/dbraw/zinc/61/91/34/1071619134.db2.gz FRWJCEXUQUAEFV-SGNDLWITSA-N 1 1 484.689 3.504 20 0 JHADMO 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 1071621914 /nfs/dbraw/zinc/62/19/14/1071621914.db2.gz QEELYUBOIAHMCI-SLFFLAALSA-N 1 1 480.723 3.968 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942576 1071620718 /nfs/dbraw/zinc/62/07/18/1071620718.db2.gz KDPGHUBCFULOOW-QUCCMNQESA-N 1 1 469.552 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313943111 1071621970 /nfs/dbraw/zinc/62/19/70/1071621970.db2.gz PVQBRGBBUNCCSW-HXUWFJFHSA-N 1 1 472.634 3.563 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945688 1071626846 /nfs/dbraw/zinc/62/68/46/1071626846.db2.gz TWHHXBRJSOMZJR-GMAHTHKFSA-N 1 1 454.663 3.531 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001313943500 1071623104 /nfs/dbraw/zinc/62/31/04/1071623104.db2.gz SEWQRCVJRPIKGL-YADARESESA-N 1 1 455.628 3.665 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946203 1071627858 /nfs/dbraw/zinc/62/78/58/1071627858.db2.gz ACEJDBBUCCKZEF-QFIPXVFZSA-N 1 1 472.653 3.691 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001313945952 1071627886 /nfs/dbraw/zinc/62/78/86/1071627886.db2.gz MAYZDCGBMCRDBK-OAHLLOKOSA-N 1 1 460.598 3.994 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313945048 1071625621 /nfs/dbraw/zinc/62/56/21/1071625621.db2.gz GEXNYVOIBKBRDS-GHTZIAJQSA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313945048 1071625624 /nfs/dbraw/zinc/62/56/24/1071625624.db2.gz GEXNYVOIBKBRDS-GHTZIAJQSA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313946691 1071629070 /nfs/dbraw/zinc/62/90/70/1071629070.db2.gz TYKAAXFHKLEUKT-WOJBJXKFSA-N 1 1 486.661 3.663 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313946571 1071629095 /nfs/dbraw/zinc/62/90/95/1071629095.db2.gz BLFUUDQTJPNXOW-VWNXMTODSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(F)c2)C[C@H]1C ZINC001313946562 1071629178 /nfs/dbraw/zinc/62/91/78/1071629178.db2.gz BGRGYZHVUBMKTK-STZQEDGTSA-N 1 1 459.610 3.945 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946872 1071630486 /nfs/dbraw/zinc/63/04/86/1071630486.db2.gz DQHAPBLQHZYMNZ-BDTNDASRSA-N 1 1 489.709 3.612 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947447 1071631531 /nfs/dbraw/zinc/63/15/31/1071631531.db2.gz HHLJVECSHAMBPP-OFVILXPXSA-N 1 1 484.689 3.907 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947885 1071633056 /nfs/dbraw/zinc/63/30/56/1071633056.db2.gz DDYFLNXZXLHFLE-GOSISDBHSA-N 1 1 470.609 3.735 20 0 JHADMO 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 1071636339 /nfs/dbraw/zinc/63/63/39/1071636339.db2.gz QCFFYULMLZTZDZ-DVWYVKNESA-N 1 1 473.662 3.845 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949493 1071636508 /nfs/dbraw/zinc/63/65/08/1071636508.db2.gz JANXFUBAPMLFBH-IBGZPJMESA-N 1 1 460.070 3.594 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313950425 1071638155 /nfs/dbraw/zinc/63/81/55/1071638155.db2.gz PGWOFQXUAWMFNX-CMOCDZPBSA-N 1 1 472.653 3.923 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950492 1071638715 /nfs/dbraw/zinc/63/87/15/1071638715.db2.gz PXHZIOFSCDUGLV-FPOVZHCZSA-N 1 1 459.708 3.824 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950608 1071638902 /nfs/dbraw/zinc/63/89/02/1071638902.db2.gz AKXSSYOPGKWDAX-KDURUIRLSA-N 1 1 492.510 3.556 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313951410 1071641738 /nfs/dbraw/zinc/64/17/38/1071641738.db2.gz TUZBCJFLQQBFCW-LJQANCHMSA-N 1 1 458.651 3.514 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313951470 1071642474 /nfs/dbraw/zinc/64/24/74/1071642474.db2.gz IQIMKSSQTZLOBI-NRFANRHFSA-N 1 1 481.689 3.801 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313952497 1071645810 /nfs/dbraw/zinc/64/58/10/1071645810.db2.gz FMJONOFKSVFCHB-IBGZPJMESA-N 1 1 458.626 3.603 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313953163 1071647633 /nfs/dbraw/zinc/64/76/33/1071647633.db2.gz BVRFSGPJMLMYFJ-QHCPKHFHSA-N 1 1 475.081 3.555 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953720 1071649421 /nfs/dbraw/zinc/64/94/21/1071649421.db2.gz IOJITHWMUNJDJD-IFXFPORBSA-N 1 1 488.746 3.928 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313953931 1071650102 /nfs/dbraw/zinc/65/01/02/1071650102.db2.gz LOHYJRFGVZHMFE-PSWAGMNNSA-N 1 1 468.690 3.984 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954703 1071652382 /nfs/dbraw/zinc/65/23/82/1071652382.db2.gz CAORXEDJVSZDSA-WXVAWEFUSA-N 1 1 468.690 3.778 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954824 1071652899 /nfs/dbraw/zinc/65/28/99/1071652899.db2.gz QCULZOITKOAOTC-HFZDXXHNSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313955317 1071654964 /nfs/dbraw/zinc/65/49/64/1071654964.db2.gz RLJLOHDWYHVJJJ-NRFANRHFSA-N 1 1 477.657 3.567 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955277 1071654994 /nfs/dbraw/zinc/65/49/94/1071654994.db2.gz QXGZVVADKOPXMI-QKNQBKEWSA-N 1 1 476.616 3.531 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001313956005 1071657525 /nfs/dbraw/zinc/65/75/25/1071657525.db2.gz XAGUZFKSJMOCRK-RTWAWAEBSA-N 1 1 475.081 3.735 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313956086 1071657584 /nfs/dbraw/zinc/65/75/84/1071657584.db2.gz KGAWKBASUNHLJX-NFBKMPQASA-N 1 1 486.730 3.689 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313958176 1071663020 /nfs/dbraw/zinc/66/30/20/1071663020.db2.gz VBOMLLPFSHRLLH-VXNXHJTFSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 ZINC001313958018 1071662518 /nfs/dbraw/zinc/66/25/18/1071662518.db2.gz NDOAQGGNEXZADB-OAQYLSRUSA-N 1 1 484.689 3.862 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313957014 1071658832 /nfs/dbraw/zinc/65/88/32/1071658832.db2.gz AWURYRYILQVQHH-INIZCTEOSA-N 1 1 499.548 3.738 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001313957353 1071660077 /nfs/dbraw/zinc/66/00/77/1071660077.db2.gz TZRWSYNXJJTCGT-QFIPXVFZSA-N 1 1 468.690 3.897 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313957937 1071661812 /nfs/dbraw/zinc/66/18/12/1071661812.db2.gz SKKQYDTUBHQTDX-UFYCRDLUSA-N 1 1 460.617 3.513 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958318 1071663480 /nfs/dbraw/zinc/66/34/80/1071663480.db2.gz VVBXJSGAFSRDLV-IBGZPJMESA-N 1 1 485.677 3.683 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCCC2)CC1 ZINC001313960035 1071668773 /nfs/dbraw/zinc/66/87/73/1071668773.db2.gz FBKYPWONRVBHEB-UHFFFAOYSA-N 1 1 478.483 3.690 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313959750 1071667506 /nfs/dbraw/zinc/66/75/06/1071667506.db2.gz CECRENXYFHSGIF-DEOSSOPVSA-N 1 1 484.689 3.765 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961577 1071673450 /nfs/dbraw/zinc/67/34/50/1071673450.db2.gz VMTUJSLFLJJFDL-UHFFFAOYSA-N 1 1 473.463 3.892 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001313967416 1071689372 /nfs/dbraw/zinc/68/93/72/1071689372.db2.gz HFEVUYZCSXIRNE-UHFFFAOYSA-N 1 1 456.610 3.701 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001313970348 1071694626 /nfs/dbraw/zinc/69/46/26/1071694626.db2.gz CUHXRPYARSEIRH-UHFFFAOYSA-N 1 1 470.637 3.949 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CCC1 ZINC001313975340 1071705434 /nfs/dbraw/zinc/70/54/34/1071705434.db2.gz PIMVGFXIMPFKGC-ROUUACIJSA-N 1 1 459.038 3.824 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001313984932 1071722744 /nfs/dbraw/zinc/72/27/44/1071722744.db2.gz INVSNOLCCXGDNI-RTBURBONSA-N 1 1 466.655 3.647 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001313984931 1071722800 /nfs/dbraw/zinc/72/28/00/1071722800.db2.gz INVSNOLCCXGDNI-RBUKOAKNSA-N 1 1 466.655 3.647 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001313996174 1071732488 /nfs/dbraw/zinc/73/24/88/1071732488.db2.gz SFCRUMIZWSREQV-RBUKOAKNSA-N 1 1 492.068 3.653 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001313995006 1071730813 /nfs/dbraw/zinc/73/08/13/1071730813.db2.gz LBXHWLRJUKTQCI-OFNKIYASSA-N 1 1 467.662 3.554 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001314008453 1071744732 /nfs/dbraw/zinc/74/47/32/1071744732.db2.gz MQQZSNKMYLOKTL-FQEVSTJZSA-N 1 1 468.646 3.905 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001314009406 1071745735 /nfs/dbraw/zinc/74/57/35/1071745735.db2.gz SXTGFXYOTMPEAB-UHFFFAOYSA-N 1 1 456.635 3.765 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001314012569 1071748277 /nfs/dbraw/zinc/74/82/77/1071748277.db2.gz KPQJCNAKFDTJJL-FGZHOGPDSA-N 1 1 490.693 3.884 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314012570 1071748288 /nfs/dbraw/zinc/74/82/88/1071748288.db2.gz KPQJCNAKFDTJJL-VXKWHMMOSA-N 1 1 490.693 3.884 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC001314021172 1071773168 /nfs/dbraw/zinc/77/31/68/1071773168.db2.gz CXOWLBJDNOBDMK-QHCPKHFHSA-N 1 1 482.673 3.982 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001314020609 1071772262 /nfs/dbraw/zinc/77/22/62/1071772262.db2.gz VQLRQWUFRLKZLT-UHFFFAOYSA-N 1 1 465.602 3.771 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001314026186 1071787969 /nfs/dbraw/zinc/78/79/69/1071787969.db2.gz KGSDUHYQNQXDSR-QFIPXVFZSA-N 1 1 497.669 3.885 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001314026185 1071788011 /nfs/dbraw/zinc/78/80/11/1071788011.db2.gz KGSDUHYQNQXDSR-JOCHJYFZSA-N 1 1 497.669 3.885 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001314026258 1071788367 /nfs/dbraw/zinc/78/83/67/1071788367.db2.gz LTJHUBURHVVNOY-NHCUHLMSSA-N 1 1 456.635 3.945 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314029675 1071799395 /nfs/dbraw/zinc/79/93/95/1071799395.db2.gz CSJLFJSAGFGJLG-UNMCSNQZSA-N 1 1 479.629 3.519 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001314036056 1071825232 /nfs/dbraw/zinc/82/52/32/1071825232.db2.gz ZFWFAWIEGZRVEE-UNMCSNQZSA-N 1 1 484.645 3.789 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001314038191 1071833030 /nfs/dbraw/zinc/83/30/30/1071833030.db2.gz PXQPNDZFHSJJPE-DHIUTWEWSA-N 1 1 468.646 3.767 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001314038327 1071833763 /nfs/dbraw/zinc/83/37/63/1071833763.db2.gz XDPMPTYTYWNYJJ-GUDVDZBRSA-N 1 1 488.608 3.755 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001314044255 1071855894 /nfs/dbraw/zinc/85/58/94/1071855894.db2.gz FSVRDPFAUGTBFU-CTNGQTDRSA-N 1 1 489.690 3.613 20 0 JHADMO CCO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)C)CC1)C1CCCC1 ZINC001314057061 1071886388 /nfs/dbraw/zinc/88/63/88/1071886388.db2.gz HAGXEGCORALMJD-JOCHJYFZSA-N 1 1 483.661 3.831 20 0 JHADMO 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 ZINC001314062325 1071900846 /nfs/dbraw/zinc/90/08/46/1071900846.db2.gz YRFCWHQZWYUYES-ANTGDGSKSA-N 1 1 489.665 3.655 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001314062766 1071902357 /nfs/dbraw/zinc/90/23/57/1071902357.db2.gz MBPBYOABSWAIQW-IEBWSBKVSA-N 1 1 468.606 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CCOC1 ZINC001314080833 1071942449 /nfs/dbraw/zinc/94/24/49/1071942449.db2.gz GNOBKVXXTLCPOX-AUSIDOKSSA-N 1 1 481.563 3.927 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314080811 1071942465 /nfs/dbraw/zinc/94/24/65/1071942465.db2.gz GHJQVUWVJXSGLG-BKMJKUGQSA-N 1 1 455.647 3.995 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[C@H](SCC)C3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314077974 1071937192 /nfs/dbraw/zinc/93/71/92/1071937192.db2.gz CNVANPLSUIOZOI-IUBSTNSRSA-N 1 1 465.708 3.915 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314082900 1071947824 /nfs/dbraw/zinc/94/78/24/1071947824.db2.gz QVPOWDFFENEYRE-RLWLMLJZSA-N 1 1 471.646 3.696 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(OC)c(C)c3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314083189 1071948239 /nfs/dbraw/zinc/94/82/39/1071948239.db2.gz IAEBWRYMPIRIKI-ATIYNZHBSA-N 1 1 471.646 3.758 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314083510 1071949559 /nfs/dbraw/zinc/94/95/59/1071949559.db2.gz IDZZMFRLFSSZBY-VWLOTQADSA-N 1 1 477.600 3.967 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001314086939 1071958782 /nfs/dbraw/zinc/95/87/82/1071958782.db2.gz WVZGIBPPHLVEDY-QHCPKHFHSA-N 1 1 463.985 3.621 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093907 1071971864 /nfs/dbraw/zinc/97/18/64/1071971864.db2.gz IAUBMOKNBLLSAF-XLNZFTOWSA-N 1 1 461.676 3.888 20 0 JHADMO 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COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)C1=O ZINC001164633619 719274329 /nfs/dbraw/zinc/27/43/29/719274329.db2.gz GOFYMKHUIZCSGA-UHFFFAOYSA-N 1 1 480.012 3.710 20 0 JHADMO O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1)N1CCCC1 ZINC001164677805 719542704 /nfs/dbraw/zinc/54/27/04/719542704.db2.gz GSZLFZGKZWYPAP-GIVPXCGWSA-N 1 1 495.693 3.772 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)c2c1C ZINC001164677935 719560896 /nfs/dbraw/zinc/56/08/96/719560896.db2.gz SNMSUKNMOUHJFO-HXUWFJFHSA-N 1 1 481.666 3.535 20 0 JHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)CC3)cs1 ZINC001164691763 719805221 /nfs/dbraw/zinc/80/52/21/719805221.db2.gz JUDIYXURVXTKJF-UHFFFAOYSA-N 1 1 499.031 3.911 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)CC3)cs1 ZINC001164691763 719805223 /nfs/dbraw/zinc/80/52/23/719805223.db2.gz JUDIYXURVXTKJF-UHFFFAOYSA-N 1 1 499.031 3.911 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001164700096 719850673 /nfs/dbraw/zinc/85/06/73/719850673.db2.gz GIBHFKJIVWZIQP-DFBJGRDBSA-N 1 1 466.607 3.899 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC001164703157 719868479 /nfs/dbraw/zinc/86/84/79/719868479.db2.gz JXVMCCDHVVDNFU-IBVKSMDESA-N 1 1 464.541 3.669 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(CSC)nc2sc3c(c21)CCCC3 ZINC001164708559 719868846 /nfs/dbraw/zinc/86/88/46/719868846.db2.gz ZWWUUYUDQOSENT-GYCJOSAFSA-N 1 1 490.695 3.666 20 0 JHADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC3)C2)c1 ZINC001164695011 719888505 /nfs/dbraw/zinc/88/85/05/719888505.db2.gz JEGLSCOBKQFFLV-UHFFFAOYSA-N 1 1 475.662 3.968 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697738 719897529 /nfs/dbraw/zinc/89/75/29/719897529.db2.gz OXIMGUFDDIKCJY-UHFFFAOYSA-N 1 1 471.957 3.999 20 0 JHADMO c1csc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)c1 ZINC001164705342 719898395 /nfs/dbraw/zinc/89/83/95/719898395.db2.gz AJFVZNWEQDBTLF-UHFFFAOYSA-N 1 1 464.591 3.848 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[C@H]4CC(=O)N5c4cnn(C)c4)c23)C1 ZINC001164710142 720074861 /nfs/dbraw/zinc/07/48/61/720074861.db2.gz HSPSSHFBZVNERU-LSTHTHJFSA-N 1 1 491.665 3.530 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164709658 720096485 /nfs/dbraw/zinc/09/64/85/720096485.db2.gz BZEPSOMWHWUNID-SFHVURJKSA-N 1 1 451.949 3.886 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164712116 720098553 /nfs/dbraw/zinc/09/85/53/720098553.db2.gz VONCDRIFMCUPLO-QHCPKHFHSA-N 1 1 463.626 3.610 20 0 JHADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164719603 720116922 /nfs/dbraw/zinc/11/69/22/720116922.db2.gz ZKSXCKHYJYQPSY-JOCHJYFZSA-N 1 1 475.593 3.709 20 0 JHADMO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713563 720128629 /nfs/dbraw/zinc/12/86/29/720128629.db2.gz RZDPOOJEHWVDNH-MLJJGGTESA-N 1 1 450.583 3.560 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001164807049 720140451 /nfs/dbraw/zinc/14/04/51/720140451.db2.gz AWJOJOJSYQZQLI-LVXARBLLSA-N 1 1 484.666 3.523 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164811796 720199995 /nfs/dbraw/zinc/19/99/95/720199995.db2.gz KCWZQVTUNIYQCL-OXQOHEQNSA-N 1 1 458.937 3.557 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)C2)C1 ZINC001164720146 720232423 /nfs/dbraw/zinc/23/24/23/720232423.db2.gz WMHFRRDAVMCEQR-AREMUKBSSA-N 1 1 498.002 3.754 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)C2)C1 ZINC001164720146 720232430 /nfs/dbraw/zinc/23/24/30/720232430.db2.gz WMHFRRDAVMCEQR-AREMUKBSSA-N 1 1 498.002 3.754 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CCC2 ZINC001164812682 720236324 /nfs/dbraw/zinc/23/63/24/720236324.db2.gz HMXPLLHMHQRROW-UHFFFAOYSA-N 1 1 481.000 3.795 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2C)cc1 ZINC001164816015 720244545 /nfs/dbraw/zinc/24/45/45/720244545.db2.gz FGCYTIVQZQUQKN-UHFFFAOYSA-N 1 1 476.625 3.500 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(CSc3ccccc3)n1)CCC2 ZINC001164817945 720245804 /nfs/dbraw/zinc/24/58/04/720245804.db2.gz UXCUANSPMYNBEE-UHFFFAOYSA-N 1 1 450.612 3.576 20 0 JHADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164824903 720422108 /nfs/dbraw/zinc/42/21/08/720422108.db2.gz MEFIEDAXYVVNED-SVFBPWRDSA-N 1 1 497.709 3.779 20 0 JHADMO 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 720557655 /nfs/dbraw/zinc/55/76/55/720557655.db2.gz XNAQEYDIBOJCBA-HBFSDRIKSA-N 1 1 459.038 3.838 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835321 720585252 /nfs/dbraw/zinc/58/52/52/720585252.db2.gz BDYRWUVHHYOOGI-HHXXYDBFSA-N 1 1 461.948 3.797 20 0 JHADMO 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 720587579 /nfs/dbraw/zinc/58/75/79/720587579.db2.gz SIBOJECIBYXYOT-PMPSAXMXSA-N 1 1 459.372 3.989 20 0 JHADMO 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 720590946 /nfs/dbraw/zinc/59/09/46/720590946.db2.gz BUXJSQMYIHWWSK-YQVWRLOYSA-N 1 1 467.948 3.641 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)CC[C@@H]21 ZINC001164841551 720630485 /nfs/dbraw/zinc/63/04/85/720630485.db2.gz TVXVENLUDXPLEL-NIYJGHKDSA-N 1 1 487.652 3.555 20 0 JHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c(OC)c1OC ZINC001164837327 720630498 /nfs/dbraw/zinc/63/04/98/720630498.db2.gz IAGHQDQJFPXDAW-ZRCGQRJVSA-N 1 1 492.624 3.744 20 0 JHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840524 720690304 /nfs/dbraw/zinc/69/03/04/720690304.db2.gz FUDAYINHNMHMBT-NRFANRHFSA-N 1 1 450.583 3.791 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841085 720699858 /nfs/dbraw/zinc/69/98/58/720699858.db2.gz HPHSCSZKLZNRCL-KRWDZBQOSA-N 1 1 469.973 3.658 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164837620 720703591 /nfs/dbraw/zinc/70/35/91/720703591.db2.gz FGFOXYDWOKNUEF-QFIPXVFZSA-N 1 1 466.626 3.818 20 0 JHADMO CSCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164742231 720764356 /nfs/dbraw/zinc/76/43/56/720764356.db2.gz NRMNSHUWLASROT-HZPDHXFCSA-N 1 1 468.652 3.565 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740728 720800235 /nfs/dbraw/zinc/80/02/35/720800235.db2.gz AHVJXEPGLYBQGR-DLBZAZTESA-N 1 1 473.911 3.959 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740728 720800240 /nfs/dbraw/zinc/80/02/40/720800240.db2.gz AHVJXEPGLYBQGR-DLBZAZTESA-N 1 1 473.911 3.959 20 0 JHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740713 720802683 /nfs/dbraw/zinc/80/26/83/720802683.db2.gz AGDFKIINCDJWDE-MSOLQXFVSA-N 1 1 452.946 3.617 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164740911 720806091 /nfs/dbraw/zinc/80/60/91/720806091.db2.gz AXGDQYHJVZDZLT-ROUUACIJSA-N 1 1 472.927 3.782 20 0 JHADMO Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164740911 720806094 /nfs/dbraw/zinc/80/60/94/720806094.db2.gz AXGDQYHJVZDZLT-ROUUACIJSA-N 1 1 472.927 3.782 20 0 JHADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748248 720812546 /nfs/dbraw/zinc/81/25/46/720812546.db2.gz QCGCYMDCXCCLDV-RVKKMQEKSA-N 1 1 457.356 3.904 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)c2c1C ZINC001164850083 720812969 /nfs/dbraw/zinc/81/29/69/720812969.db2.gz ILIBGEIXARSODQ-RTWAWAEBSA-N 1 1 476.650 3.784 20 0 JHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742661 720817901 /nfs/dbraw/zinc/81/79/01/720817901.db2.gz QJOGRQDNTYMIMI-HGHGUNKESA-N 1 1 473.959 3.799 20 0 JHADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(Cl)c2c1 ZINC001164742646 720826690 /nfs/dbraw/zinc/82/66/90/720826690.db2.gz QFLSDHUNYKYVAA-WRWLIDTKSA-N 1 1 491.949 3.938 20 0 JHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744722 720844939 /nfs/dbraw/zinc/84/49/39/720844939.db2.gz LMPYHEVNAMMJJY-OTNCWRBYSA-N 1 1 472.641 3.591 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)o2)cc1 ZINC001164750271 720849063 /nfs/dbraw/zinc/84/90/63/720849063.db2.gz WXQJPXQZELRJDS-FDFHNCONSA-N 1 1 470.581 3.564 20 0 JHADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751106 720849618 /nfs/dbraw/zinc/84/96/18/720849618.db2.gz YNAQDZDIDGFSSA-MBOZVWFJSA-N 1 1 473.959 3.799 20 0 JHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164746237 720854793 /nfs/dbraw/zinc/85/47/93/720854793.db2.gz GNKIMVUBHONVCP-KCZVDYSFSA-N 1 1 472.622 3.724 20 0 JHADMO Clc1ncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Oc2ccccc2)n1 ZINC001164746873 720858369 /nfs/dbraw/zinc/85/83/69/720858369.db2.gz GVKYRBMRQNRRFB-SFHLNBCPSA-N 1 1 465.989 3.893 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@H]2C1 ZINC001164853588 720858935 /nfs/dbraw/zinc/85/89/35/720858935.db2.gz HTKLDNQDXGFGBF-SUMWQHHRSA-N 1 1 461.340 3.655 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753890 720859317 /nfs/dbraw/zinc/85/93/17/720859317.db2.gz ZAWDRSXNRMKPCS-YQQAZPJKSA-N 1 1 473.355 3.784 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743867 720860023 /nfs/dbraw/zinc/86/00/23/720860023.db2.gz APZIFPAVECLBIE-SLFFLAALSA-N 1 1 496.015 3.902 20 0 JHADMO FC(F)(N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164744123 720860428 /nfs/dbraw/zinc/86/04/28/720860428.db2.gz BPAJLGZGIAEDMO-YSIASYRMSA-N 1 1 462.976 3.826 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CCCCC4)nn2)C3)c1 ZINC001164749014 720869152 /nfs/dbraw/zinc/86/91/52/720869152.db2.gz GCPVPLGMPGSQRW-SQHAQQRYSA-N 1 1 462.642 3.617 20 0 JHADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCCCC1 ZINC001164754571 720873261 /nfs/dbraw/zinc/87/32/61/720873261.db2.gz SAWSUXVDIDEMCD-SVEHJYQDSA-N 1 1 489.664 3.858 20 0 JHADMO COC(=O)c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747972 720873661 /nfs/dbraw/zinc/87/36/61/720873661.db2.gz DADZZEFSMCDXMO-CJFMBICVSA-N 1 1 471.001 3.672 20 0 JHADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCC2 ZINC001164750808 720875537 /nfs/dbraw/zinc/87/55/37/720875537.db2.gz JZVOCMYEUZYTRM-CJFMBICVSA-N 1 1 454.018 3.769 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164856568 720875594 /nfs/dbraw/zinc/87/55/94/720875594.db2.gz IGYFWPJNPLBBGO-WOJBJXKFSA-N 1 1 453.612 3.544 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)CC[C@@H]2C1 ZINC001164861453 720876475 /nfs/dbraw/zinc/87/64/75/720876475.db2.gz PNOVVPAKGOZKHX-TUNNFDKTSA-N 1 1 499.725 3.585 20 0 JHADMO Clc1ccc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755843 720877215 /nfs/dbraw/zinc/87/72/15/720877215.db2.gz ZCBWHUKCKAETRW-CPJSRVTESA-N 1 1 465.001 3.828 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]2C1 ZINC001164854447 720877665 /nfs/dbraw/zinc/87/76/65/720877665.db2.gz FGIQCDOWBWMXGY-YLJYHZDGSA-N 1 1 452.933 3.515 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]2C1 ZINC001164864732 720877766 /nfs/dbraw/zinc/87/77/66/720877766.db2.gz WUHADGCHXJFDBJ-PBHICJAKSA-N 1 1 458.962 3.577 20 0 JHADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750130 720877840 /nfs/dbraw/zinc/87/78/40/720877840.db2.gz IYCMKNNFQUNBDG-UNMCSNQZSA-N 1 1 463.960 3.825 20 0 JHADMO COC(=O)c1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754469 720878551 /nfs/dbraw/zinc/87/85/51/720878551.db2.gz RWNXVQKZBNCQTB-CJFMBICVSA-N 1 1 471.001 3.672 20 0 JHADMO COc1nc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755233 720880145 /nfs/dbraw/zinc/88/01/45/720880145.db2.gz VEVZXFFAFRFLEB-WXVAWEFUSA-N 1 1 459.594 3.789 20 0 JHADMO COC(=O)c1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc21 ZINC001164754048 720882359 /nfs/dbraw/zinc/88/23/59/720882359.db2.gz QUSMCFMZSSGPCK-SKCUWOTOSA-N 1 1 487.604 3.567 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@H]2C1 ZINC001164863718 720884978 /nfs/dbraw/zinc/88/49/78/720884978.db2.gz UBADERKKVLIVRB-FXAWDEMLSA-N 1 1 452.933 3.515 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2[nH]cnc2n1 ZINC001164756575 720886340 /nfs/dbraw/zinc/88/63/40/720886340.db2.gz QNJIECVAOKENLG-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2nc[nH]c2n1 ZINC001164756575 720886342 /nfs/dbraw/zinc/88/63/42/720886342.db2.gz QNJIECVAOKENLG-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2nc[nH]c2n1 ZINC001164756575 720886345 /nfs/dbraw/zinc/88/63/45/720886345.db2.gz QNJIECVAOKENLG-CYFREDJKSA-N 1 1 452.990 3.761 20 0 JHADMO COc1cc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1OC ZINC001164754025 720886918 /nfs/dbraw/zinc/88/69/18/720886918.db2.gz IILHXOCMGKQIOE-SKCUWOTOSA-N 1 1 489.620 3.797 20 0 JHADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752505 720890281 /nfs/dbraw/zinc/89/02/81/720890281.db2.gz DUCXCLUKWPLVQW-UNMCSNQZSA-N 1 1 463.960 3.825 20 0 JHADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754560 720890564 /nfs/dbraw/zinc/89/05/64/720890564.db2.gz JJAHJJIGCUSLPN-YWEHKCAJSA-N 1 1 477.653 3.760 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4OC)nnc3Cl)CC[C@H]2C1 ZINC001164860106 720891553 /nfs/dbraw/zinc/89/15/53/720891553.db2.gz SISSGSBDHXRNGH-HRAATJIYSA-N 1 1 482.959 3.524 20 0 JHADMO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C ZINC001164753849 720893156 /nfs/dbraw/zinc/89/31/56/720893156.db2.gz HIVJLVLFQANEEV-WNCULLNHSA-N 1 1 464.610 3.717 20 0 JHADMO COC(=O)c1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753958 720893763 /nfs/dbraw/zinc/89/37/63/720893763.db2.gz HXXWMIVVTUTBNA-LXFBAYGMSA-N 1 1 487.604 3.567 20 0 JHADMO COc1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c(OC)c1 ZINC001164750801 720893880 /nfs/dbraw/zinc/89/38/80/720893880.db2.gz BZBGITMLNUHLEG-RBISFHTESA-N 1 1 489.620 3.797 20 0 JHADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749728 720895795 /nfs/dbraw/zinc/89/57/95/720895795.db2.gz AOCVWDBLQCSJHR-VAVYLYDRSA-N 1 1 499.663 3.755 20 0 JHADMO CCOC(=O)/C=C/c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755960 720897138 /nfs/dbraw/zinc/89/71/38/720897138.db2.gz NTVULCFLLSZQGG-ITSGFCLFSA-N 1 1 476.621 3.808 20 0 JHADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855357 720898816 /nfs/dbraw/zinc/89/88/16/720898816.db2.gz BIOBXXHDTHSIPK-FUFSCUOVSA-N 1 1 483.616 3.593 20 0 JHADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855357 720898823 /nfs/dbraw/zinc/89/88/23/720898823.db2.gz BIOBXXHDTHSIPK-FUFSCUOVSA-N 1 1 483.616 3.593 20 0 JHADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855361 720898909 /nfs/dbraw/zinc/89/89/09/720898909.db2.gz BIOBXXHDTHSIPK-GIGWZHCTSA-N 1 1 483.616 3.593 20 0 JHADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164855361 720898912 /nfs/dbraw/zinc/89/89/12/720898912.db2.gz BIOBXXHDTHSIPK-GIGWZHCTSA-N 1 1 483.616 3.593 20 0 JHADMO Clc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH]c2n1 ZINC001164757509 720902171 /nfs/dbraw/zinc/90/21/71/720902171.db2.gz VKLDXJGLJMFRPO-NTKDMRAZSA-N 1 1 452.990 3.761 20 0 JHADMO CCOCc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755672 720903175 /nfs/dbraw/zinc/90/31/75/720903175.db2.gz MKZXDUQKXANGHG-RCZVLFRGSA-N 1 1 472.033 3.817 20 0 JHADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746470 720905614 /nfs/dbraw/zinc/90/56/14/720905614.db2.gz ANRIOFCAQWOLNO-XXBNENTESA-N 1 1 493.986 3.834 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCCCC4)ncn2)C3)c1 ZINC001164755079 720911237 /nfs/dbraw/zinc/91/12/37/720911237.db2.gz YDLAWCOEBQTUEP-RPLLCQBOSA-N 1 1 462.642 3.617 20 0 JHADMO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754683 720937783 /nfs/dbraw/zinc/93/77/83/720937783.db2.gz XHIJMHRKKRBHHA-SIKLNZKXSA-N 1 1 479.959 3.705 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)[C@@H]2C ZINC001164857207 720996839 /nfs/dbraw/zinc/99/68/39/720996839.db2.gz DKALMLSPFKSDSV-OAHLLOKOSA-N 1 1 454.579 3.923 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)[C@H]2C ZINC001164862259 721007633 /nfs/dbraw/zinc/00/76/33/721007633.db2.gz PMJGNEXZYHWGEH-FQEVSTJZSA-N 1 1 478.620 3.560 20 0 JHADMO COc1ccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)cc1 ZINC001164861111 721034660 /nfs/dbraw/zinc/03/46/60/721034660.db2.gz BWCOEPWKELDFSR-UHFFFAOYSA-N 1 1 485.926 3.855 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@H]3C2)cn1 ZINC001164761729 721124434 /nfs/dbraw/zinc/12/44/34/721124434.db2.gz AVBZTLCJTGJZLB-LSDHHAIUSA-N 1 1 450.896 3.659 20 0 JHADMO COC(=O)c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164870227 721135183 /nfs/dbraw/zinc/13/51/83/721135183.db2.gz BXVKJYFWANHTQX-DNQXCXABSA-N 1 1 458.562 3.718 20 0 JHADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877679 721149656 /nfs/dbraw/zinc/14/96/56/721149656.db2.gz PPWDAUSSQGLISE-IAGOWNOFSA-N 1 1 461.900 3.810 20 0 JHADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768729 721201044 /nfs/dbraw/zinc/20/10/44/721201044.db2.gz LQFPCHHNGXQUBH-NHCUHLMSSA-N 1 1 467.687 3.842 20 0 JHADMO COc1ccc2nc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164765076 721210258 /nfs/dbraw/zinc/21/02/58/721210258.db2.gz HQDARZTVWNJZEA-HZPDHXFCSA-N 1 1 462.932 3.529 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761153 721242176 /nfs/dbraw/zinc/24/21/76/721242176.db2.gz HVBHZKWUMQLVRF-ZWKOTPCHSA-N 1 1 454.962 3.623 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)C2)cc1 ZINC001164879771 721247071 /nfs/dbraw/zinc/24/70/71/721247071.db2.gz YRNURQJPLPQRCI-RZFJZAQRSA-N 1 1 457.578 3.635 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)C2)cc1 ZINC001164879771 721247076 /nfs/dbraw/zinc/24/70/76/721247076.db2.gz YRNURQJPLPQRCI-RZFJZAQRSA-N 1 1 457.578 3.635 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)C2)cc1 ZINC001164879768 721247117 /nfs/dbraw/zinc/24/71/17/721247117.db2.gz YRNURQJPLPQRCI-DFCKQENNSA-N 1 1 457.578 3.635 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)C2)cc1 ZINC001164879768 721247126 /nfs/dbraw/zinc/24/71/26/721247126.db2.gz YRNURQJPLPQRCI-DFCKQENNSA-N 1 1 457.578 3.635 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@H]3C2)n1 ZINC001164762919 721256457 /nfs/dbraw/zinc/25/64/57/721256457.db2.gz LSGOLVBOBGOERU-HLAWJBBLSA-N 1 1 497.665 3.758 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879752 721259168 /nfs/dbraw/zinc/25/91/68/721259168.db2.gz YNLKHLCHDKIAGB-RPLLCQBOSA-N 1 1 464.610 3.503 20 0 JHADMO Cc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)n2)cc1 ZINC001164872422 721279124 /nfs/dbraw/zinc/27/91/24/721279124.db2.gz CMFFBYHGYDZYHK-UHFFFAOYSA-N 1 1 473.621 3.612 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778113 721331155 /nfs/dbraw/zinc/33/11/55/721331155.db2.gz UNPKUDLKEXRZIB-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778113 721331160 /nfs/dbraw/zinc/33/11/60/721331160.db2.gz UNPKUDLKEXRZIB-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164886415 721344206 /nfs/dbraw/zinc/34/42/06/721344206.db2.gz SFGUZOSDORUTQE-FQRUVTKNSA-N 1 1 483.682 3.806 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778707 721346659 /nfs/dbraw/zinc/34/66/59/721346659.db2.gz NWGSOMJQVJKYKN-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778707 721346663 /nfs/dbraw/zinc/34/66/63/721346663.db2.gz NWGSOMJQVJKYKN-QFIPXVFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782936 721358169 /nfs/dbraw/zinc/35/81/69/721358169.db2.gz NTTDORBXUAJCBO-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO COC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782936 721358171 /nfs/dbraw/zinc/35/81/71/721358171.db2.gz NTTDORBXUAJCBO-SANMLTNESA-N 1 1 464.566 3.745 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ncn4C(C)C)C2)C1 ZINC001164784054 721360312 /nfs/dbraw/zinc/36/03/12/721360312.db2.gz QGAVQILDWVOTGM-HSZRJFAPSA-N 1 1 474.009 3.784 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)n1 ZINC001164882181 721366371 /nfs/dbraw/zinc/36/63/71/721366371.db2.gz HETPRYLQQHBZKX-WOJBJXKFSA-N 1 1 483.613 3.910 20 0 JHADMO COCCN1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)Cc2cccnc21 ZINC001164886135 721369372 /nfs/dbraw/zinc/36/93/72/721369372.db2.gz LDDJOYNHFAWEMG-UHFFFAOYSA-N 1 1 452.628 3.772 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4c3CCC4)C2)C1 ZINC001164785276 721370975 /nfs/dbraw/zinc/37/09/75/721370975.db2.gz SWGZEAZYWZJZIJ-MHZLTWQESA-N 1 1 474.609 3.751 20 0 JHADMO Cn1cc(N2C[C@@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)CC2=O)cn1 ZINC001164886809 721372736 /nfs/dbraw/zinc/37/27/36/721372736.db2.gz NYXLHBUJNDEYNR-SANMLTNESA-N 1 1 491.665 3.533 20 0 JHADMO Cn1cc(N2C[C@@]3(CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C3)CC2=O)cn1 ZINC001164888100 721372839 /nfs/dbraw/zinc/37/28/39/721372839.db2.gz UDOWDQMGWSPPAC-SANMLTNESA-N 1 1 491.665 3.533 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1 ZINC001164780335 721381814 /nfs/dbraw/zinc/38/18/14/721381814.db2.gz GATFLEAJBLVMBQ-SRNFOCHHSA-N 1 1 463.626 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888963 721408739 /nfs/dbraw/zinc/40/87/39/721408739.db2.gz PVWNNQGOTKCIGR-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO Cc1cccc(Sc2cncc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164895806 721427853 /nfs/dbraw/zinc/42/78/53/721427853.db2.gz PSWAJCMHWPJPFH-PXDATVDWSA-N 1 1 453.656 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895448 721436248 /nfs/dbraw/zinc/43/62/48/721436248.db2.gz PDQSFHUHYCBAFW-GBXCKJPGSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899865 721439514 /nfs/dbraw/zinc/43/95/14/721439514.db2.gz ZKPNEBOAGWFTCO-WZONZLPQSA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889621 721444885 /nfs/dbraw/zinc/44/48/85/721444885.db2.gz CJASXYHSXUOMJU-DFBJGRDBSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164885560 721453354 /nfs/dbraw/zinc/45/33/54/721453354.db2.gz FOEJZIVMXTZQOR-VGSWGCGISA-N 1 1 454.993 3.534 20 0 JHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164790144 721455873 /nfs/dbraw/zinc/45/58/73/721455873.db2.gz XBDHINGFRPHTCB-HXUWFJFHSA-N 1 1 480.049 3.954 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)n1 ZINC001164886503 721459544 /nfs/dbraw/zinc/45/95/44/721459544.db2.gz GWURQTCHLCESGJ-QHAWAJNXSA-N 1 1 477.634 3.682 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164790619 721466735 /nfs/dbraw/zinc/46/67/35/721466735.db2.gz SMFZWTWDHSOCFZ-HSZRJFAPSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164786296 721468041 /nfs/dbraw/zinc/46/80/41/721468041.db2.gz ARKCWVDTONWLGF-SFHVURJKSA-N 1 1 485.019 3.898 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164791752 721469268 /nfs/dbraw/zinc/46/92/68/721469268.db2.gz YLCBOGAGSVQSDI-XMMPIXPASA-N 1 1 465.642 3.889 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164787235 721473936 /nfs/dbraw/zinc/47/39/36/721473936.db2.gz DMZVMTCWMRCDAW-FQEVSTJZSA-N 1 1 467.589 3.984 20 0 JHADMO O=C(C[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCC(F)CC1 ZINC001164894991 721477433 /nfs/dbraw/zinc/47/74/33/721477433.db2.gz QDHOWXLSEQESSQ-DGWZTRNLSA-N 1 1 492.639 3.689 20 0 JHADMO c1cnn(C[C@@H]2Cn3ccnc3CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)c1 ZINC001164894837 721487125 /nfs/dbraw/zinc/48/71/25/721487125.db2.gz JMGCCMXMEQAPEZ-LJQANCHMSA-N 1 1 488.665 3.896 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805543 721531101 /nfs/dbraw/zinc/53/11/01/721531101.db2.gz MGNCFASIPDHHBW-MPGHIAIKSA-N 1 1 455.962 3.660 20 0 JHADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805543 721531102 /nfs/dbraw/zinc/53/11/02/721531102.db2.gz MGNCFASIPDHHBW-MPGHIAIKSA-N 1 1 455.962 3.660 20 0 JHADMO 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 721546989 /nfs/dbraw/zinc/54/69/89/721546989.db2.gz GKSPFKHATMTHGZ-XGQMCVAFSA-N 1 1 496.583 3.733 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164905897 721558694 /nfs/dbraw/zinc/55/86/94/721558694.db2.gz HXRGBDUUSSXIGD-IRLDBZIGSA-N 1 1 462.525 3.786 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911089 721559201 /nfs/dbraw/zinc/55/92/01/721559201.db2.gz YHRIVFIIUJRBMO-RXVVDRJESA-N 1 1 450.514 3.642 20 0 JHADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911082 721559400 /nfs/dbraw/zinc/55/94/00/721559400.db2.gz YHRIVFIIUJRBMO-GHTZIAJQSA-N 1 1 450.514 3.642 20 0 JHADMO COC(=O)c1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164904088 721559772 /nfs/dbraw/zinc/55/97/72/721559772.db2.gz CZKJYTWQZRNIHC-MJGOQNOKSA-N 1 1 451.498 3.511 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164803136 721563280 /nfs/dbraw/zinc/56/32/80/721563280.db2.gz JQADVIHIYVLVLT-DWLFOUALSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164803136 721563283 /nfs/dbraw/zinc/56/32/83/721563283.db2.gz JQADVIHIYVLVLT-DWLFOUALSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164803138 721563299 /nfs/dbraw/zinc/56/32/99/721563299.db2.gz JQADVIHIYVLVLT-SYYKKAFVSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164803138 721563303 /nfs/dbraw/zinc/56/33/03/721563303.db2.gz JQADVIHIYVLVLT-SYYKKAFVSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800381 721565247 /nfs/dbraw/zinc/56/52/47/721565247.db2.gz FIEFULGHRIHYTK-VAMGGRTRSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800381 721565249 /nfs/dbraw/zinc/56/52/49/721565249.db2.gz FIEFULGHRIHYTK-VAMGGRTRSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164800383 721565571 /nfs/dbraw/zinc/56/55/71/721565571.db2.gz FIEFULGHRIHYTK-ZCNNSNEGSA-N 1 1 470.936 3.720 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164800383 721565573 /nfs/dbraw/zinc/56/55/73/721565573.db2.gz FIEFULGHRIHYTK-ZCNNSNEGSA-N 1 1 470.936 3.720 20 0 JHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@H+]3C2)c1 ZINC001164903179 721568565 /nfs/dbraw/zinc/56/85/65/721568565.db2.gz BILKSODRZMXTCJ-DZGCQCFKSA-N 1 1 469.920 3.852 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC001164902501 721580533 /nfs/dbraw/zinc/58/05/33/721580533.db2.gz FRIXQWNKJJZNPD-RUZDIDTESA-N 1 1 481.670 3.816 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164806866 721582375 /nfs/dbraw/zinc/58/23/75/721582375.db2.gz NJCDCAUNESTOBO-DGWZTRNLSA-N 1 1 458.562 3.702 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164806866 721582378 /nfs/dbraw/zinc/58/23/78/721582378.db2.gz NJCDCAUNESTOBO-DGWZTRNLSA-N 1 1 458.562 3.702 20 0 JHADMO COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904118 721587506 /nfs/dbraw/zinc/58/75/06/721587506.db2.gz DFBDQABMHBQZAV-QHCPKHFHSA-N 1 1 453.493 3.549 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802603 721588313 /nfs/dbraw/zinc/58/83/13/721588313.db2.gz HAMJAZGNZZJOIJ-NJDAHSKKSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802603 721588314 /nfs/dbraw/zinc/58/83/14/721588314.db2.gz HAMJAZGNZZJOIJ-NJDAHSKKSA-N 1 1 458.990 3.954 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164811343 721588648 /nfs/dbraw/zinc/58/86/48/721588648.db2.gz XKUOXUGYRFYFSX-SGIRGMQISA-N 1 1 465.985 3.972 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164811343 721588650 /nfs/dbraw/zinc/58/86/50/721588650.db2.gz XKUOXUGYRFYFSX-SGIRGMQISA-N 1 1 465.985 3.972 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@@H]2CCCO[C@@H]12 ZINC001164810893 721592220 /nfs/dbraw/zinc/59/22/20/721592220.db2.gz WQDWLJBRMASSJX-IIDMSEBBSA-N 1 1 480.972 3.634 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)[C@@H]2CCCO[C@@H]12 ZINC001164810893 721592223 /nfs/dbraw/zinc/59/22/23/721592223.db2.gz WQDWLJBRMASSJX-IIDMSEBBSA-N 1 1 480.972 3.634 20 0 JHADMO FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906529 721695304 /nfs/dbraw/zinc/69/53/04/721695304.db2.gz NICFAAMJFBJHEO-QFIPXVFZSA-N 1 1 462.976 3.730 20 0 JHADMO CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906211 721699274 /nfs/dbraw/zinc/69/92/74/721699274.db2.gz MCGUMUSWTURUFV-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906121 721703508 /nfs/dbraw/zinc/70/35/08/721703508.db2.gz KBDHQMOSUAKYDL-HSZRJFAPSA-N 1 1 457.525 3.663 20 0 JHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906123 721704344 /nfs/dbraw/zinc/70/43/44/721704344.db2.gz KBDHQMOSUAKYDL-QHCPKHFHSA-N 1 1 457.525 3.663 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909788 721742101 /nfs/dbraw/zinc/74/21/01/721742101.db2.gz DQKANUPTVDBVBQ-LITSAYRRSA-N 1 1 483.616 3.977 20 0 JHADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CN1c1cccnc1 ZINC001165018305 721792067 /nfs/dbraw/zinc/79/20/67/721792067.db2.gz HPKVBNMGYZYSFM-PXNSSMCTSA-N 1 1 474.634 3.660 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(c5cccnc5)C(=O)[C@H]4C3)c2c1C ZINC001165026595 721792168 /nfs/dbraw/zinc/79/21/68/721792168.db2.gz ZWCFVNWXLRTAJN-QUCCMNQESA-N 1 1 462.623 3.788 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027473 721797033 /nfs/dbraw/zinc/79/70/33/721797033.db2.gz VUXJTJUIJXXHMP-DSITVLBTSA-N 1 1 464.610 3.643 20 0 JHADMO FC(F)c1nc2ccc(Cl)cc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915346 721798958 /nfs/dbraw/zinc/79/89/58/721798958.db2.gz WKTSJIVSBHMNMT-QHCPKHFHSA-N 1 1 475.927 3.724 20 0 JHADMO FC(F)c1nc2ccc(Cl)cc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915346 721798960 /nfs/dbraw/zinc/79/89/60/721798960.db2.gz WKTSJIVSBHMNMT-QHCPKHFHSA-N 1 1 475.927 3.724 20 0 JHADMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164919564 721809870 /nfs/dbraw/zinc/80/98/70/721809870.db2.gz ZLCOTNQDIOEJLH-QUURXOELSA-N 1 1 477.634 3.692 20 0 JHADMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164919564 721809871 /nfs/dbraw/zinc/80/98/71/721809871.db2.gz ZLCOTNQDIOEJLH-QUURXOELSA-N 1 1 477.634 3.692 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026702 721825220 /nfs/dbraw/zinc/82/52/20/721825220.db2.gz PNFOHWPLWCKHJZ-WWPVKYPJSA-N 1 1 471.671 3.680 20 0 JHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C(=O)OCC ZINC001165024024 721832310 /nfs/dbraw/zinc/83/23/10/721832310.db2.gz JIBZAVATTRPNLW-TZYHBYERSA-N 1 1 466.582 3.567 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@@H]21 ZINC001165025144 721832556 /nfs/dbraw/zinc/83/25/56/721832556.db2.gz LXCKQNIGXSHPEL-YTQUADARSA-N 1 1 477.440 3.752 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)nc2OC)CC1 ZINC001165022013 721843125 /nfs/dbraw/zinc/84/31/25/721843125.db2.gz MKOQNGRSSSPGCX-UHFFFAOYSA-N 1 1 456.921 3.802 20 0 JHADMO COC(=O)c1nc(Cl)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165030918 721845223 /nfs/dbraw/zinc/84/52/23/721845223.db2.gz MDYXKGRGKSRDCZ-UHFFFAOYSA-N 1 1 469.369 3.688 20 0 JHADMO O=C(C[C@@H]1OC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]21)NC1CCC1 ZINC001164933719 721895746 /nfs/dbraw/zinc/89/57/46/721895746.db2.gz NEOQFDLYEJDMLX-NOOIUNMQSA-N 1 1 460.622 3.540 20 0 JHADMO 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CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)n1 ZINC001164955793 722009995 /nfs/dbraw/zinc/00/99/95/722009995.db2.gz ZHWFVDHXHNWLLE-UUOWRZLLSA-N 1 1 474.675 3.549 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)n1 ZINC001164965439 722042201 /nfs/dbraw/zinc/04/22/01/722042201.db2.gz YQWHPZHTFZIAFG-OKZBNKHCSA-N 1 1 456.616 3.678 20 0 JHADMO O=C(c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1)N1CCCCC1 ZINC001164960451 722053926 /nfs/dbraw/zinc/05/39/26/722053926.db2.gz NUACCDCVKNOEPO-UHFFFAOYSA-N 1 1 484.044 3.875 20 0 JHADMO Clc1ncc(OCc2ccccc2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979765 722120570 /nfs/dbraw/zinc/12/05/70/722120570.db2.gz PUBNFDMCMFWXOF-GGAORHGYSA-N 1 1 465.985 3.831 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164979036 722128059 /nfs/dbraw/zinc/12/80/59/722128059.db2.gz OUFLCTXXRXEKKE-FXAWDEMLSA-N 1 1 470.936 3.579 20 0 JHADMO 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CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001306660872 1069380211 /nfs/dbraw/zinc/38/02/11/1069380211.db2.gz AAGBZTOTPPDFLG-NRFANRHFSA-N 1 1 456.635 3.806 20 0 JHADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001311449999 1069384027 /nfs/dbraw/zinc/38/40/27/1069384027.db2.gz UVQZZEQUFOGBLD-QZTJIDSGSA-N 1 1 454.384 3.606 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001306664729 1069389943 /nfs/dbraw/zinc/38/99/43/1069389943.db2.gz LQOHPCYJISAOCC-UHFFFAOYSA-N 1 1 482.648 3.745 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001306666080 1069393131 /nfs/dbraw/zinc/39/31/31/1069393131.db2.gz VSKLVUJUXBVSGV-DEOSSOPVSA-N 1 1 481.689 3.613 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001306677730 1069401646 /nfs/dbraw/zinc/40/16/46/1069401646.db2.gz BPURAIHTDGOZAM-BJKOFHAPSA-N 1 1 474.694 3.727 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2OC)CC1 ZINC001306678194 1069402437 /nfs/dbraw/zinc/40/24/37/1069402437.db2.gz JGKUBNBBEHPIPE-UHFFFAOYSA-N 1 1 469.609 3.823 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCC3)cc2)C[C@H](C)O1 ZINC001311495820 1069405649 /nfs/dbraw/zinc/40/56/49/1069405649.db2.gz INKBSVBXCNMHQR-BKSPAHHJSA-N 1 1 451.611 3.999 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OC)CC1 ZINC001306679713 1069406031 /nfs/dbraw/zinc/40/60/31/1069406031.db2.gz SHUWLDZBVFLDSF-QFIPXVFZSA-N 1 1 456.635 3.920 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC1 ZINC001306680627 1069407801 /nfs/dbraw/zinc/40/78/01/1069407801.db2.gz RSFSNMPDBLJKQH-HXUWFJFHSA-N 1 1 494.482 3.737 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC(C)(C)CCCc3ccccc3)cc2)CC1 ZINC001311502383 1069411648 /nfs/dbraw/zinc/41/16/48/1069411648.db2.gz URFAWSCOLKOAJG-UHFFFAOYSA-N 1 1 450.627 3.923 20 0 JHADMO CCc1nc(C[NH+]2CCC(CNC(=O)NCc3ccc(N4CCCCC4)nc3)CC2)cs1 ZINC001311504134 1069412315 /nfs/dbraw/zinc/41/23/15/1069412315.db2.gz OSHOGNYCNBCNFW-UHFFFAOYSA-N 1 1 456.660 3.802 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccn(C)n2)CC1 ZINC001306680976 1069408960 /nfs/dbraw/zinc/40/89/60/1069408960.db2.gz RNSDCJLKOQJFHJ-UHFFFAOYSA-N 1 1 451.619 3.684 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001306681388 1069409980 /nfs/dbraw/zinc/40/99/80/1069409980.db2.gz LKBACMZZKWDOII-UXHICEINSA-N 1 1 476.572 3.526 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306681188 1069410027 /nfs/dbraw/zinc/41/00/27/1069410027.db2.gz YZXMRWOPWIROGX-NRFANRHFSA-N 1 1 493.027 3.616 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001306683435 1069416574 /nfs/dbraw/zinc/41/65/74/1069416574.db2.gz UDNMZIHOXZDUIZ-NRFANRHFSA-N 1 1 479.629 3.940 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001306683548 1069417281 /nfs/dbraw/zinc/41/72/81/1069417281.db2.gz WKOLTIOFAZNAND-KNQAVFIVSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306682786 1069414623 /nfs/dbraw/zinc/41/46/23/1069414623.db2.gz NPCPDPOXFDXKKH-VWLOTQADSA-N 1 1 491.702 3.722 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001306682875 1069415203 /nfs/dbraw/zinc/41/52/03/1069415203.db2.gz PEJIMERNEIBQCP-UHFFFAOYSA-N 1 1 450.990 3.561 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)=O)CC1 ZINC001306682931 1069415289 /nfs/dbraw/zinc/41/52/89/1069415289.db2.gz QVYVIGSVLYQVJL-UHFFFAOYSA-N 1 1 450.990 3.528 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001306683063 1069416076 /nfs/dbraw/zinc/41/60/76/1069416076.db2.gz NQDNOWPSYPYZCD-UHFFFAOYSA-N 1 1 463.634 3.835 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001306683933 1069418742 /nfs/dbraw/zinc/41/87/42/1069418742.db2.gz GGJOFNSYRNNDEA-NRFANRHFSA-N 1 1 476.000 3.781 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306685321 1069420644 /nfs/dbraw/zinc/42/06/44/1069420644.db2.gz AWRRLSQDFOYLGZ-XMMPIXPASA-N 1 1 486.636 3.920 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306686594 1069423094 /nfs/dbraw/zinc/42/30/94/1069423094.db2.gz DRKGGXZIJSOOJG-UHFFFAOYSA-N 1 1 485.677 3.832 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001306686920 1069423170 /nfs/dbraw/zinc/42/31/70/1069423170.db2.gz BHXDAPGVEFPAMS-QYZOEREBSA-N 1 1 452.619 3.876 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306687841 1069424567 /nfs/dbraw/zinc/42/45/67/1069424567.db2.gz LQHQJALHDDDYKT-FQEVSTJZSA-N 1 1 458.607 3.774 20 0 JHADMO CCCC[N@@H+](C)CCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1C(C)(C)C ZINC001306688012 1069425374 /nfs/dbraw/zinc/42/53/74/1069425374.db2.gz NMRXBLGOVHHJOW-UHFFFAOYSA-N 1 1 470.662 3.555 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001306689456 1069426648 /nfs/dbraw/zinc/42/66/48/1069426648.db2.gz VYLVWXRXUULUMK-QHWMMSMNSA-N 1 1 485.673 3.979 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001306689643 1069427084 /nfs/dbraw/zinc/42/70/84/1069427084.db2.gz XEMTVQBUQGHIEG-HSZRJFAPSA-N 1 1 450.635 3.651 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306689709 1069427107 /nfs/dbraw/zinc/42/71/07/1069427107.db2.gz YSMDNDSWPCGXBW-FQEVSTJZSA-N 1 1 491.706 3.811 20 0 JHADMO C[N@@H+](CCCNC(=O)NCCc1ccc(I)cc1)Cc1ccccc1 ZINC001311554381 1069436868 /nfs/dbraw/zinc/43/68/68/1069436868.db2.gz NKJXOLXWRUJOFC-UHFFFAOYSA-N 1 1 451.352 3.655 20 0 JHADMO CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001306714593 1069446228 /nfs/dbraw/zinc/44/62/28/1069446228.db2.gz OCBDRSSRGSPAIF-YLJYHZDGSA-N 1 1 478.435 3.577 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001306722167 1069459015 /nfs/dbraw/zinc/45/90/15/1069459015.db2.gz HQUHJAUNOUQKMW-JOCHJYFZSA-N 1 1 456.610 3.909 20 0 JHADMO CC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608801 1069460868 /nfs/dbraw/zinc/46/08/68/1069460868.db2.gz WWORHOODPZPGCR-FYYLOGMGSA-N 1 1 456.631 3.512 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(OC)C1 ZINC001306723842 1069464675 /nfs/dbraw/zinc/46/46/75/1069464675.db2.gz VOCOCAMMGMIYFF-FQEVSTJZSA-N 1 1 457.619 3.842 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306724381 1069465353 /nfs/dbraw/zinc/46/53/53/1069465353.db2.gz YPZUYLJTIOUCPQ-NRFANRHFSA-N 1 1 455.651 3.623 20 0 JHADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccccc2)c1 ZINC001311615467 1069467825 /nfs/dbraw/zinc/46/78/25/1069467825.db2.gz UYXMKSXWBRIWKS-XMMPIXPASA-N 1 1 450.583 3.784 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001306726230 1069468889 /nfs/dbraw/zinc/46/88/89/1069468889.db2.gz KOJKZLLSJRLKCA-UGKGYDQZSA-N 1 1 473.065 3.844 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C ZINC001306727055 1069471158 /nfs/dbraw/zinc/47/11/58/1069471158.db2.gz CCBMSAQFFZHQHM-FQEVSTJZSA-N 1 1 480.657 3.963 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001306727070 1069471228 /nfs/dbraw/zinc/47/12/28/1069471228.db2.gz CKZCGRRAXSYFAP-JFCAZQBUSA-N 1 1 463.667 3.518 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001306727154 1069471634 /nfs/dbraw/zinc/47/16/34/1069471634.db2.gz AWTPFLAEJCXFGK-GPJHCHHRSA-N 1 1 474.694 3.773 20 0 JHADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001311621047 1069471714 /nfs/dbraw/zinc/47/17/14/1069471714.db2.gz NHVUEGBEOFVVFE-LJQANCHMSA-N 1 1 458.006 3.569 20 0 JHADMO C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC001311622185 1069472745 /nfs/dbraw/zinc/47/27/45/1069472745.db2.gz JJZSZGYSVANMSH-VHKYSDTDSA-N 1 1 450.352 3.696 20 0 JHADMO C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC001311622185 1069472752 /nfs/dbraw/zinc/47/27/52/1069472752.db2.gz JJZSZGYSVANMSH-VHKYSDTDSA-N 1 1 450.352 3.696 20 0 JHADMO 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 1069472842 /nfs/dbraw/zinc/47/28/42/1069472842.db2.gz FCYCZAIKHANPRI-XAPVIXHLSA-N 1 1 462.683 3.551 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)N1CCCCC1 ZINC001311622847 1069473319 /nfs/dbraw/zinc/47/33/19/1069473319.db2.gz OOXLMTWAWAIRFE-GGAORHGYSA-N 1 1 458.647 3.507 20 0 JHADMO 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 1069479701 /nfs/dbraw/zinc/47/97/01/1069479701.db2.gz AVRZDIXFLWZDJH-CUDBPUKSSA-N 1 1 488.721 3.640 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306730565 1069482498 /nfs/dbraw/zinc/48/24/98/1069482498.db2.gz NTKDORQBKVYGBL-RTWAWAEBSA-N 1 1 488.702 3.785 20 0 JHADMO 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 1069486283 /nfs/dbraw/zinc/48/62/83/1069486283.db2.gz QRYFUFRDHDAMKI-DXBBTUNJSA-N 1 1 476.710 3.670 20 0 JHADMO 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 1069491765 /nfs/dbraw/zinc/49/17/65/1069491765.db2.gz MGPKZGAPAQDHPA-BHIFYINESA-N 1 1 469.678 3.915 20 0 JHADMO C[C@H]1CN(Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493470 /nfs/dbraw/zinc/49/34/70/1069493470.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 1 1 450.627 3.713 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306733934 1069495025 /nfs/dbraw/zinc/49/50/25/1069495025.db2.gz OILXDDBKOBEVQB-JTHBVZDNSA-N 1 1 481.689 3.983 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306733764 1069495038 /nfs/dbraw/zinc/49/50/38/1069495038.db2.gz ZRHUXLJTOUBUKO-TZIWHRDSSA-N 1 1 488.702 3.785 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC001311667097 1069495146 /nfs/dbraw/zinc/49/51/46/1069495146.db2.gz WUWMIRVNGBFMMF-QUCCMNQESA-N 1 1 450.436 3.654 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668347 1069496214 /nfs/dbraw/zinc/49/62/14/1069496214.db2.gz XTNCMRMHHLQKQY-NFBKMPQASA-N 1 1 453.631 3.948 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668347 1069496217 /nfs/dbraw/zinc/49/62/17/1069496217.db2.gz XTNCMRMHHLQKQY-NFBKMPQASA-N 1 1 453.631 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CCOCc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001314365534 1070195697 /nfs/dbraw/zinc/19/56/97/1070195697.db2.gz BGQLEZWLFPYAPQ-GOSISDBHSA-N 1 1 469.556 3.746 20 0 JHADMO COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001307815960 1070196922 /nfs/dbraw/zinc/19/69/22/1070196922.db2.gz JEGVHQACLYFUIQ-FQEVSTJZSA-N 1 1 459.587 3.689 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001307816859 1070197755 /nfs/dbraw/zinc/19/77/55/1070197755.db2.gz GXMGXUSPYDCYQM-QHCPKHFHSA-N 1 1 452.599 3.788 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001307816859 1070197758 /nfs/dbraw/zinc/19/77/58/1070197758.db2.gz GXMGXUSPYDCYQM-QHCPKHFHSA-N 1 1 452.599 3.788 20 0 JHADMO CC[N@@H+](CCCNC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001312964299 1070201962 /nfs/dbraw/zinc/20/19/62/1070201962.db2.gz PDXNTHRNCZSOBQ-HSZRJFAPSA-N 1 1 451.055 3.745 20 0 JHADMO 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CN(Cc1c(F)cccc1Cl)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314720756 1070916513 /nfs/dbraw/zinc/91/65/13/1070916513.db2.gz ZMYCPHZXBXGISO-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1c(F)cccc1Cl)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314720756 1070916534 /nfs/dbraw/zinc/91/65/34/1070916534.db2.gz ZMYCPHZXBXGISO-UHFFFAOYSA-N 1 1 472.012 3.795 20 0 JHADMO CN(Cc1ccc(Br)cc1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CC=CCC1 ZINC001314726213 1070933159 /nfs/dbraw/zinc/93/31/59/1070933159.db2.gz PGDFNVTUVMEVPS-UHFFFAOYSA-N 1 1 467.415 3.925 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314726380 1070933666 /nfs/dbraw/zinc/93/36/66/1070933666.db2.gz WUJBCTBRRACLLG-KRWDZBQOSA-N 1 1 482.423 3.622 20 0 JHADMO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314726380 1070933678 /nfs/dbraw/zinc/93/36/78/1070933678.db2.gz WUJBCTBRRACLLG-KRWDZBQOSA-N 1 1 482.423 3.622 20 0 JHADMO CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001313687754 1070947421 /nfs/dbraw/zinc/94/74/21/1070947421.db2.gz YZEXSGWHOFIINL-UHFFFAOYSA-N 1 1 468.049 3.976 20 0 JHADMO CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001313687723 1070947587 /nfs/dbraw/zinc/94/75/87/1070947587.db2.gz XAGQJLKNWCMYEO-IBGZPJMESA-N 1 1 451.619 3.814 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2csc(C)n2)cc1 ZINC001309749695 1070952552 /nfs/dbraw/zinc/95/25/52/1070952552.db2.gz QSXYIKIIDNWUSX-XZOQPEGZSA-N 1 1 457.621 3.548 20 0 JHADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2cc(N)ccc2C)cc1 ZINC001309749320 1070952612 /nfs/dbraw/zinc/95/26/12/1070952612.db2.gz LOSOLLRAVRJUSC-BJKOFHAPSA-N 1 1 451.592 3.532 20 0 JHADMO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001314732546 1070952994 /nfs/dbraw/zinc/95/29/94/1070952994.db2.gz DYIGSSOVBHCXOL-DENIHFKCSA-N 1 1 477.600 3.834 20 0 JHADMO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC001309755441 1070955225 /nfs/dbraw/zinc/95/52/25/1070955225.db2.gz SPEUMMCORJYHIZ-WBVHZDCISA-N 1 1 451.976 3.565 20 0 JHADMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001309767264 1070959373 /nfs/dbraw/zinc/95/93/73/1070959373.db2.gz IUWWMEMAHGVBHK-GUYCJALGSA-N 1 1 458.809 3.686 20 0 JHADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001309767264 1070959382 /nfs/dbraw/zinc/95/93/82/1070959382.db2.gz IUWWMEMAHGVBHK-GUYCJALGSA-N 1 1 458.809 3.686 20 0 JHADMO CN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001314735895 1070961213 /nfs/dbraw/zinc/96/12/13/1070961213.db2.gz DMNGCLPPULOSDA-IFMALSPDSA-N 1 1 477.600 3.834 20 0 JHADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CCCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314739326 1070972341 /nfs/dbraw/zinc/97/23/41/1070972341.db2.gz LHRUNZSCJPYRAD-UHFFFAOYSA-N 1 1 459.660 3.850 20 0 JHADMO CN(Cc1ccccc1C(F)(F)F)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314746347 1070991198 /nfs/dbraw/zinc/99/11/98/1070991198.db2.gz ILWQYOXZGOKZBX-LJQANCHMSA-N 1 1 474.531 3.842 20 0 JHADMO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)C)CC1 ZINC001313704768 1070991773 /nfs/dbraw/zinc/99/17/73/1070991773.db2.gz LZGJHWHAUCVOKM-UHFFFAOYSA-N 1 1 461.658 3.684 20 0 JHADMO CN(Cc1ccccc1)C(=O)Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314747132 1070994435 /nfs/dbraw/zinc/99/44/35/1070994435.db2.gz VAXGRCUPPUPCQD-UHFFFAOYSA-N 1 1 466.674 3.980 20 0 JHADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2CCCn2ccnn2)CC1 ZINC001314748576 1070998250 /nfs/dbraw/zinc/99/82/50/1070998250.db2.gz HBVBFBGSLLFKHT-UHFFFAOYSA-N 1 1 450.635 3.606 20 0 JHADMO CN(Cc1ccccn1)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314751579 1071003754 /nfs/dbraw/zinc/00/37/54/1071003754.db2.gz ZBJUVAPKMXMUOO-UHFFFAOYSA-N 1 1 472.540 3.689 20 0 JHADMO CN(Cc1cccs1)c1nnc(CCc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314758962 1071013383 /nfs/dbraw/zinc/01/33/83/1071013383.db2.gz QOBZOYZZNOBLIV-UHFFFAOYSA-N 1 1 452.672 3.787 20 0 JHADMO CN(Cc1cccs1)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314758962 1071013402 /nfs/dbraw/zinc/01/34/02/1071013402.db2.gz QOBZOYZZNOBLIV-UHFFFAOYSA-N 1 1 452.672 3.787 20 0 JHADMO CN(Cc1cccs1)c1nnc(CCc2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314758962 1071013420 /nfs/dbraw/zinc/01/34/20/1071013420.db2.gz QOBZOYZZNOBLIV-UHFFFAOYSA-N 1 1 452.672 3.787 20 0 JHADMO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001314761527 1071018597 /nfs/dbraw/zinc/01/85/97/1071018597.db2.gz ZICKRLXCJRMPOC-LJQANCHMSA-N 1 1 492.455 3.859 20 0 JHADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(Cc2ccccn2)n1CC[N@@H+](C)C1CCCC1 ZINC001314763387 1071022251 /nfs/dbraw/zinc/02/22/51/1071022251.db2.gz USXDHKYUJBTSSS-UHFFFAOYSA-N 1 1 476.551 3.527 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001313722720 1071027451 /nfs/dbraw/zinc/02/74/51/1071027451.db2.gz GPMHROZWLMQDOA-OAQYLSRUSA-N 1 1 465.621 3.922 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(I)cc2C)[C@@H](C)C1 ZINC001309977808 1071036278 /nfs/dbraw/zinc/03/62/78/1071036278.db2.gz HNMRRCCQIXHIGR-YJBOKZPZSA-N 1 1 459.372 3.858 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309974812 1071034107 /nfs/dbraw/zinc/03/41/07/1071034107.db2.gz CHZMGMIBIGJXFN-HXUWFJFHSA-N 1 1 450.583 3.676 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309974812 1071034114 /nfs/dbraw/zinc/03/41/14/1071034114.db2.gz CHZMGMIBIGJXFN-HXUWFJFHSA-N 1 1 450.583 3.676 20 0 JHADMO CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CC=CCC1 ZINC001314773601 1071042485 /nfs/dbraw/zinc/04/24/85/1071042485.db2.gz AYHICQDYQQAVDD-UHFFFAOYSA-N 1 1 490.837 3.993 20 0 JHADMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001309993371 1071042773 /nfs/dbraw/zinc/04/27/73/1071042773.db2.gz BVDICUPBZACRCR-GOSISDBHSA-N 1 1 455.024 3.653 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313728831 1071040798 /nfs/dbraw/zinc/04/07/98/1071040798.db2.gz XABLDIGSOYNGKP-DSNGMDLFSA-N 1 1 481.733 3.855 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313730428 1071044601 /nfs/dbraw/zinc/04/46/01/1071044601.db2.gz YCNLYUKVAYFBKN-KRWDZBQOSA-N 1 1 483.082 3.515 20 0 JHADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCC[N@H+]1CC ZINC001313731022 1071046029 /nfs/dbraw/zinc/04/60/29/1071046029.db2.gz DJSUINAGFLGYOE-WBVHZDCISA-N 1 1 451.040 3.845 20 0 JHADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001313733989 1071053104 /nfs/dbraw/zinc/05/31/04/1071053104.db2.gz PESQSFZIUODEPH-UHFFFAOYSA-N 1 1 452.647 3.857 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001313736884 1071059205 /nfs/dbraw/zinc/05/92/05/1071059205.db2.gz YTZBHXLRAIPETP-NRFANRHFSA-N 1 1 456.610 3.687 20 0 JHADMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310017957 1071062253 /nfs/dbraw/zinc/06/22/53/1071062253.db2.gz BDKXXSJCESLPIT-HXUWFJFHSA-N 1 1 458.628 3.844 20 0 JHADMO CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001313741312 1071067408 /nfs/dbraw/zinc/06/74/08/1071067408.db2.gz MNXMRZMNTGSZMP-JOCHJYFZSA-N 1 1 473.687 3.780 20 0 JHADMO CN(CC1CCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001314790448 1071067581 /nfs/dbraw/zinc/06/75/81/1071067581.db2.gz FRGWXVRPNRHGGA-NRFANRHFSA-N 1 1 476.666 3.697 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313748327 1071078655 /nfs/dbraw/zinc/07/86/55/1071078655.db2.gz YFJJLYWFBORZFT-UHFFFAOYSA-N 1 1 465.621 3.840 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313748327 1071078663 /nfs/dbraw/zinc/07/86/63/1071078663.db2.gz YFJJLYWFBORZFT-UHFFFAOYSA-N 1 1 465.621 3.840 20 0 JHADMO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313748327 1071078676 /nfs/dbraw/zinc/07/86/76/1071078676.db2.gz YFJJLYWFBORZFT-UHFFFAOYSA-N 1 1 465.621 3.840 20 0 JHADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CCCCC1 ZINC001310044421 1071081184 /nfs/dbraw/zinc/08/11/84/1071081184.db2.gz RJONKEQLPDXZEY-XMMPIXPASA-N 1 1 451.615 3.869 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001313751278 1071085771 /nfs/dbraw/zinc/08/57/71/1071085771.db2.gz ZTMLZGBMPXTIGS-HXUWFJFHSA-N 1 1 465.646 3.723 20 0 JHADMO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001314807656 1071097138 /nfs/dbraw/zinc/09/71/38/1071097138.db2.gz VKICHQYWPADJSN-KNQAVFIVSA-N 1 1 462.038 3.698 20 0 JHADMO CCN(Cc1cnn(C)c1)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001313756587 1071099882 /nfs/dbraw/zinc/09/98/82/1071099882.db2.gz SSDLPAGJFIMFOC-OAQYLSRUSA-N 1 1 451.619 3.718 20 0 JHADMO 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CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)c1C(F)(F)F ZINC001310117286 1071130466 /nfs/dbraw/zinc/13/04/66/1071130466.db2.gz YAEBNCAPPWMCMG-UHFFFAOYSA-N 1 1 453.465 3.626 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001313775332 1071131062 /nfs/dbraw/zinc/13/10/62/1071131062.db2.gz FUFCVCVQJOWXKS-LEWJYISDSA-N 1 1 492.462 3.560 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C)c(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001313781700 1071146196 /nfs/dbraw/zinc/14/61/96/1071146196.db2.gz DMVCYRGCOHVKGL-QHCPKHFHSA-N 1 1 471.646 3.590 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C)c(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001313781700 1071146204 /nfs/dbraw/zinc/14/62/04/1071146204.db2.gz DMVCYRGCOHVKGL-QHCPKHFHSA-N 1 1 471.646 3.590 20 0 JHADMO CN(CCc1ccc(Br)cc1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314827986 1071154695 /nfs/dbraw/zinc/15/46/95/1071154695.db2.gz RKHKUJHTEXXCBB-UHFFFAOYSA-N 1 1 499.457 3.892 20 0 JHADMO 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ZINC001313865832 1071394141 /nfs/dbraw/zinc/39/41/41/1071394141.db2.gz YHOCHHGORWTULS-XFAGBWLFSA-N 1 1 476.691 3.554 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313867540 1071399832 /nfs/dbraw/zinc/39/98/32/1071399832.db2.gz JUWYNEKMWJLKDP-RZUBCFFCSA-N 1 1 478.607 3.866 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313866983 1071397349 /nfs/dbraw/zinc/39/73/49/1071397349.db2.gz HWVVVIZQTQWAPI-MSOLQXFVSA-N 1 1 485.583 3.767 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313867153 1071398307 /nfs/dbraw/zinc/39/83/07/1071398307.db2.gz LZFAWCWQUUHSGT-RBUKOAKNSA-N 1 1 489.686 3.793 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867163 1071398734 /nfs/dbraw/zinc/39/87/34/1071398734.db2.gz MEZSNJJBAQDXRK-DLBZAZTESA-N 1 1 474.535 3.785 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@H]1C 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ZINC001313874171 1071427969 /nfs/dbraw/zinc/42/79/69/1071427969.db2.gz GJXGYJSSPYDBMC-ZWKOTPCHSA-N 1 1 458.010 3.520 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873435 1071424659 /nfs/dbraw/zinc/42/46/59/1071424659.db2.gz ZTLKEBQUMIFSOU-OALUTQOASA-N 1 1 459.635 3.944 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313874132 1071427248 /nfs/dbraw/zinc/42/72/48/1071427248.db2.gz MWDTXZKPUXMVSN-DLBZAZTESA-N 1 1 488.608 3.558 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)cc1)C[C@H]1CCCCO1 ZINC001310490349 1071428507 /nfs/dbraw/zinc/42/85/07/1071428507.db2.gz OCCOOELRCWLLPE-JOCHJYFZSA-N 1 1 451.633 3.507 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874740 1071430275 /nfs/dbraw/zinc/43/02/75/1071430275.db2.gz JVQADUFSPKBYIC-OALUTQOASA-N 1 1 474.675 3.538 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875123 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/nfs/dbraw/zinc/47/93/94/1071479394.db2.gz JLIBKCABKXYTNO-VQTJNVASSA-N 1 1 484.645 3.647 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001313889214 1071479420 /nfs/dbraw/zinc/47/94/20/1071479420.db2.gz HKKLBWMBPYLDPO-FCHUYYIVSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313889380 1071480122 /nfs/dbraw/zinc/48/01/22/1071480122.db2.gz HTWDXPFMISGSSA-PKTZIBPZSA-N 1 1 496.700 3.884 20 0 JHADMO 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 1071481367 /nfs/dbraw/zinc/48/13/67/1071481367.db2.gz YDAGUGGDRUBLLZ-HSALFYBXSA-N 1 1 462.683 3.948 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)C1 ZINC001313890775 1071483275 /nfs/dbraw/zinc/48/32/75/1071483275.db2.gz PNECYGVUVSNKNY-RLLQIKCJSA-N 1 1 458.607 3.620 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001313891185 1071484666 /nfs/dbraw/zinc/48/46/66/1071484666.db2.gz UIJGQMRXNVEYAJ-IBGZPJMESA-N 1 1 498.569 3.530 20 0 JHADMO CNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001314982445 1071486298 /nfs/dbraw/zinc/48/62/98/1071486298.db2.gz RVICKBZMSZLILW-OYRHEFFESA-N 1 1 496.700 3.600 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001313891979 1071486368 /nfs/dbraw/zinc/48/63/68/1071486368.db2.gz JBSGZPWUULCRMW-PUHATCMVSA-N 1 1 455.647 3.838 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313893995 1071491710 /nfs/dbraw/zinc/49/17/10/1071491710.db2.gz RQAZLJHWRGMOCS-RTWAWAEBSA-N 1 1 486.636 3.736 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001313892464 1071487681 /nfs/dbraw/zinc/48/76/81/1071487681.db2.gz YMIYNVKPYOPHSR-NRFANRHFSA-N 1 1 466.674 3.889 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313894017 1071491782 /nfs/dbraw/zinc/49/17/82/1071491782.db2.gz RVNCBQHQUYVQMC-AZUAARDMSA-N 1 1 472.609 3.523 20 0 JHADMO 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 1071491871 /nfs/dbraw/zinc/49/18/71/1071491871.db2.gz QBEOZINQHOFRJW-FNAHDJPLSA-N 1 1 490.693 3.596 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313893341 1071489371 /nfs/dbraw/zinc/48/93/71/1071489371.db2.gz DBRZUAWTBZYNRQ-HOJAQTOUSA-N 1 1 474.675 3.622 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001313893749 1071491032 /nfs/dbraw/zinc/49/10/32/1071491032.db2.gz PNGCZDUWUJRKED-FQEVSTJZSA-N 1 1 474.053 3.713 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001313894248 1071492570 /nfs/dbraw/zinc/49/25/70/1071492570.db2.gz VADUEEHQDDXDQT-BRWVUGGUSA-N 1 1 478.435 3.814 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001313894272 1071493259 /nfs/dbraw/zinc/49/32/59/1071493259.db2.gz RRLOHNBSZPFIQB-ZWKOTPCHSA-N 1 1 452.525 3.538 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001313894270 1071493560 /nfs/dbraw/zinc/49/35/60/1071493560.db2.gz RRLOHNBSZPFIQB-QZTJIDSGSA-N 1 1 452.525 3.538 20 0 JHADMO 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 1071493888 /nfs/dbraw/zinc/49/38/88/1071493888.db2.gz OZCHLKCYOHHUPV-XSDIEEQYSA-N 1 1 486.636 3.640 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001313894896 1071494864 /nfs/dbraw/zinc/49/48/64/1071494864.db2.gz DYTRQFAIYIEKNK-GDBMZVCRSA-N 1 1 496.837 3.845 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313895406 1071497208 /nfs/dbraw/zinc/49/72/08/1071497208.db2.gz HXVYFGWJPUKXJK-SFTDATJTSA-N 1 1 492.462 3.824 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313895403 1071497288 /nfs/dbraw/zinc/49/72/88/1071497288.db2.gz HXVYFGWJPUKXJK-LEWJYISDSA-N 1 1 492.462 3.824 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314987156 1071498190 /nfs/dbraw/zinc/49/81/90/1071498190.db2.gz AFHAZGCMYYIJDJ-UNMCSNQZSA-N 1 1 454.663 3.740 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313896334 1071499439 /nfs/dbraw/zinc/49/94/39/1071499439.db2.gz NUHORTXYIZZDDY-HXUWFJFHSA-N 1 1 494.640 3.952 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313896366 1071499524 /nfs/dbraw/zinc/49/95/24/1071499524.db2.gz OGOWMLNQMGJCTF-SXLOBPIMSA-N 1 1 492.462 3.740 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001313896591 1071500442 /nfs/dbraw/zinc/50/04/42/1071500442.db2.gz GPPIXQGYLOZTCE-DNVJHFABSA-N 1 1 468.646 3.505 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 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ZINC001313900148 1071508948 /nfs/dbraw/zinc/50/89/48/1071508948.db2.gz NGFYWKYVTDZKPF-QHCPKHFHSA-N 1 1 460.711 3.680 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001313900148 1071508965 /nfs/dbraw/zinc/50/89/65/1071508965.db2.gz NGFYWKYVTDZKPF-QHCPKHFHSA-N 1 1 460.711 3.680 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313899189 1071507427 /nfs/dbraw/zinc/50/74/27/1071507427.db2.gz GSOSBWDXEXCKMO-QFUCXCTJSA-N 1 1 481.563 3.712 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313899188 1071507450 /nfs/dbraw/zinc/50/74/50/1071507450.db2.gz GSOSBWDXEXCKMO-FBBABVLZSA-N 1 1 481.563 3.712 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001313900966 1071510455 /nfs/dbraw/zinc/51/04/55/1071510455.db2.gz TTWZYTJTIYRBBT-QHCPKHFHSA-N 1 1 468.690 3.990 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313901482 1071511798 /nfs/dbraw/zinc/51/17/98/1071511798.db2.gz RIKDIDUSTHAFBB-IPELMVKDSA-N 1 1 455.500 3.648 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313901989 1071512480 /nfs/dbraw/zinc/51/24/80/1071512480.db2.gz VOJOZLSHPUNNCK-CTNGQTDRSA-N 1 1 494.606 3.629 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313903065 1071514667 /nfs/dbraw/zinc/51/46/67/1071514667.db2.gz LMFPOIHUSRPARO-XMMPIXPASA-N 1 1 482.673 3.852 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902967 1071513936 /nfs/dbraw/zinc/51/39/36/1071513936.db2.gz AZPNNYLENJISDO-RPWUZVMVSA-N 1 1 498.672 3.653 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001313904747 1071520000 /nfs/dbraw/zinc/52/00/00/1071520000.db2.gz LMSYIUIWYAWKBN-NJYVYQBISA-N 1 1 451.656 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccccn1 ZINC001313904657 1071519281 /nfs/dbraw/zinc/51/92/81/1071519281.db2.gz KERLTUVZSMUJJP-OAQYLSRUSA-N 1 1 480.613 3.877 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906247 1071524079 /nfs/dbraw/zinc/52/40/79/1071524079.db2.gz VRLCKOZLLLDAQV-SLFFLAALSA-N 1 1 488.608 3.709 20 0 JHADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001313906449 1071524095 /nfs/dbraw/zinc/52/40/95/1071524095.db2.gz WGSZCRARZUMBFC-QWFCFKBJSA-N 1 1 498.093 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001313906449 1071524104 /nfs/dbraw/zinc/52/41/04/1071524104.db2.gz WGSZCRARZUMBFC-QWFCFKBJSA-N 1 1 498.093 3.815 20 0 JHADMO 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 1071525174 /nfs/dbraw/zinc/52/51/74/1071525174.db2.gz YCINFXZUGCYTAG-VWPQPMDRSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313905639 1071522124 /nfs/dbraw/zinc/52/21/24/1071522124.db2.gz PXBGPIFCBYFOKS-JAXLGGSGSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001313905827 1071522650 /nfs/dbraw/zinc/52/26/50/1071522650.db2.gz XZAQSRDCYLIDIH-GOSISDBHSA-N 1 1 456.392 3.618 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313905944 1071522808 /nfs/dbraw/zinc/52/28/08/1071522808.db2.gz WHTUFNYZUHWMEO-NBGIEHNGSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907158 1071526434 /nfs/dbraw/zinc/52/64/34/1071526434.db2.gz YREPQKFAYWOOET-VGSWGCGISA-N 1 1 496.450 3.795 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313907155 1071526672 /nfs/dbraw/zinc/52/66/72/1071526672.db2.gz YREPQKFAYWOOET-HTAPYJJXSA-N 1 1 496.450 3.795 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(C)on1 ZINC001313908792 1071531142 /nfs/dbraw/zinc/53/11/42/1071531142.db2.gz KHYCHPUWDQSPEH-QFIPXVFZSA-N 1 1 452.603 3.879 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910688 1071536347 /nfs/dbraw/zinc/53/63/47/1071536347.db2.gz FZCFSSHWCQXTOK-CVEARBPZSA-N 1 1 452.397 3.648 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313909096 1071531930 /nfs/dbraw/zinc/53/19/30/1071531930.db2.gz MXWWYNIVFQIHDN-QHCPKHFHSA-N 1 1 475.641 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313909239 1071532379 /nfs/dbraw/zinc/53/23/79/1071532379.db2.gz PZYWCJUBXQVLOY-XZOQPEGZSA-N 1 1 482.673 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313909542 1071533245 /nfs/dbraw/zinc/53/32/45/1071533245.db2.gz QAVOZYVPCKECDE-IRLDBZIGSA-N 1 1 455.647 3.950 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001313909958 1071533779 /nfs/dbraw/zinc/53/37/79/1071533779.db2.gz IOQUVFOSGCSNIK-LJQANCHMSA-N 1 1 455.994 3.908 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001313910033 1071533925 /nfs/dbraw/zinc/53/39/25/1071533925.db2.gz UMMLKIWKGMJRHH-FDDCHVKYSA-N 1 1 489.462 3.592 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCCSC ZINC001313909974 1071534104 /nfs/dbraw/zinc/53/41/04/1071534104.db2.gz IUCXHPRKHNXZRE-QGZVFWFLSA-N 1 1 455.632 3.658 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313910693 1071536625 /nfs/dbraw/zinc/53/66/25/1071536625.db2.gz FZCFSSHWCQXTOK-JKSUJKDBSA-N 1 1 452.397 3.648 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313910324 1071535004 /nfs/dbraw/zinc/53/50/04/1071535004.db2.gz VXUKAJFRKVWOED-XZOQPEGZSA-N 1 1 497.688 3.974 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313910279 1071535223 /nfs/dbraw/zinc/53/52/23/1071535223.db2.gz FLHDWFAKAWLNSO-HSZRJFAPSA-N 1 1 470.637 3.577 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313910585 1071535998 /nfs/dbraw/zinc/53/59/98/1071535998.db2.gz XCUCBWOOZDRONH-LEWJYISDSA-N 1 1 456.635 3.710 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCC[N@H+]2CC)CC1=O ZINC001313913152 1071541959 /nfs/dbraw/zinc/54/19/59/1071541959.db2.gz IZNNMSRUDOKOHM-SFHVURJKSA-N 1 1 463.001 3.671 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911764 1071538180 /nfs/dbraw/zinc/53/81/80/1071538180.db2.gz LULSFQYTFRYHTH-ICSRJNTNSA-N 1 1 499.603 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001313912308 1071539466 /nfs/dbraw/zinc/53/94/66/1071539466.db2.gz HIQIRAYWNNFLAO-JOCHJYFZSA-N 1 1 472.703 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912613 1071540468 /nfs/dbraw/zinc/54/04/68/1071540468.db2.gz VCRNRBDLYANMBB-PMACEKPBSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001313912704 1071540661 /nfs/dbraw/zinc/54/06/61/1071540661.db2.gz WVGQGPJGGNEZGR-HXUWFJFHSA-N 1 1 453.566 3.654 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914115 1071546110 /nfs/dbraw/zinc/54/61/10/1071546110.db2.gz RLLRUTDIPYFERA-FCHUYYIVSA-N 1 1 468.646 3.738 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315024194 1071546942 /nfs/dbraw/zinc/54/69/42/1071546942.db2.gz MENKZMIOQDLJNK-HXUWFJFHSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913602 1071543537 /nfs/dbraw/zinc/54/35/37/1071543537.db2.gz QCMYVGSBOBNUKC-IRLDBZIGSA-N 1 1 477.650 3.609 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313913710 1071544231 /nfs/dbraw/zinc/54/42/31/1071544231.db2.gz LIUFQLACIDACRI-UYAOXDASSA-N 1 1 498.569 3.943 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001315027387 1071553988 /nfs/dbraw/zinc/55/39/88/1071553988.db2.gz QMDCRFCIDQWGAB-MSOLQXFVSA-N 1 1 477.053 3.690 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001313920677 1071559373 /nfs/dbraw/zinc/55/93/73/1071559373.db2.gz LKFHJYROTWZACP-QFIPXVFZSA-N 1 1 453.679 3.664 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919712 1071557672 /nfs/dbraw/zinc/55/76/72/1071557672.db2.gz FMFGAIUGJWCAQY-RTBURBONSA-N 1 1 492.510 3.934 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001315031502 1071561080 /nfs/dbraw/zinc/56/10/80/1071561080.db2.gz OSJGDYVVGADGLZ-FQEVSTJZSA-N 1 1 496.681 3.727 20 0 JHADMO CNC(=O)CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCc2sccc2C1 ZINC001315031502 1071561088 /nfs/dbraw/zinc/56/10/88/1071561088.db2.gz OSJGDYVVGADGLZ-FQEVSTJZSA-N 1 1 496.681 3.727 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921663 1071562336 /nfs/dbraw/zinc/56/23/36/1071562336.db2.gz SGLWPSGZYKIECY-OXQOHEQNSA-N 1 1 467.431 3.522 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923920 1071568701 /nfs/dbraw/zinc/56/87/01/1071568701.db2.gz AVADEBNFYVMBNJ-VQTJNVASSA-N 1 1 452.603 3.770 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923952 1071568990 /nfs/dbraw/zinc/56/89/90/1071568990.db2.gz BFGNRCOLANGHNW-IBGZPJMESA-N 1 1 493.071 3.753 20 0 JHADMO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001313924720 1071571503 /nfs/dbraw/zinc/57/15/03/1071571503.db2.gz OEDFWXHIHWTRRX-HXUWFJFHSA-N 1 1 489.064 3.690 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313924809 1071572159 /nfs/dbraw/zinc/57/21/59/1071572159.db2.gz JCANUUFWULJOHN-NVQXNPDNSA-N 1 1 454.663 3.675 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924956 1071572174 /nfs/dbraw/zinc/57/21/74/1071572174.db2.gz KCZRNNGCXGCZOO-RTWAWAEBSA-N 1 1 463.630 3.572 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924957 1071572225 /nfs/dbraw/zinc/57/22/25/1071572225.db2.gz KCZRNNGCXGCZOO-SFTDATJTSA-N 1 1 463.630 3.572 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925238 1071572883 /nfs/dbraw/zinc/57/28/83/1071572883.db2.gz NVTZWLMVEOJQDX-PLXFJCCSSA-N 1 1 498.716 3.603 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927356 1071579811 /nfs/dbraw/zinc/57/98/11/1071579811.db2.gz JWMVXVZLZFFGTI-FGZHOGPDSA-N 1 1 454.638 3.827 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927419 1071579999 /nfs/dbraw/zinc/57/99/99/1071579999.db2.gz KRBARURYQVKBJD-WBADGQHESA-N 1 1 460.711 3.849 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313927759 1071581395 /nfs/dbraw/zinc/58/13/95/1071581395.db2.gz LUKPAQQIJKYCKG-ILBGXUMGSA-N 1 1 452.691 3.962 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928044 1071582574 /nfs/dbraw/zinc/58/25/74/1071582574.db2.gz NCDYPFZUKPLGOB-YADHBBJMSA-N 1 1 482.652 3.502 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313928677 1071584347 /nfs/dbraw/zinc/58/43/47/1071584347.db2.gz CGQIAZKQEKUAPV-UXHICEINSA-N 1 1 467.593 3.985 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@@H]2CCCO2)C[C@@H]1C ZINC001313929855 1071587830 /nfs/dbraw/zinc/58/78/30/1071587830.db2.gz ATCYNFPJZJHPDJ-IRXDYDNUSA-N 1 1 498.491 3.885 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313931771 1071592519 /nfs/dbraw/zinc/59/25/19/1071592519.db2.gz ZRUGUIBBBRWNIC-FSSWDIPSSA-N 1 1 456.704 3.534 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313931708 1071593247 /nfs/dbraw/zinc/59/32/47/1071593247.db2.gz SKZIWDOBHMKDRL-UNMCSNQZSA-N 1 1 482.673 3.824 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC001313931888 1071593301 /nfs/dbraw/zinc/59/33/01/1071593301.db2.gz SRFKFUCSHCMOJW-ZWKOTPCHSA-N 1 1 464.680 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@@H]2CCOC2)C[C@@H]1C ZINC001313934904 1071603595 /nfs/dbraw/zinc/60/35/95/1071603595.db2.gz DCNSXEYYTHBFEZ-DLBZAZTESA-N 1 1 478.435 3.673 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313934492 1071602368 /nfs/dbraw/zinc/60/23/68/1071602368.db2.gz AJPZHRMOIFIGPF-LJQANCHMSA-N 1 1 464.614 3.866 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313934594 1071603101 /nfs/dbraw/zinc/60/31/01/1071603101.db2.gz SBSDXJKPUPWEAS-OAHLLOKOSA-N 1 1 476.494 3.571 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934986 1071604363 /nfs/dbraw/zinc/60/43/63/1071604363.db2.gz UKJKECHEHKZOTF-HYBUGGRVSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313934952 1071604388 /nfs/dbraw/zinc/60/43/88/1071604388.db2.gz DUQCUXUAYPAKLI-OAHLLOKOSA-N 1 1 495.937 3.908 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC001313935224 1071605307 /nfs/dbraw/zinc/60/53/07/1071605307.db2.gz GAXOAZFFIPYWHY-FUHWJXTLSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001313935873 1071607283 /nfs/dbraw/zinc/60/72/83/1071607283.db2.gz JYQOWSIQFKPVCX-SELNLUPBSA-N 1 1 457.619 3.554 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC001313936772 1071608542 /nfs/dbraw/zinc/60/85/42/1071608542.db2.gz PYVJIKQLBZWQKV-WIYYLYMNSA-N 1 1 455.006 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313936500 1071608606 /nfs/dbraw/zinc/60/86/06/1071608606.db2.gz PBOSWFUQTUGLLL-IBGZPJMESA-N 1 1 459.635 3.822 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001313937096 1071610134 /nfs/dbraw/zinc/61/01/34/1071610134.db2.gz SFVQKULRXLAFOP-IRXDYDNUSA-N 1 1 456.616 3.753 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313936690 1071609120 /nfs/dbraw/zinc/60/91/20/1071609120.db2.gz ADOIYCQOTFXXAP-IBGZPJMESA-N 1 1 471.650 3.954 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313937297 1071610207 /nfs/dbraw/zinc/61/02/07/1071610207.db2.gz DVSPPJCZMLHWTL-JXFKEZNVSA-N 1 1 464.536 3.935 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2[C@@H]2C[C@H]2CF)C[C@H]1C ZINC001313937453 1071610969 /nfs/dbraw/zinc/61/09/69/1071610969.db2.gz UODQKZVVCVKAKS-UKPHBRMFSA-N 1 1 452.372 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001313939464 1071613356 /nfs/dbraw/zinc/61/33/56/1071613356.db2.gz BCVFTAOHRQVIRG-INIZCTEOSA-N 1 1 462.436 3.775 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001313940503 1071614770 /nfs/dbraw/zinc/61/47/70/1071614770.db2.gz MRSSWMSKTWURCY-QGZVFWFLSA-N 1 1 485.430 3.614 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940467 1071614877 /nfs/dbraw/zinc/61/48/77/1071614877.db2.gz MCAYEBYWJSHVIZ-VQIMIIECSA-N 1 1 459.689 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313941052 1071616201 /nfs/dbraw/zinc/61/62/01/1071616201.db2.gz RWXITXLSWPPRII-GOSISDBHSA-N 1 1 478.483 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313942024 1071619076 /nfs/dbraw/zinc/61/90/76/1071619076.db2.gz GYQCPDDAFZWONT-HFZDXXHNSA-N 1 1 455.647 3.946 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942350 1071619639 /nfs/dbraw/zinc/61/96/39/1071619639.db2.gz PQZFXRAEESVDQF-PXNSSMCTSA-N 1 1 477.535 3.629 20 0 JHADMO 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 1071621395 /nfs/dbraw/zinc/62/13/95/1071621395.db2.gz MNOKAAURBVXWQL-NRSPTQNISA-N 1 1 484.645 3.636 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313944928 1071625740 /nfs/dbraw/zinc/62/57/40/1071625740.db2.gz JRCDWOLXQAZITF-FPOVZHCZSA-N 1 1 460.692 3.840 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313946568 1071629277 /nfs/dbraw/zinc/62/92/77/1071629277.db2.gz BLFUUDQTJPNXOW-ISKFKSNPSA-N 1 1 486.730 3.766 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629343 /nfs/dbraw/zinc/62/93/43/1071629343.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 1 1 454.663 3.528 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629348 /nfs/dbraw/zinc/62/93/48/1071629348.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 1 1 454.663 3.528 20 0 JHADMO CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634090 /nfs/dbraw/zinc/63/40/90/1071634090.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001313946710 1071629816 /nfs/dbraw/zinc/62/98/16/1071629816.db2.gz FCXNSAVMTRNQPD-JOCHJYFZSA-N 1 1 456.704 3.771 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634096 /nfs/dbraw/zinc/63/40/96/1071634096.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 1 1 458.676 3.594 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634098 /nfs/dbraw/zinc/63/40/98/1071634098.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 1 1 458.676 3.594 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC001313947422 1071631767 /nfs/dbraw/zinc/63/17/67/1071631767.db2.gz HCIFTFBFNFHNOW-MSOLQXFVSA-N 1 1 486.642 3.608 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632679 /nfs/dbraw/zinc/63/26/79/1071632679.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 1 1 454.663 3.530 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632690 /nfs/dbraw/zinc/63/26/90/1071632690.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 1 1 454.663 3.530 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634083 /nfs/dbraw/zinc/63/40/83/1071634083.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 1 1 458.676 3.594 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC001313950709 1071639440 /nfs/dbraw/zinc/63/94/40/1071639440.db2.gz QDVGLQWVDMKKMG-BBTUJRGHSA-N 1 1 457.494 3.695 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313949105 1071635224 /nfs/dbraw/zinc/63/52/24/1071635224.db2.gz HQLGZCFDTFUJAJ-XUVXKRRUSA-N 1 1 476.616 3.912 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313950235 1071637553 /nfs/dbraw/zinc/63/75/53/1071637553.db2.gz RTKJGKZXSZDBFT-IBGZPJMESA-N 1 1 498.569 3.801 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950555 1071638741 /nfs/dbraw/zinc/63/87/41/1071638741.db2.gz VNVPZFHWMWOIBN-NHCUHLMSSA-N 1 1 491.775 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950664 1071639295 /nfs/dbraw/zinc/63/92/95/1071639295.db2.gz BUFKIKOQXBYWTB-CVDCTZTESA-N 1 1 490.643 3.705 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313951115 1071640624 /nfs/dbraw/zinc/64/06/24/1071640624.db2.gz ZJEIJRNAFAZHCV-INIZCTEOSA-N 1 1 458.607 3.843 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313951247 1071641144 /nfs/dbraw/zinc/64/11/44/1071641144.db2.gz SCNKVBSQARKDHL-GOSISDBHSA-N 1 1 475.479 3.970 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313952505 1071645908 /nfs/dbraw/zinc/64/59/08/1071645908.db2.gz FNVCFSGYAVUYQE-SIKLNZKXSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952620 1071646502 /nfs/dbraw/zinc/64/65/02/1071646502.db2.gz GWTNOCGYXQAGSQ-HXUWFJFHSA-N 1 1 498.075 3.912 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953722 1071649581 /nfs/dbraw/zinc/64/95/81/1071649581.db2.gz IOJITHWMUNJDJD-TXRXYBTHSA-N 1 1 488.746 3.928 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CC(F)(F)F)CC1 ZINC001313953765 1071650032 /nfs/dbraw/zinc/65/00/32/1071650032.db2.gz KYLLDBNQZQHOGQ-KRWDZBQOSA-N 1 1 463.552 3.699 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001313953759 1071650077 /nfs/dbraw/zinc/65/00/77/1071650077.db2.gz KSZZRFUGWYPXCD-JTAQYXEDSA-N 1 1 475.081 3.733 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954572 1071651746 /nfs/dbraw/zinc/65/17/46/1071651746.db2.gz BXOGHWDAHNKYQA-PMACEKPBSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313955171 1071654737 /nfs/dbraw/zinc/65/47/37/1071654737.db2.gz TVVFWZUFZDIVSF-SFHVURJKSA-N 1 1 481.472 3.895 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955167 1071654876 /nfs/dbraw/zinc/65/48/76/1071654876.db2.gz FVZVQVHKUGHKKN-RPWUZVMVSA-N 1 1 498.716 3.751 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313955591 1071656016 /nfs/dbraw/zinc/65/60/16/1071656016.db2.gz SZUUGTCAZZDHAK-RBUKOAKNSA-N 1 1 463.095 3.814 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CC=C(C)CC2)CC1 ZINC001313955600 1071656236 /nfs/dbraw/zinc/65/62/36/1071656236.db2.gz XENPWEFHJRHILL-UHFFFAOYSA-N 1 1 468.646 3.536 20 0 JHADMO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(CC)CC1 ZINC001313956962 1071658711 /nfs/dbraw/zinc/65/87/11/1071658711.db2.gz OHBDVPRCBWXFES-UHFFFAOYSA-N 1 1 494.688 3.570 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313957264 1071659963 /nfs/dbraw/zinc/65/99/63/1071659963.db2.gz QEJKKQXDAPULGA-IBGZPJMESA-N 1 1 462.733 3.536 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313957901 1071661806 /nfs/dbraw/zinc/66/18/06/1071661806.db2.gz RYPYDNSLZSZJET-IBGZPJMESA-N 1 1 460.617 3.591 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC2CCC2)CC1 ZINC001313957991 1071661897 /nfs/dbraw/zinc/66/18/97/1071661897.db2.gz MCJYGNPKIKBCNP-UHFFFAOYSA-N 1 1 461.054 3.871 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957936 1071661922 /nfs/dbraw/zinc/66/19/22/1071661922.db2.gz SKKQYDTUBHQTDX-SLFFLAALSA-N 1 1 460.617 3.513 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)CC1 ZINC001313958575 1071664042 /nfs/dbraw/zinc/66/40/42/1071664042.db2.gz VUKYFNTVQGQWOO-UHFFFAOYSA-N 1 1 465.465 3.563 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313959982 1071668695 /nfs/dbraw/zinc/66/86/95/1071668695.db2.gz DBRBRYQVGFODEG-QFIPXVFZSA-N 1 1 472.703 3.522 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001313959055 1071665763 /nfs/dbraw/zinc/66/57/63/1071665763.db2.gz ZAQBEXBZGPEGIQ-SFHVURJKSA-N 1 1 470.559 3.670 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313959727 1071667543 /nfs/dbraw/zinc/66/75/43/1071667543.db2.gz CBFOUAULOCYYRX-HSZRJFAPSA-N 1 1 484.689 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313961517 1071672862 /nfs/dbraw/zinc/67/28/62/1071672862.db2.gz UAFRCXBKRCSZQS-VXKWHMMOSA-N 1 1 456.704 3.999 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)C)c2ccccc2c1=O ZINC001313968019 1071691004 /nfs/dbraw/zinc/69/10/04/1071691004.db2.gz VKCPEDNBXSREBN-UHFFFAOYSA-N 1 1 451.619 3.642 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313974077 1071701855 /nfs/dbraw/zinc/70/18/55/1071701855.db2.gz OLVGFWDPYPTBSL-REWPJTCUSA-N 1 1 466.674 3.882 20 0 JHADMO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001313981647 1071718062 /nfs/dbraw/zinc/71/80/62/1071718062.db2.gz HCICAAOTBYQSAX-MOPGFXCFSA-N 1 1 466.655 3.647 20 0 JHADMO CCNC(=O)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001313985349 1071723111 /nfs/dbraw/zinc/72/31/11/1071723111.db2.gz ZGNMSMHZJLXYLL-UHFFFAOYSA-N 1 1 475.641 3.757 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001313993784 1071728251 /nfs/dbraw/zinc/72/82/51/1071728251.db2.gz NWGYKTFURBXTJA-GOTSBHOMSA-N 1 1 467.662 3.546 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001313994565 1071730036 /nfs/dbraw/zinc/73/00/36/1071730036.db2.gz QBOLQBUKCQSHIW-JOCHJYFZSA-N 1 1 467.662 3.578 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001313995003 1071730838 /nfs/dbraw/zinc/73/08/38/1071730838.db2.gz LBXHWLRJUKTQCI-NZQKXSOJSA-N 1 1 467.662 3.554 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313999689 1071736417 /nfs/dbraw/zinc/73/64/17/1071736417.db2.gz PVUWRQFIIMWOTQ-QHCPKHFHSA-N 1 1 497.688 3.672 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC001314010000 1071746229 /nfs/dbraw/zinc/74/62/29/1071746229.db2.gz YSEKXDUEXTVDJZ-SFHVURJKSA-N 1 1 480.617 3.786 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001314013984 1071752504 /nfs/dbraw/zinc/75/25/04/1071752504.db2.gz KCLKEHNLKZPVQT-UHFFFAOYSA-N 1 1 458.607 3.778 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314016709 1071759641 /nfs/dbraw/zinc/75/96/41/1071759641.db2.gz QPIBILUEZQXHEA-HSZRJFAPSA-N 1 1 468.646 3.808 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314022756 1071776978 /nfs/dbraw/zinc/77/69/78/1071776978.db2.gz PNCDSPRGHIEXCJ-JOCHJYFZSA-N 1 1 460.667 3.657 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023663 1071779776 /nfs/dbraw/zinc/77/97/76/1071779776.db2.gz ULAHFBBKIARHFF-HXUWFJFHSA-N 1 1 460.667 3.800 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314029801 1071799885 /nfs/dbraw/zinc/79/98/85/1071799885.db2.gz DJJHWCHOIINHTD-NHCUHLMSSA-N 1 1 471.650 3.653 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001314031512 1071806097 /nfs/dbraw/zinc/80/60/97/1071806097.db2.gz ZFRFKFGJEJJHSO-FCEUIQTBSA-N 1 1 484.645 3.787 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001314038920 1071836340 /nfs/dbraw/zinc/83/63/40/1071836340.db2.gz ZEWOPMGNOPELSA-AQNXPRMDSA-N 1 1 488.608 3.756 20 0 JHADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001314042649 1071849595 /nfs/dbraw/zinc/84/95/95/1071849595.db2.gz WRNFNMCXBBVMEF-OAQYLSRUSA-N 1 1 474.694 3.810 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314044149 1071855169 /nfs/dbraw/zinc/85/51/69/1071855169.db2.gz RAWZQGIZTIHEBO-OFNKIYASSA-N 1 1 498.672 3.921 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001314045102 1071858640 /nfs/dbraw/zinc/85/86/40/1071858640.db2.gz YMYJYNHPLLFFPD-FGZHOGPDSA-N 1 1 484.645 3.673 20 0 JHADMO CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001314056093 1071884115 /nfs/dbraw/zinc/88/41/15/1071884115.db2.gz VPFCUJMXIDDVIT-PUHATCMVSA-N 1 1 471.646 3.528 20 0 JHADMO CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001314062765 1071902369 /nfs/dbraw/zinc/90/23/69/1071902369.db2.gz MBPBYOABSWAIQW-HKUYNNGSSA-N 1 1 468.606 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC001314075324 1071931799 /nfs/dbraw/zinc/93/17/99/1071931799.db2.gz RAWNTQQPCDQLHJ-VAPDBKPJSA-N 1 1 489.636 3.624 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[C@H](SCC)C3)n2C[C@@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314077976 1071937106 /nfs/dbraw/zinc/93/71/06/1071937106.db2.gz CNVANPLSUIOZOI-MDAIXWLXSA-N 1 1 465.708 3.915 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314083713 1071949537 /nfs/dbraw/zinc/94/95/37/1071949537.db2.gz SESIABZXOKTXDY-WZOHSFFVSA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314085601 1071954638 /nfs/dbraw/zinc/95/46/38/1071954638.db2.gz PRARWHCHALGJAH-XHNVNVPESA-N 1 1 477.600 3.965 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+]2CCCC[C@@H]2CC)CCOC1 ZINC001314125217 1072031122 /nfs/dbraw/zinc/03/11/22/1072031122.db2.gz VCXMNBDYLXZHLH-FTBPSBKWSA-N 1 1 463.667 3.590 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCC(C)(F)F)CCOC1 ZINC001314133167 1072045196 /nfs/dbraw/zinc/04/51/96/1072045196.db2.gz ADGFTBPBGYHGIH-DVECYGJZSA-N 1 1 463.573 3.686 20 0 JHADMO CCO[C@]1(c2nnc(N3CCSC[C@H]3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314142164 1072056862 /nfs/dbraw/zinc/05/68/62/1072056862.db2.gz DVQRPGQFBYOAQM-OOICKAIWSA-N 1 1 465.708 3.630 20 0 JHADMO CCO[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314143734 1072059202 /nfs/dbraw/zinc/05/92/02/1072059202.db2.gz WOBILGBXDPGFHW-YIXXDRMTSA-N 1 1 485.673 3.682 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001305932352 1068232659 /nfs/dbraw/zinc/23/26/59/1068232659.db2.gz WBBRDGRTWFCYEV-FQEVSTJZSA-N 1 1 489.546 3.608 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001305933742 1068234561 /nfs/dbraw/zinc/23/45/61/1068234561.db2.gz PQJMQOJJUOIXMS-XMMPIXPASA-N 1 1 494.606 3.693 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[N@H+](C)[C@@H](C)CC)cc1 ZINC001305934638 1068235881 /nfs/dbraw/zinc/23/58/81/1068235881.db2.gz MJNLUUNPNSHVOV-FQEVSTJZSA-N 1 1 452.647 3.829 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(Cn4cncn4)CC3)n2CC[N@H+](C)[C@@H](C)CC)cc1 ZINC001305935813 1068237864 /nfs/dbraw/zinc/23/78/64/1068237864.db2.gz HXLQNQLVQLWJPK-FQEVSTJZSA-N 1 1 450.635 3.746 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CC(C)(C)OC)cc1 ZINC001305936560 1068238812 /nfs/dbraw/zinc/23/88/12/1068238812.db2.gz YFLFATPOICDRER-UHFFFAOYSA-N 1 1 468.690 3.927 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001305938695 1068245178 /nfs/dbraw/zinc/24/51/78/1068245178.db2.gz ASNYDYLABJKLFV-HHHXNRCGSA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305938695 1068245185 /nfs/dbraw/zinc/24/51/85/1068245185.db2.gz ASNYDYLABJKLFV-HHHXNRCGSA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305938695 1068245199 /nfs/dbraw/zinc/24/51/99/1068245199.db2.gz ASNYDYLABJKLFV-HHHXNRCGSA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+](C)[C@H](C)CC)cc1 ZINC001305941956 1068252524 /nfs/dbraw/zinc/25/25/24/1068252524.db2.gz PJCWQVHAGISJKS-KNQAVFIVSA-N 1 1 461.676 3.641 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001305945443 1068258813 /nfs/dbraw/zinc/25/88/13/1068258813.db2.gz LIQVDGWEQMRERT-UHFFFAOYSA-N 1 1 462.642 3.874 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001305947823 1068266559 /nfs/dbraw/zinc/26/65/59/1068266559.db2.gz MEXKAQWTUSFEKY-NRFANRHFSA-N 1 1 452.647 3.831 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2Cc2ccc(OC)nc2)cc1 ZINC001305948511 1068269483 /nfs/dbraw/zinc/26/94/83/1068269483.db2.gz AGYURJHBBVANSB-QHCPKHFHSA-N 1 1 464.614 3.506 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001305948620 1068269955 /nfs/dbraw/zinc/26/99/55/1068269955.db2.gz WMUDPHYJSNVDPS-PMACEKPBSA-N 1 1 452.647 3.683 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950228 1068272258 /nfs/dbraw/zinc/27/22/58/1068272258.db2.gz MRQPBIFIJQWSPB-NRFANRHFSA-N 1 1 454.663 3.539 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@@H]2CCC[C@H]2OC)cc1 ZINC001305951577 1068275404 /nfs/dbraw/zinc/27/54/04/1068275404.db2.gz WHCMJAPINUCCDB-RBZQAINGSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1c[nH]c2c1cccc2CC ZINC001305966727 1068300194 /nfs/dbraw/zinc/30/01/94/1068300194.db2.gz KKTBZAAMVOTCIK-UHFFFAOYSA-N 1 1 479.673 3.507 20 0 JHADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1c[nH]c2c1cccc2CC ZINC001305966727 1068300213 /nfs/dbraw/zinc/30/02/13/1068300213.db2.gz KKTBZAAMVOTCIK-UHFFFAOYSA-N 1 1 479.673 3.507 20 0 JHADMO CCc1ccccc1NC(=O)CN1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305975743 1068313526 /nfs/dbraw/zinc/31/35/26/1068313526.db2.gz ZTIBCJNPXYPQSU-QHCPKHFHSA-N 1 1 495.716 3.532 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305976288 1068315185 /nfs/dbraw/zinc/31/51/85/1068315185.db2.gz GWXOTELVHPKHNH-IBGZPJMESA-N 1 1 469.552 3.775 20 0 JHADMO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001305978289 1068319435 /nfs/dbraw/zinc/31/94/35/1068319435.db2.gz NSFDTHOKUVEUMM-BJKOFHAPSA-N 1 1 496.700 3.845 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1conc1COC ZINC001305980541 1068324010 /nfs/dbraw/zinc/32/40/10/1068324010.db2.gz CWNNERYWFNAWJA-RTBURBONSA-N 1 1 468.602 3.521 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305980949 1068324495 /nfs/dbraw/zinc/32/44/95/1068324495.db2.gz JVJPVXLDXZXLOD-GNMOFYLKSA-N 1 1 482.673 3.502 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCC(CC(=O)NC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305984295 1068332201 /nfs/dbraw/zinc/33/22/01/1068332201.db2.gz ZVZOTSZRYQTKGT-XMMPIXPASA-N 1 1 496.700 3.892 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC(F)(F)F ZINC001305987240 1068340808 /nfs/dbraw/zinc/34/08/08/1068340808.db2.gz GBXSBZAMKBSDMW-GOSISDBHSA-N 1 1 455.525 3.529 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305988434 1068345428 /nfs/dbraw/zinc/34/54/28/1068345428.db2.gz AHXBNQLWZWPARO-UXHICEINSA-N 1 1 473.687 3.861 20 0 JHADMO CCc1cnc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)s1 ZINC001305995728 1068359612 /nfs/dbraw/zinc/35/96/12/1068359612.db2.gz MTULZIOFLKWKAS-GOSISDBHSA-N 1 1 472.634 3.632 20 0 JHADMO CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C2)n1 ZINC001305999882 1068369641 /nfs/dbraw/zinc/36/96/41/1068369641.db2.gz GLNGUJMGHXLKQN-HXUWFJFHSA-N 1 1 473.735 3.906 20 0 JHADMO CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001305999882 1068369661 /nfs/dbraw/zinc/36/96/61/1068369661.db2.gz GLNGUJMGHXLKQN-HXUWFJFHSA-N 1 1 473.735 3.906 20 0 JHADMO CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001305999882 1068369673 /nfs/dbraw/zinc/36/96/73/1068369673.db2.gz GLNGUJMGHXLKQN-HXUWFJFHSA-N 1 1 473.735 3.906 20 0 JHADMO 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CCc1nnc(Cn2c(N3CC[NH+]([C@H](C)c4cccc(OC)c4)CC3)nnc2C(C)(C)C)s1 ZINC001306062518 1068501958 /nfs/dbraw/zinc/50/19/58/1068501958.db2.gz VEIMNTKAXVIISM-QGZVFWFLSA-N 1 1 469.659 3.930 20 0 JHADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001306072276 1068506184 /nfs/dbraw/zinc/50/61/84/1068506184.db2.gz KRWBUDBPLQMGSE-UHFFFAOYSA-N 1 1 455.525 3.582 20 0 JHADMO CCc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001306084582 1068512921 /nfs/dbraw/zinc/51/29/21/1068512921.db2.gz CMAITCHRVGZZJC-GJZGRUSLSA-N 1 1 452.003 3.538 20 0 JHADMO CCc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001306084582 1068512934 /nfs/dbraw/zinc/51/29/34/1068512934.db2.gz CMAITCHRVGZZJC-GJZGRUSLSA-N 1 1 452.003 3.538 20 0 JHADMO CCc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001306117259 1068524090 /nfs/dbraw/zinc/52/40/90/1068524090.db2.gz FVSYIVQPQYBBJC-GOSISDBHSA-N 1 1 466.552 3.604 20 0 JHADMO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001306117029 1068524320 /nfs/dbraw/zinc/52/43/20/1068524320.db2.gz AYYDBEHNNFTDMR-FGZHOGPDSA-N 1 1 458.695 3.828 20 0 JHADMO CCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001306119275 1068526989 /nfs/dbraw/zinc/52/69/89/1068526989.db2.gz ZJTKARPYHDJXTM-UHFFFAOYSA-N 1 1 460.026 3.618 20 0 JHADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001306120000 1068528569 /nfs/dbraw/zinc/52/85/69/1068528569.db2.gz LUVAFUQCOLYFOV-VXKWHMMOSA-N 1 1 466.674 3.802 20 0 JHADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001306121233 1068529935 /nfs/dbraw/zinc/52/99/35/1068529935.db2.gz WIAVOUQPXPSRTJ-UHFFFAOYSA-N 1 1 458.626 3.551 20 0 JHADMO CCc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001306128848 1068533332 /nfs/dbraw/zinc/53/33/32/1068533332.db2.gz QGPSNEQNFNGPNR-PZJWPPBQSA-N 1 1 464.580 3.826 20 0 JHADMO CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001306135668 1068538304 /nfs/dbraw/zinc/53/83/04/1068538304.db2.gz CQHNXWBCHDPPBN-HSALFYBXSA-N 1 1 459.610 3.773 20 0 JHADMO CCc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001306141745 1068543371 /nfs/dbraw/zinc/54/33/71/1068543371.db2.gz IZBOODBLKNUDPZ-UHFFFAOYSA-N 1 1 484.542 3.653 20 0 JHADMO CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001306142251 1068543923 /nfs/dbraw/zinc/54/39/23/1068543923.db2.gz PNXPMKUCRAIHPR-NRFANRHFSA-N 1 1 456.635 3.570 20 0 JHADMO CCc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306146229 1068549060 /nfs/dbraw/zinc/54/90/60/1068549060.db2.gz IOSQEOLEMMKHGK-OAQYLSRUSA-N 1 1 463.573 3.523 20 0 JHADMO CCc1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306154319 1068553074 /nfs/dbraw/zinc/55/30/74/1068553074.db2.gz HXAZTNDODVNLDE-FQEVSTJZSA-N 1 1 462.436 3.523 20 0 JHADMO 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 1068556733 /nfs/dbraw/zinc/55/67/33/1068556733.db2.gz WBBWGNNTATVPQK-QKNQBKEWSA-N 1 1 460.667 3.797 20 0 JHADMO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001306162570 1068558118 /nfs/dbraw/zinc/55/81/18/1068558118.db2.gz UZASQEGIESSVRM-IRFCIJBXSA-N 1 1 460.667 3.987 20 0 JHADMO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306179985 1068570610 /nfs/dbraw/zinc/57/06/10/1068570610.db2.gz KOFXDSBJHLUCRT-PSWAGMNNSA-N 1 1 480.701 3.880 20 0 JHADMO CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001306180125 1068571399 /nfs/dbraw/zinc/57/13/99/1068571399.db2.gz GVBGTEKFYHGLGE-UHFFFAOYSA-N 1 1 465.499 3.596 20 0 JHADMO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001306188025 1068579590 /nfs/dbraw/zinc/57/95/90/1068579590.db2.gz WVAGMQYLJRGJAP-VWNXMTODSA-N 1 1 481.689 3.725 20 0 JHADMO CCc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001306193241 1068584360 /nfs/dbraw/zinc/58/43/60/1068584360.db2.gz FECUHXNFOWVIFJ-UHFFFAOYSA-N 1 1 486.970 3.562 20 0 JHADMO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001306205806 1068596577 /nfs/dbraw/zinc/59/65/77/1068596577.db2.gz XJGFDWIGNIQCPJ-QHCPKHFHSA-N 1 1 495.716 3.873 20 0 JHADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001306208784 1068599638 /nfs/dbraw/zinc/59/96/38/1068599638.db2.gz HZOHWVSIGNWFNG-UHFFFAOYSA-N 1 1 452.603 3.594 20 0 JHADMO CCc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001306221955 1068609533 /nfs/dbraw/zinc/60/95/33/1068609533.db2.gz YYFSQCPGTPKQCA-UWJYYQICSA-N 1 1 466.001 3.712 20 0 JHADMO CCc1nnc(N[C@H](C)[C@@H](OC)c2ccccc2Cl)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001306228926 1068614413 /nfs/dbraw/zinc/61/44/13/1068614413.db2.gz ZFLHBGNWUSEACR-ODOSVJCGSA-N 1 1 480.078 3.890 20 0 JHADMO 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CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001306248585 1068658963 /nfs/dbraw/zinc/65/89/63/1068658963.db2.gz VYXTZEBEDZDHQS-QFIPXVFZSA-N 1 1 452.647 3.832 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+](C)CCOC ZINC001306265518 1068679472 /nfs/dbraw/zinc/67/94/72/1068679472.db2.gz WHNNMUUIIMSVFM-SJLPKXTDSA-N 1 1 467.456 3.639 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC[NH+]1CCOCC1 ZINC001306283874 1068700932 /nfs/dbraw/zinc/70/09/32/1068700932.db2.gz NJDOUSGFMNHPNA-AUSIDOKSSA-N 1 1 468.646 3.884 20 0 JHADMO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001306285398 1068703231 /nfs/dbraw/zinc/70/32/31/1068703231.db2.gz DZEAFEPFHUDODJ-OFNKIYASSA-N 1 1 454.663 3.852 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@@H+](C)CCOC ZINC001306285448 1068703451 /nfs/dbraw/zinc/70/34/51/1068703451.db2.gz FXGKJPBVOUERQO-DLBZAZTESA-N 1 1 480.451 3.919 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001306303608 1068720445 /nfs/dbraw/zinc/72/04/45/1068720445.db2.gz ZDYGIQAEYFDOGK-MBDNFAEBSA-N 1 1 490.693 3.943 20 0 JHADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)C1 ZINC001306308033 1068726510 /nfs/dbraw/zinc/72/65/10/1068726510.db2.gz DXMVTLJLYZIMTI-CZIOWHBQSA-N 1 1 453.967 3.705 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001306314561 1068733746 /nfs/dbraw/zinc/73/37/46/1068733746.db2.gz MFNDFGNHKVGSIG-QFIPXVFZSA-N 1 1 498.672 3.741 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306316805 1068736847 /nfs/dbraw/zinc/73/68/47/1068736847.db2.gz GVAYAWHKYTYSBK-YLJYHZDGSA-N 1 1 489.462 3.639 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001306317508 1068738156 /nfs/dbraw/zinc/73/81/56/1068738156.db2.gz JOXBUAUFOSABKR-GOTSBHOMSA-N 1 1 467.662 3.762 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001306317550 1068738295 /nfs/dbraw/zinc/73/82/95/1068738295.db2.gz KRTPVQGMMUESIK-XMMPIXPASA-N 1 1 452.647 3.523 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306317622 1068739232 /nfs/dbraw/zinc/73/92/32/1068739232.db2.gz AOMNZIAGHAHPLL-NRFANRHFSA-N 1 1 489.686 3.622 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317960 1068739860 /nfs/dbraw/zinc/73/98/60/1068739860.db2.gz CIUQNXPOOUATSA-HXUWFJFHSA-N 1 1 456.635 3.806 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@@H](C)C1 ZINC001306317983 1068740464 /nfs/dbraw/zinc/74/04/64/1068740464.db2.gz CKFPXPJNDQZCIJ-VQTJNVASSA-N 1 1 457.619 3.842 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001306318266 1068741238 /nfs/dbraw/zinc/74/12/38/1068741238.db2.gz FMWRKWQUBVRPDQ-NRFANRHFSA-N 1 1 450.587 3.955 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001306318612 1068742756 /nfs/dbraw/zinc/74/27/56/1068742756.db2.gz PBBOMNSKXDCMNP-UGKGYDQZSA-N 1 1 489.064 3.741 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306319355 1068744706 /nfs/dbraw/zinc/74/47/06/1068744706.db2.gz KPVGHZUZOKZCKR-FCHUYYIVSA-N 1 1 498.672 3.531 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001306319340 1068744795 /nfs/dbraw/zinc/74/47/95/1068744795.db2.gz KJVAJIPXSULDQD-QZTJIDSGSA-N 1 1 484.041 3.625 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 ZINC001306319600 1068745979 /nfs/dbraw/zinc/74/59/79/1068745979.db2.gz VAXFAWCONQUCND-HOTGVXAUSA-N 1 1 489.111 3.504 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001306319552 1068746102 /nfs/dbraw/zinc/74/61/02/1068746102.db2.gz UGECPAUYFLSVFM-WIYYLYMNSA-N 1 1 459.038 3.972 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001306320223 1068747941 /nfs/dbraw/zinc/74/79/41/1068747941.db2.gz RPGOZMRPRJZPDH-YQVWRLOYSA-N 1 1 454.541 3.704 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCC(=O)NC ZINC001306320791 1068749773 /nfs/dbraw/zinc/74/97/73/1068749773.db2.gz XCSBWNCYZVJWDN-INIZCTEOSA-N 1 1 497.507 3.996 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001306321047 1068750276 /nfs/dbraw/zinc/75/02/76/1068750276.db2.gz AQMPAIWFWIIWDO-QHAWAJNXSA-N 1 1 457.619 3.744 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001306321849 1068752209 /nfs/dbraw/zinc/75/22/09/1068752209.db2.gz DXCZNIIXWIRLKL-OAQYLSRUSA-N 1 1 485.702 3.605 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001306322688 1068754603 /nfs/dbraw/zinc/75/46/03/1068754603.db2.gz ILCCDLDXRKCFRF-NHCUHLMSSA-N 1 1 470.687 3.845 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001306322796 1068755145 /nfs/dbraw/zinc/75/51/45/1068755145.db2.gz HTSWNQZZJSMHEJ-QFIPXVFZSA-N 1 1 482.673 3.799 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001306323476 1068756394 /nfs/dbraw/zinc/75/63/94/1068756394.db2.gz LXFVDERPCPSNMR-IRLDBZIGSA-N 1 1 482.673 3.731 20 0 JHADMO 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 1068757863 /nfs/dbraw/zinc/75/78/63/1068757863.db2.gz NKTGKRRGVXVLEH-OLKYXYMISA-N 1 1 488.721 3.766 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306324043 1068758404 /nfs/dbraw/zinc/75/84/04/1068758404.db2.gz NBEKESJIFNWEGJ-RCZVLFRGSA-N 1 1 495.716 3.906 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001306324695 1068759844 /nfs/dbraw/zinc/75/98/44/1068759844.db2.gz UVUYPZMOYTUCLZ-CBPXPLCBSA-N 1 1 490.693 3.786 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306325314 1068761820 /nfs/dbraw/zinc/76/18/20/1068761820.db2.gz SOBCJOMXQGDUHU-HXUWFJFHSA-N 1 1 498.569 3.945 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306326444 1068764176 /nfs/dbraw/zinc/76/41/76/1068764176.db2.gz ZLJCHCAEPUNBAG-XXBNENTESA-N 1 1 473.065 3.844 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306326578 1068764906 /nfs/dbraw/zinc/76/49/06/1068764906.db2.gz ZUGOTWCJTBZBEA-ZODMCCGTSA-N 1 1 463.667 3.589 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001306337545 1068774270 /nfs/dbraw/zinc/77/42/70/1068774270.db2.gz QQPOLQFIBIILNS-XPNTWCBSSA-N 1 1 473.687 3.717 20 0 JHADMO CC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001306348427 1068785254 /nfs/dbraw/zinc/78/52/54/1068785254.db2.gz UDFRZRMMGJWZQG-UYAOXDASSA-N 1 1 462.589 3.951 20 0 JHADMO CC[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001306380660 1068811550 /nfs/dbraw/zinc/81/15/50/1068811550.db2.gz ARLNNJRIOBIZMA-QHAWAJNXSA-N 1 1 471.646 3.990 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCOc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001306387216 1068821459 /nfs/dbraw/zinc/82/14/59/1068821459.db2.gz OHPFKAASCMYQNZ-UTKZUKDTSA-N 1 1 480.028 3.994 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCc2ccc(C)c(OC)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001306388220 1068823899 /nfs/dbraw/zinc/82/38/99/1068823899.db2.gz IMCZDBAUONJORY-VXKWHMMOSA-N 1 1 455.647 3.682 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccccc2N2CCCCC2)CC[N@H+]1CCOC ZINC001306389190 1068825581 /nfs/dbraw/zinc/82/55/81/1068825581.db2.gz YQOGRZRKZLUKHS-QHCPKHFHSA-N 1 1 454.663 3.987 20 0 JHADMO CC[C@H](Cn1c(N2CCN(CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390417 1068829145 /nfs/dbraw/zinc/82/91/45/1068829145.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@H](Cn1c(N2CCN(CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390417 1068829164 /nfs/dbraw/zinc/82/91/64/1068829164.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 1 1 482.717 3.960 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001306391190 1068831241 /nfs/dbraw/zinc/83/12/41/1068831241.db2.gz LCAUPJOAJBCINF-VXKWHMMOSA-N 1 1 468.646 3.883 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001306395188 1068839055 /nfs/dbraw/zinc/83/90/55/1068839055.db2.gz PNMOLGFKBXHDFU-SVFBPWRDSA-N 1 1 478.037 3.655 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H](C)O1 ZINC001306395408 1068840269 /nfs/dbraw/zinc/84/02/69/1068840269.db2.gz BTOQNCOWTVWYFG-LZLYRXPVSA-N 1 1 465.440 3.534 20 0 JHADMO CC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2=CCCOC2)CC[N@H+]1CCOC ZINC001306395808 1068842025 /nfs/dbraw/zinc/84/20/25/1068842025.db2.gz SODCWIVFINGYMK-VWNXMTODSA-N 1 1 483.657 3.929 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)COC)CC[N@H+]1CCOC ZINC001306396482 1068844470 /nfs/dbraw/zinc/84/44/70/1068844470.db2.gz IKYFIUCUXQDJPR-PXNSSMCTSA-N 1 1 480.451 3.537 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)SC)CC[N@H+]1CCOC ZINC001306397140 1068846621 /nfs/dbraw/zinc/84/66/21/1068846621.db2.gz LTNQQFXONXMWNQ-QUCCMNQESA-N 1 1 469.659 3.634 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2Cl)CC[N@H+]1CCOC ZINC001306398922 1068852469 /nfs/dbraw/zinc/85/24/69/1068852469.db2.gz RXQONVBSPREIGH-PXDATVDWSA-N 1 1 492.064 3.567 20 0 JHADMO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2Cl)CC[N@H+]1CCOC ZINC001306398917 1068852607 /nfs/dbraw/zinc/85/26/07/1068852607.db2.gz RXQONVBSPREIGH-OFVILXPXSA-N 1 1 492.064 3.567 20 0 JHADMO CC[C@H]1CN(c2nnc(C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306400499 1068858719 /nfs/dbraw/zinc/85/87/19/1068858719.db2.gz NUGFDESAOCSOBR-ZEQRLZLVSA-N 1 1 498.672 3.597 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@H+]2C2CCCCC2)C[C@@H](C)O1 ZINC001306400948 1068859992 /nfs/dbraw/zinc/85/99/92/1068859992.db2.gz PBCNBNFVRKYTCJ-IRMYBRCSSA-N 1 1 463.667 3.803 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001306403720 1068867955 /nfs/dbraw/zinc/86/79/55/1068867955.db2.gz WMKRWWXSPHILCP-ICSRJNTNSA-N 1 1 463.573 3.936 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001306404041 1068868376 /nfs/dbraw/zinc/86/83/76/1068868376.db2.gz SXOQMNFJNYZGSN-APWZRJJASA-N 1 1 469.964 3.775 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001306405037 1068871196 /nfs/dbraw/zinc/87/11/96/1068871196.db2.gz XZARGGKLIHTAJD-NRFANRHFSA-N 1 1 473.021 3.993 20 0 JHADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC001306405068 1068871660 /nfs/dbraw/zinc/87/16/60/1068871660.db2.gz YEQCQTPOOIIFKT-TXTKFYIRSA-N 1 1 475.081 3.876 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC001306405116 1068871740 /nfs/dbraw/zinc/87/17/40/1068871740.db2.gz MGHAMYURJYEPMB-MJGOQNOKSA-N 1 1 462.436 3.973 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)[NH+](C)C)CCN1CCOC ZINC001306405627 1068874534 /nfs/dbraw/zinc/87/45/34/1068874534.db2.gz FMRKZTHSXQQXFU-SVFBPWRDSA-N 1 1 474.719 3.629 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C(C)C)CC[N@H+]1CCOC ZINC001306406640 1068877954 /nfs/dbraw/zinc/87/79/54/1068877954.db2.gz MYWMMDXSVHRJSJ-RTWAWAEBSA-N 1 1 494.478 3.926 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)CC(F)(F)F)CC[N@H+]1CCOC ZINC001306406625 1068878070 /nfs/dbraw/zinc/87/80/70/1068878070.db2.gz MPTUTULUQYPHOY-LJQANCHMSA-N 1 1 494.562 3.732 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCOC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306407469 1068882688 /nfs/dbraw/zinc/88/26/88/1068882688.db2.gz ZOGKJORYEYRJMU-NQIIRXRSSA-N 1 1 492.462 3.680 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001306407928 1068884334 /nfs/dbraw/zinc/88/43/34/1068884334.db2.gz FDHAKAXSQYEVOJ-RBUKOAKNSA-N 1 1 498.455 3.604 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCc2ccccn2)CC[N@H+]1CCOC ZINC001306408242 1068885066 /nfs/dbraw/zinc/88/50/66/1068885066.db2.gz IDAXEEHUBXFCHZ-JOCHJYFZSA-N 1 1 455.006 3.783 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001306408576 1068885905 /nfs/dbraw/zinc/88/59/05/1068885905.db2.gz KXNCRRYULUZNQE-QAPCUYQASA-N 1 1 478.435 3.814 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC[N@H+]1CCOC ZINC001306410236 1068890277 /nfs/dbraw/zinc/89/02/77/1068890277.db2.gz PSUMTWBOAAQSCV-SNYIIPAISA-N 1 1 462.038 3.697 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCOC2)CC[N@H+]1CCOC ZINC001306410360 1068891655 /nfs/dbraw/zinc/89/16/55/1068891655.db2.gz QLXPDLXJZPBDKZ-FQEVSTJZSA-N 1 1 476.021 3.501 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC001306411589 1068895077 /nfs/dbraw/zinc/89/50/77/1068895077.db2.gz VDSLJWXJKCXDKU-NRSPTQNISA-N 1 1 492.064 3.968 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC001306412195 1068895974 /nfs/dbraw/zinc/89/59/74/1068895974.db2.gz IIHIKIIDXNMQKS-VAMGGRTRSA-N 1 1 462.038 3.959 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@@H+](C)CCOC)CCS1 ZINC001306412633 1068897793 /nfs/dbraw/zinc/89/77/93/1068897793.db2.gz HLPIGEUUTHPPNK-KRWDZBQOSA-N 1 1 498.491 3.626 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306412685 1068898470 /nfs/dbraw/zinc/89/84/70/1068898470.db2.gz KLQUZNUFZMHWSZ-SEIBCYHCSA-N 1 1 473.637 3.818 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001306415800 1068903929 /nfs/dbraw/zinc/90/39/29/1068903929.db2.gz VVMKZRDSYLFDTC-LJQANCHMSA-N 1 1 471.005 3.597 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2cc[nH+]c2C)CCS1 ZINC001306417088 1068906484 /nfs/dbraw/zinc/90/64/84/1068906484.db2.gz UXYLJYWOMZWIFU-IBGZPJMESA-N 1 1 456.616 3.889 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001306417523 1068907896 /nfs/dbraw/zinc/90/78/96/1068907896.db2.gz LYXYBMBWIFKJLX-LJQANCHMSA-N 1 1 474.531 3.547 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC[C@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001306420213 1068912257 /nfs/dbraw/zinc/91/22/57/1068912257.db2.gz UODHETOEHINFDN-BHIFYINESA-N 1 1 471.646 3.706 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC001306424760 1068918495 /nfs/dbraw/zinc/91/84/95/1068918495.db2.gz QOUUBWUTNHYIGK-CQOQZXRMSA-N 1 1 470.662 3.647 20 0 JHADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCC[N@H+]2CC)CCO1 ZINC001306425926 1068920456 /nfs/dbraw/zinc/92/04/56/1068920456.db2.gz AENKJLVJFBJKQK-BHIFYINESA-N 1 1 490.693 3.882 20 0 JHADMO 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c1cncc(CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@H]3COC[C@H]32)c1 ZINC001164758711 721008566 /nfs/dbraw/zinc/00/85/66/721008566.db2.gz JMLFJQQQBAYGST-BHIFYINESA-N 1 1 491.661 3.981 20 0 JHADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)n1 ZINC001164861422 721033037 /nfs/dbraw/zinc/03/30/37/721033037.db2.gz HHYABCXTVCILBI-UHFFFAOYSA-N 1 1 484.633 3.924 20 0 JHADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862748 721033089 /nfs/dbraw/zinc/03/30/89/721033089.db2.gz PQFJKRPREQSOAX-UHFFFAOYSA-N 1 1 455.900 3.846 20 0 JHADMO c1nc2n(c1CN(c1ccccn1)c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164767470 721041384 /nfs/dbraw/zinc/04/13/84/721041384.db2.gz RYWIDIAKQLEILZ-UHFFFAOYSA-N 1 1 465.605 3.715 20 0 JHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868373 721061904 /nfs/dbraw/zinc/06/19/04/721061904.db2.gz OFTGRRDMJKYIRY-GOTSBHOMSA-N 1 1 477.996 3.540 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071668 /nfs/dbraw/zinc/07/16/68/721071668.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 1 1 455.606 3.515 20 0 JHADMO c1ccc(CN2CCc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071673 /nfs/dbraw/zinc/07/16/73/721071673.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 1 1 455.606 3.515 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@@H]3C2)cn1 ZINC001164768113 721134494 /nfs/dbraw/zinc/13/44/94/721134494.db2.gz NHAVGCQOIWPMQC-OALUTQOASA-N 1 1 468.964 3.818 20 0 JHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880662 721163298 /nfs/dbraw/zinc/16/32/98/721163298.db2.gz WURDUQDLFMYQDY-IZIIKQMZSA-N 1 1 469.948 3.799 20 0 JHADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880959 721184316 /nfs/dbraw/zinc/18/43/16/721184316.db2.gz YIJIKGZJBWPSEV-MSOLQXFVSA-N 1 1 455.921 3.936 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765652 721201102 /nfs/dbraw/zinc/20/11/02/721201102.db2.gz IBNBPHPHVGVBOO-VQTJNVASSA-N 1 1 471.634 3.934 20 0 JHADMO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nn3)cc-2n1 ZINC001164771055 721281372 /nfs/dbraw/zinc/28/13/72/721281372.db2.gz ZATRSOPUGRYAFJ-UHFFFAOYSA-N 1 1 469.568 3.949 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c(Cl)ccc4ccc(Cl)nc43)CC2)C1 ZINC001164879169 721290797 /nfs/dbraw/zinc/29/07/97/721290797.db2.gz VXTYFNRWNYAUPG-UHFFFAOYSA-N 1 1 451.398 3.549 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)C1 ZINC001164875909 721291526 /nfs/dbraw/zinc/29/15/26/721291526.db2.gz HXQVKTXGKNQSFU-UHFFFAOYSA-N 1 1 496.414 3.597 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776041 721331786 /nfs/dbraw/zinc/33/17/86/721331786.db2.gz CBOPRKFBARNJPB-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776041 721331791 /nfs/dbraw/zinc/33/17/91/721331791.db2.gz CBOPRKFBARNJPB-HSZRJFAPSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776047 721332390 /nfs/dbraw/zinc/33/23/90/721332390.db2.gz CBOPRKFBARNJPB-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776047 721332394 /nfs/dbraw/zinc/33/23/94/721332394.db2.gz CBOPRKFBARNJPB-QHCPKHFHSA-N 1 1 462.978 3.636 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)n1 ZINC001164882286 721344489 /nfs/dbraw/zinc/34/44/89/721344489.db2.gz CRUOLQWKGRISOI-UQBPGWFLSA-N 1 1 471.671 3.662 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3OCC[C@]3(C(=O)NCC3CC3)C2)n1 ZINC001164887791 721345160 /nfs/dbraw/zinc/34/51/60/721345160.db2.gz VOXUPTUCRLXDES-ZBLYBZFDSA-N 1 1 491.661 3.932 20 0 JHADMO COC(=O)c1cc2c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]c(Cl)cc-2n1 ZINC001164782251 721360855 /nfs/dbraw/zinc/36/08/55/721360855.db2.gz LPZQIIMBENTYEN-DEOSSOPVSA-N 1 1 487.988 3.727 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164786034 721362309 /nfs/dbraw/zinc/36/23/09/721362309.db2.gz UWCGGMDWSQKVQA-LJQANCHMSA-N 1 1 473.977 3.687 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164786034 721362312 /nfs/dbraw/zinc/36/23/12/721362312.db2.gz UWCGGMDWSQKVQA-LJQANCHMSA-N 1 1 473.977 3.687 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782205 721365391 /nfs/dbraw/zinc/36/53/91/721365391.db2.gz LBCWUZDHYNVCSU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782205 721365400 /nfs/dbraw/zinc/36/54/00/721365400.db2.gz LBCWUZDHYNVCSU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)n1 ZINC001164882179 721366314 /nfs/dbraw/zinc/36/63/14/721366314.db2.gz HETPRYLQQHBZKX-UXHICEINSA-N 1 1 483.613 3.910 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164786067 721366727 /nfs/dbraw/zinc/36/67/27/721366727.db2.gz VOHFUOMWLCQPSD-HHHXNRCGSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164786067 721366730 /nfs/dbraw/zinc/36/67/30/721366730.db2.gz VOHFUOMWLCQPSD-HHHXNRCGSA-N 1 1 481.641 3.678 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164787051 721367413 /nfs/dbraw/zinc/36/74/13/721367413.db2.gz XUZTWQYROLZHKY-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164787051 721367416 /nfs/dbraw/zinc/36/74/16/721367416.db2.gz XUZTWQYROLZHKY-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO COc1cc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc2c(OC)c1 ZINC001164780199 721373038 /nfs/dbraw/zinc/37/30/38/721373038.db2.gz FPGPOJACYITYFO-SANMLTNESA-N 1 1 466.582 3.976 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c32)C1 ZINC001164886143 721409629 /nfs/dbraw/zinc/40/96/29/721409629.db2.gz HVHQOUIBLKBXDM-MPCDZSKCSA-N 1 1 455.672 3.582 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883512 721411348 /nfs/dbraw/zinc/41/13/48/721411348.db2.gz AKOLSJORQHFIMO-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899863 721439835 /nfs/dbraw/zinc/43/98/35/721439835.db2.gz ZKPNEBOAGWFTCO-MBSDFSHPSA-N 1 1 493.002 3.502 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897565 721444877 /nfs/dbraw/zinc/44/48/77/721444877.db2.gz UFEJGGXPJGLRFH-CJFMBICVSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889619 721444911 /nfs/dbraw/zinc/44/49/11/721444911.db2.gz CJASXYHSXUOMJU-CLOONOSVSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892036 721451985 /nfs/dbraw/zinc/45/19/85/721451985.db2.gz VXSHAGGGTUIREG-CTNGQTDRSA-N 1 1 454.993 3.620 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)c2c1C ZINC001164888427 721458641 /nfs/dbraw/zinc/45/86/41/721458641.db2.gz MDPYRHOEAVPSNU-AABGKKOBSA-N 1 1 469.655 3.556 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164785824 721464762 /nfs/dbraw/zinc/46/47/62/721464762.db2.gz NTDVTSRRCVBBKZ-FQEVSTJZSA-N 1 1 455.647 3.989 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164789424 721465012 /nfs/dbraw/zinc/46/50/12/721465012.db2.gz MPKIJXYEMIRGIM-SFHVURJKSA-N 1 1 458.981 3.596 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164787194 721466962 /nfs/dbraw/zinc/46/69/62/721466962.db2.gz DFXWUAPNYFIDHY-QHCPKHFHSA-N 1 1 451.615 3.581 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164786273 721467839 /nfs/dbraw/zinc/46/78/39/721467839.db2.gz AIWKSTCFAJFNHU-HSZRJFAPSA-N 1 1 466.626 3.886 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3cn1)CC2 ZINC001164786681 721468333 /nfs/dbraw/zinc/46/83/33/721468333.db2.gz BYCJOCIJZQFQEG-QHCPKHFHSA-N 1 1 469.626 3.986 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164786685 721468565 /nfs/dbraw/zinc/46/85/65/721468565.db2.gz BYROVUSLZBEKQC-NRFANRHFSA-N 1 1 454.615 3.681 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164790631 721469249 /nfs/dbraw/zinc/46/92/49/721469249.db2.gz SWXVPFITYCVNGY-JOCHJYFZSA-N 1 1 469.630 3.989 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164790632 721469377 /nfs/dbraw/zinc/46/93/77/721469377.db2.gz SWXVPFITYCVNGY-QFIPXVFZSA-N 1 1 469.630 3.989 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164790595 721471507 /nfs/dbraw/zinc/47/15/07/721471507.db2.gz RTQHDULRJQQNJB-OAQYLSRUSA-N 1 1 469.626 3.986 20 0 JHADMO 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 721498504 /nfs/dbraw/zinc/49/85/04/721498504.db2.gz OJBVZEIXJFHNIL-FUCAVZNHSA-N 1 1 484.685 3.912 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900009 721515186 /nfs/dbraw/zinc/51/51/86/721515186.db2.gz NAPGALVHAQPGNN-FUHWJXTLSA-N 1 1 456.905 3.551 20 0 JHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[N@H+]3C2)c1 ZINC001164896944 721518214 /nfs/dbraw/zinc/51/82/14/721518214.db2.gz CSKSYQBPKKCFRN-UPVQGACJSA-N 1 1 459.569 3.516 20 0 JHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164908105 721529746 /nfs/dbraw/zinc/52/97/46/721529746.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 1 1 459.569 3.516 20 0 JHADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908829 721533834 /nfs/dbraw/zinc/53/38/34/721533834.db2.gz QRZPRYBEYMGEHM-GMAHTHKFSA-N 1 1 492.599 3.729 20 0 JHADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905208 721534248 /nfs/dbraw/zinc/53/42/48/721534248.db2.gz GQGWJOKSKOERPN-HKUYNNGSSA-N 1 1 464.969 3.553 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164805738 721541125 /nfs/dbraw/zinc/54/11/25/721541125.db2.gz NBTIMKOJLZAPRQ-IOASZLSFSA-N 1 1 480.787 3.643 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164805738 721541130 /nfs/dbraw/zinc/54/11/30/721541130.db2.gz NBTIMKOJLZAPRQ-IOASZLSFSA-N 1 1 480.787 3.643 20 0 JHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164909796 721542114 /nfs/dbraw/zinc/54/21/14/721542114.db2.gz RWRJUAXTQXXUID-QFBILLFUSA-N 1 1 459.884 3.937 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164810720 721542309 /nfs/dbraw/zinc/54/23/09/721542309.db2.gz YLBBANDUHUVQTF-XPNTWCBSSA-N 1 1 490.011 3.791 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164810720 721542313 /nfs/dbraw/zinc/54/23/13/721542313.db2.gz YLBBANDUHUVQTF-XPNTWCBSSA-N 1 1 490.011 3.791 20 0 JHADMO COc1cc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164810563 721545642 /nfs/dbraw/zinc/54/56/42/721545642.db2.gz XHMKQCNYEFSIKQ-XQBPLPMBSA-N 1 1 469.973 3.564 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911060 721552352 /nfs/dbraw/zinc/55/23/52/721552352.db2.gz YGZGUWDWJSPVDF-ZBFHGGJFSA-N 1 1 455.864 3.548 20 0 JHADMO CCOc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OCC ZINC001164809396 721555123 /nfs/dbraw/zinc/55/51/23/721555123.db2.gz WWEMMAWDRVGHSG-WRALFONMSA-N 1 1 463.582 3.690 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2cc1OC ZINC001164803997 721556751 /nfs/dbraw/zinc/55/67/51/721556751.db2.gz KMOUCVOCQQOSGR-DXIQSLLYSA-N 1 1 469.973 3.564 20 0 JHADMO COc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2cc1OC ZINC001164803997 721556753 /nfs/dbraw/zinc/55/67/53/721556753.db2.gz KMOUCVOCQQOSGR-DXIQSLLYSA-N 1 1 469.973 3.564 20 0 JHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@@H+]3C2)c1 ZINC001164904683 721562503 /nfs/dbraw/zinc/56/25/03/721562503.db2.gz FFALXDRIDZRBKS-RDJZCZTQSA-N 1 1 465.863 3.811 20 0 JHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@H+]3C2)c1 ZINC001164904683 721562508 /nfs/dbraw/zinc/56/25/08/721562508.db2.gz FFALXDRIDZRBKS-RDJZCZTQSA-N 1 1 465.863 3.811 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@@H+]3C2)c1 ZINC001164904685 721562948 /nfs/dbraw/zinc/56/29/48/721562948.db2.gz FFALXDRIDZRBKS-WBVHZDCISA-N 1 1 465.863 3.811 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC[N@H+]3C2)c1 ZINC001164904685 721562951 /nfs/dbraw/zinc/56/29/51/721562951.db2.gz FFALXDRIDZRBKS-WBVHZDCISA-N 1 1 465.863 3.811 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164810676 721570014 /nfs/dbraw/zinc/57/00/14/721570014.db2.gz ZTVVJBSVMGUDFB-PWRODBHTSA-N 1 1 475.927 3.971 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164810676 721570017 /nfs/dbraw/zinc/57/00/17/721570017.db2.gz ZTVVJBSVMGUDFB-PWRODBHTSA-N 1 1 475.927 3.971 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164808679 721573643 /nfs/dbraw/zinc/57/36/43/721573643.db2.gz VHIAESUAZWHBQH-SLFFLAALSA-N 1 1 480.943 3.720 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164808679 721573649 /nfs/dbraw/zinc/57/36/49/721573649.db2.gz VHIAESUAZWHBQH-SLFFLAALSA-N 1 1 480.943 3.720 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164809358 721606626 /nfs/dbraw/zinc/60/66/26/721606626.db2.gz ZZJHGTXMRDDSQX-GJZUVCINSA-N 1 1 450.631 3.861 20 0 JHADMO FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911237 721724372 /nfs/dbraw/zinc/72/43/72/721724372.db2.gz JETCNOAEGJIKHG-GOSISDBHSA-N 1 1 459.875 3.730 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912729 721726525 /nfs/dbraw/zinc/72/65/25/721726525.db2.gz PTNCHLJLJHELEN-QHCPKHFHSA-N 1 1 493.624 3.539 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164907878 721745255 /nfs/dbraw/zinc/74/52/55/721745255.db2.gz CGYUBRLGOSIOAT-UHFFFAOYSA-N 1 1 461.900 3.562 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164907878 721745257 /nfs/dbraw/zinc/74/52/57/721745257.db2.gz CGYUBRLGOSIOAT-UHFFFAOYSA-N 1 1 461.900 3.562 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164911366 721756530 /nfs/dbraw/zinc/75/65/30/721756530.db2.gz VBBBAYWCKRBORA-UHFFFAOYSA-N 1 1 489.407 3.803 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164911366 721756537 /nfs/dbraw/zinc/75/65/37/721756537.db2.gz VBBBAYWCKRBORA-UHFFFAOYSA-N 1 1 489.407 3.803 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164910127 721758707 /nfs/dbraw/zinc/75/87/07/721758707.db2.gz NKCGGERGYBAVLW-UHFFFAOYSA-N 1 1 456.930 3.713 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164910127 721758714 /nfs/dbraw/zinc/75/87/14/721758714.db2.gz NKCGGERGYBAVLW-UHFFFAOYSA-N 1 1 456.930 3.713 20 0 JHADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026277 721801149 /nfs/dbraw/zinc/80/11/49/721801149.db2.gz QGNZCBGZGRTGEC-KFKAGJAMSA-N 1 1 479.959 3.984 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165021408 721804231 /nfs/dbraw/zinc/80/42/31/721804231.db2.gz GRRBCWPGTSDEBQ-KAGYGMCKSA-N 1 1 464.639 3.660 20 0 JHADMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C(=O)OCC ZINC001165027830 721832329 /nfs/dbraw/zinc/83/23/29/721832329.db2.gz UDKOUWYKGLIKGA-NYVOZVTQSA-N 1 1 466.582 3.567 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928681 721833807 /nfs/dbraw/zinc/83/38/07/721833807.db2.gz XOCINEADVBCGIT-UKILVPOCSA-N 1 1 471.671 3.501 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001165021181 721843730 /nfs/dbraw/zinc/84/37/30/721843730.db2.gz GNPUIXXSUQBTAE-UHFFFAOYSA-N 1 1 456.921 3.715 20 0 JHADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939041 721929448 /nfs/dbraw/zinc/92/94/48/721929448.db2.gz HRJUNWPSOZVKTE-FPLPWBNLSA-N 1 1 460.578 3.929 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1C ZINC001164938660 721930540 /nfs/dbraw/zinc/93/05/40/721930540.db2.gz DBHWUMCXNDRSEX-UHFFFAOYSA-N 1 1 484.000 3.588 20 0 JHADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]21 ZINC001164949609 721956499 /nfs/dbraw/zinc/95/64/99/721956499.db2.gz VAVTZVUFZKPQKJ-SFTDATJTSA-N 1 1 482.654 3.598 20 0 JHADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164946949 721995125 /nfs/dbraw/zinc/99/51/25/721995125.db2.gz BEUJHPGLBUFWSQ-YYULODDRSA-N 1 1 456.656 3.901 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955806 722009942 /nfs/dbraw/zinc/00/99/42/722009942.db2.gz ZNKZZQBMKUKMME-DFBJGRDBSA-N 1 1 486.686 3.693 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3O2)n1 ZINC001164957242 722042683 /nfs/dbraw/zinc/04/26/83/722042683.db2.gz ALENEDIGJZIJEH-HBFSDRIKSA-N 1 1 476.606 3.948 20 0 JHADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164961653 722061459 /nfs/dbraw/zinc/06/14/59/722061459.db2.gz NRALHNONMIGWQH-UHFFFAOYSA-N 1 1 472.593 3.551 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)n1 ZINC001164969034 722080978 /nfs/dbraw/zinc/08/09/78/722080978.db2.gz HLLBHALUSOVBFC-BHDDXSALSA-N 1 1 495.697 3.862 20 0 JHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982765 722105058 /nfs/dbraw/zinc/10/50/58/722105058.db2.gz OVOVISCJTPIRQO-DYESRHJHSA-N 1 1 459.928 3.950 20 0 JHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980424 722108196 /nfs/dbraw/zinc/10/81/96/722108196.db2.gz RDWBQRFVTGJEOT-FGZHOGPDSA-N 1 1 490.011 3.650 20 0 JHADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973981 722123529 /nfs/dbraw/zinc/12/35/29/722123529.db2.gz IGSBVGAQEDPANM-RCZVLFRGSA-N 1 1 472.568 3.741 20 0 JHADMO c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975219 722138349 /nfs/dbraw/zinc/13/83/49/722138349.db2.gz FTKBJTUUZCKLCB-RCZVLFRGSA-N 1 1 458.610 3.742 20 0 JHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981721 722139869 /nfs/dbraw/zinc/13/98/69/722139869.db2.gz QEWJPVWPBVMQCR-WIOPSUGQSA-N 1 1 452.562 3.814 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164976242 722154182 /nfs/dbraw/zinc/15/41/82/722154182.db2.gz VSWYMMQFGGYQMI-GGAORHGYSA-N 1 1 465.985 3.831 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H](OCCOC)[C@@H]2Cc2cnn(C)c2)n1 ZINC001164999676 722224800 /nfs/dbraw/zinc/22/48/00/722224800.db2.gz OADAMBFQFGMMGA-LEWJYISDSA-N 1 1 486.686 3.736 20 0 JHADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CCC2 ZINC001164999143 722228372 /nfs/dbraw/zinc/22/83/72/722228372.db2.gz IRHBNFULJKDBIY-QGZVFWFLSA-N 1 1 493.681 3.655 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4c(ccnc4Cl)c2)CC3)CC1 ZINC001165002335 722238827 /nfs/dbraw/zinc/23/88/27/722238827.db2.gz UTINBOABXCWYAK-UHFFFAOYSA-N 1 1 458.944 3.580 20 0 JHADMO Cc1nc(-c2ccccc2Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1C ZINC001165002299 722238840 /nfs/dbraw/zinc/23/88/40/722238840.db2.gz TVVCMTNJGQNBAW-UHFFFAOYSA-N 1 1 464.017 3.561 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CC[N@H+]1CCOC ZINC001306621506 1069310121 /nfs/dbraw/zinc/31/01/21/1069310121.db2.gz XYKBLVGTRJLIEH-AZUAARDMSA-N 1 1 461.676 3.715 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(O)c2)CC[N@H+]1CCOC ZINC001306621384 1069310167 /nfs/dbraw/zinc/31/01/67/1069310167.db2.gz BVSQEBAAIHUMEI-FQEVSTJZSA-N 1 1 471.005 3.685 20 0 JHADMO Cn1cc(Br)c(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1=O ZINC001311284837 1069316385 /nfs/dbraw/zinc/31/63/85/1069316385.db2.gz YNTBDXDTPNCIOS-QGZVFWFLSA-N 1 1 459.388 3.572 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)cc2)CC[N@H+]1CCOC ZINC001306624877 1069319024 /nfs/dbraw/zinc/31/90/24/1069319024.db2.gz MTVPQHISRMMBFO-IRLDBZIGSA-N 1 1 462.038 3.811 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001306626141 1069320904 /nfs/dbraw/zinc/32/09/04/1069320904.db2.gz CVIKFBHNMUWAOX-NHCUHLMSSA-N 1 1 490.693 3.567 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001306626435 1069321698 /nfs/dbraw/zinc/32/16/98/1069321698.db2.gz YHKAGQAQSZRKEI-SFTDATJTSA-N 1 1 477.600 3.630 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC[N@H+]1CCOC ZINC001306626995 1069323361 /nfs/dbraw/zinc/32/33/61/1069323361.db2.gz QDTHAOFVPGFKNC-QHCPKHFHSA-N 1 1 476.065 3.886 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC[N@H+]1CCOC ZINC001306626994 1069323515 /nfs/dbraw/zinc/32/35/15/1069323515.db2.gz QDTHAOFVPGFKNC-HSZRJFAPSA-N 1 1 476.065 3.886 20 0 JHADMO CC[C@@H]1CN(C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC001311328507 1069326191 /nfs/dbraw/zinc/32/61/91/1069326191.db2.gz LAFHBORRXKIALS-GOSISDBHSA-N 1 1 456.568 3.750 20 0 JHADMO CC[C@@H]1CN(C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC001311328507 1069326205 /nfs/dbraw/zinc/32/62/05/1069326205.db2.gz LAFHBORRXKIALS-GOSISDBHSA-N 1 1 456.568 3.750 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC[N@H+]1CCOC ZINC001306628423 1069326208 /nfs/dbraw/zinc/32/62/08/1069326208.db2.gz JMEAPEMNDIKGCR-QFIPXVFZSA-N 1 1 469.033 3.903 20 0 JHADMO CCC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001306633302 1069336234 /nfs/dbraw/zinc/33/62/34/1069336234.db2.gz SGPWGAPBMDPEDN-VXKWHMMOSA-N 1 1 471.646 3.991 20 0 JHADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001306635780 1069343622 /nfs/dbraw/zinc/34/36/22/1069343622.db2.gz SMSWALRHTGVWFK-PMACEKPBSA-N 1 1 455.651 3.916 20 0 JHADMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001311361726 1069345222 /nfs/dbraw/zinc/34/52/22/1069345222.db2.gz WEQGOHVYLWNRMF-WAOWUJCRSA-N 1 1 455.018 3.613 20 0 JHADMO O=C(NCCC[NH+]1CCOCC1)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001311366998 1069347291 /nfs/dbraw/zinc/34/72/91/1069347291.db2.gz YUVWZNJCTOLEBT-HXUWFJFHSA-N 1 1 450.352 3.699 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[C@H]2OC)CC[N@H+]1CCOC ZINC001306639861 1069350960 /nfs/dbraw/zinc/35/09/60/1069350960.db2.gz CZNJWTLDSFSJOL-MIZPHKNDSA-N 1 1 459.610 3.836 20 0 JHADMO Cc1cccc(N2CCN(CCCNC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC001311379982 1069354135 /nfs/dbraw/zinc/35/41/35/1069354135.db2.gz HDJBXQFRPDKJTA-SANMLTNESA-N 1 1 455.691 3.851 20 0 JHADMO 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CCCC[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306688601 1069426010 /nfs/dbraw/zinc/42/60/10/1069426010.db2.gz QNRQVULGWCFJIV-UHFFFAOYSA-N 1 1 497.688 3.544 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001306689426 1069426524 /nfs/dbraw/zinc/42/65/24/1069426524.db2.gz WTWFPVGMGNQENB-UHFFFAOYSA-N 1 1 473.065 3.703 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001306689404 1069426768 /nfs/dbraw/zinc/42/67/68/1069426768.db2.gz WFJJOLWFZLTSGC-QFIPXVFZSA-N 1 1 468.568 3.526 20 0 JHADMO CCCCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001306690878 1069428448 /nfs/dbraw/zinc/42/84/48/1069428448.db2.gz KLHBUMBLBNGIDR-UHFFFAOYSA-N 1 1 495.441 3.637 20 0 JHADMO CCCCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001306692545 1069429641 /nfs/dbraw/zinc/42/96/41/1069429641.db2.gz LJVDCGFCPCBHTP-IBGZPJMESA-N 1 1 451.619 3.643 20 0 JHADMO C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001311546881 1069433037 /nfs/dbraw/zinc/43/30/37/1069433037.db2.gz YBBIXARGWPAKDD-UPVQGACJSA-N 1 1 450.627 3.619 20 0 JHADMO CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306701937 1069437508 /nfs/dbraw/zinc/43/75/08/1069437508.db2.gz CQPWAUPARMKBCL-UHFFFAOYSA-N 1 1 470.662 3.757 20 0 JHADMO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311578736 1069447490 /nfs/dbraw/zinc/44/74/90/1069447490.db2.gz SZACYRNSZNZAOJ-HXUWFJFHSA-N 1 1 454.372 3.709 20 0 JHADMO CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306708925 1069443188 /nfs/dbraw/zinc/44/31/88/1069443188.db2.gz OGFGCHJXNDJXRG-HXUWFJFHSA-N 1 1 461.054 3.630 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001306720217 1069454406 /nfs/dbraw/zinc/45/44/06/1069454406.db2.gz HJFCDNJJZRHGAT-MOPGFXCFSA-N 1 1 488.599 3.619 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001306721638 1069458468 /nfs/dbraw/zinc/45/84/68/1069458468.db2.gz CUGCUPXFSARCQB-TZIWHRDSSA-N 1 1 485.629 3.616 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001306722572 1069461199 /nfs/dbraw/zinc/46/11/99/1069461199.db2.gz JAWZWYFCECYYIU-QFIPXVFZSA-N 1 1 467.662 3.656 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 ZINC001306723147 1069462455 /nfs/dbraw/zinc/46/24/55/1069462455.db2.gz QHTUBOYROAZLTE-CJFMBICVSA-N 1 1 469.634 3.585 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001306723232 1069462892 /nfs/dbraw/zinc/46/28/92/1069462892.db2.gz PKONEJLQMGKKMP-RXFWQSSRSA-N 1 1 468.646 3.571 20 0 JHADMO CC[C@H](NC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611131 1069463018 /nfs/dbraw/zinc/46/30/18/1069463018.db2.gz ISKXJXIAYSMABQ-GMAHTHKFSA-N 1 1 452.599 3.569 20 0 JHADMO 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CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001306733502 1069493256 /nfs/dbraw/zinc/49/32/56/1069493256.db2.gz ZBHISBWHMDRODX-BKSPAHHJSA-N 1 1 463.667 3.589 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)CCO1 ZINC001311663910 1069493560 /nfs/dbraw/zinc/49/35/60/1069493560.db2.gz FJPNPYOBLVSKTK-CQSZACIVSA-N 1 1 453.427 3.934 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)CCO1 ZINC001311663910 1069493567 /nfs/dbraw/zinc/49/35/67/1069493567.db2.gz FJPNPYOBLVSKTK-CQSZACIVSA-N 1 1 453.427 3.934 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1F ZINC001311664250 1069493579 /nfs/dbraw/zinc/49/35/79/1069493579.db2.gz BCNDHFQDSKFIME-UHFFFAOYSA-N 1 1 457.937 3.809 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1F ZINC001311665365 1069494691 /nfs/dbraw/zinc/49/46/91/1069494691.db2.gz JHECHLVRZRIZRQ-MOPGFXCFSA-N 1 1 457.550 3.718 20 0 JHADMO 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 1069497903 /nfs/dbraw/zinc/49/79/03/1069497903.db2.gz GNGVPFRHZCFOSX-JTJHWIPRSA-N 1 1 458.651 3.794 20 0 JHADMO 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 1069497965 /nfs/dbraw/zinc/49/79/65/1069497965.db2.gz GNGVPFRHZCFOSX-RCLSDMTESA-N 1 1 458.651 3.794 20 0 JHADMO CCOC(=O)c1ccc(CNC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC001311685752 1069502654 /nfs/dbraw/zinc/50/26/54/1069502654.db2.gz MLVZNECZNURBRE-UHFFFAOYSA-N 1 1 458.990 3.528 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306738320 1069509165 /nfs/dbraw/zinc/50/91/65/1069509165.db2.gz RYAUCNFQTXEGDY-IRLDBZIGSA-N 1 1 468.646 3.571 20 0 JHADMO COc1ccc(Cl)cc1CN1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001311703008 1069510681 /nfs/dbraw/zinc/51/06/81/1069510681.db2.gz CMVBTZASJQZDSW-KDURUIRLSA-N 1 1 451.055 3.932 20 0 JHADMO 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C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC001311795708 1069549243 /nfs/dbraw/zinc/54/92/43/1069549243.db2.gz WQHSFPLESIOWSF-LMMKCTJWSA-N 1 1 450.649 3.687 20 0 JHADMO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+]1CCc2sccc2C1 ZINC001311795708 1069549252 /nfs/dbraw/zinc/54/92/52/1069549252.db2.gz WQHSFPLESIOWSF-LMMKCTJWSA-N 1 1 450.649 3.687 20 0 JHADMO CCCCOc1ncccc1Cn1c(CC)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306756449 1069554628 /nfs/dbraw/zinc/55/46/28/1069554628.db2.gz YOVHLCNIFGNJOP-OYRHEFFESA-N 1 1 470.662 3.788 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCC2)C1 ZINC001306778682 1069573957 /nfs/dbraw/zinc/57/39/57/1069573957.db2.gz ASPZOSHFOUDDJN-KRWDZBQOSA-N 1 1 492.462 3.799 20 0 JHADMO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001306775518 1069571943 /nfs/dbraw/zinc/57/19/43/1069571943.db2.gz NCXGDTUIKZUZJN-LJQANCHMSA-N 1 1 464.655 3.555 20 0 JHADMO 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CCOCc1nnc(N(C)Cc2cc(OC)ccc2Br)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001314301640 1070086278 /nfs/dbraw/zinc/08/62/78/1070086278.db2.gz SVYNZVOROMULPI-INIZCTEOSA-N 1 1 489.418 3.681 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314304821 1070091206 /nfs/dbraw/zinc/09/12/06/1070091206.db2.gz VHVCROFOBTVQMP-RBBKRZOGSA-N 1 1 490.718 3.506 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647230 1070100132 /nfs/dbraw/zinc/10/01/32/1070100132.db2.gz QSSZSGHCGMQNIT-UXHICEINSA-N 1 1 456.530 3.669 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647230 1070100143 /nfs/dbraw/zinc/10/01/43/1070100143.db2.gz QSSZSGHCGMQNIT-UXHICEINSA-N 1 1 456.530 3.669 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647232 1070100194 /nfs/dbraw/zinc/10/01/94/1070100194.db2.gz QSSZSGHCGMQNIT-VQTJNVASSA-N 1 1 456.530 3.669 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001307647232 1070100200 /nfs/dbraw/zinc/10/02/00/1070100200.db2.gz QSSZSGHCGMQNIT-VQTJNVASSA-N 1 1 456.530 3.669 20 0 JHADMO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001307654253 1070104381 /nfs/dbraw/zinc/10/43/81/1070104381.db2.gz FWRMCNZCKWHJAJ-NWDGAFQWSA-N 1 1 456.182 3.762 20 0 JHADMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 ZINC001307654290 1070104516 /nfs/dbraw/zinc/10/45/16/1070104516.db2.gz PANDTXLBBVNCAQ-UHFFFAOYSA-N 1 1 451.633 3.696 20 0 JHADMO COC(=O)c1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC001312760524 1070109386 /nfs/dbraw/zinc/10/93/86/1070109386.db2.gz IPMGYQPSDUXCSB-UHFFFAOYSA-N 1 1 459.974 3.595 20 0 JHADMO COC(=O)c1ccc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC001312760524 1070109394 /nfs/dbraw/zinc/10/93/94/1070109394.db2.gz IPMGYQPSDUXCSB-UHFFFAOYSA-N 1 1 459.974 3.595 20 0 JHADMO Cn1cc([C@@H](CO)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cn1 ZINC001307662227 1070108809 /nfs/dbraw/zinc/10/88/09/1070108809.db2.gz CIBFLACYOIBTIL-OAQYLSRUSA-N 1 1 452.356 3.859 20 0 JHADMO 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 1070109832 /nfs/dbraw/zinc/10/98/32/1070109832.db2.gz UHMRFMIEHBILOO-QXUYBEEESA-N 1 1 471.646 3.669 20 0 JHADMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001307671815 1070115509 /nfs/dbraw/zinc/11/55/09/1070115509.db2.gz HPIFMVSFQQILHA-CYFREDJKSA-N 1 1 451.596 3.905 20 0 JHADMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC001307681298 1070122077 /nfs/dbraw/zinc/12/20/77/1070122077.db2.gz XWQFRGYWPLGDIH-OAQYLSRUSA-N 1 1 453.336 3.942 20 0 JHADMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC001307684102 1070123813 /nfs/dbraw/zinc/12/38/13/1070123813.db2.gz KDIIKGZNFNYUSJ-QGZVFWFLSA-N 1 1 455.555 3.520 20 0 JHADMO CCOCc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314331241 1070123816 /nfs/dbraw/zinc/12/38/16/1070123816.db2.gz QGOFCVVFFBLRPW-UHFFFAOYSA-N 1 1 496.700 3.778 20 0 JHADMO CCOCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314336814 1070131828 /nfs/dbraw/zinc/13/18/28/1070131828.db2.gz ZCPMVLFUBQUTFH-VGSWGCGISA-N 1 1 475.600 3.855 20 0 JHADMO O=C1[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)CCN1CC(F)(F)F ZINC001307698293 1070134153 /nfs/dbraw/zinc/13/41/53/1070134153.db2.gz CHQIGRGPDRCEGQ-RTBURBONSA-N 1 1 458.427 3.987 20 0 JHADMO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001307704173 1070135890 /nfs/dbraw/zinc/13/58/90/1070135890.db2.gz AZNVUENXIHNXER-BBRMVZONSA-N 1 1 452.304 3.657 20 0 JHADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001312814239 1070136931 /nfs/dbraw/zinc/13/69/31/1070136931.db2.gz MFJNFEDTDPDBQY-IBGZPJMESA-N 1 1 459.660 3.766 20 0 JHADMO CCOCc1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001314340362 1070137893 /nfs/dbraw/zinc/13/78/93/1070137893.db2.gz PTJGRNIOJJLYEZ-SFHVURJKSA-N 1 1 470.540 3.699 20 0 JHADMO CCOCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001314341060 1070140236 /nfs/dbraw/zinc/14/02/36/1070140236.db2.gz FKHXOEWVFCJGFJ-CPJSRVTESA-N 1 1 459.635 3.796 20 0 JHADMO C[C@@H]1[C@H](NC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001312815626 1070138823 /nfs/dbraw/zinc/13/88/23/1070138823.db2.gz MLQRAXPCECRBMN-HBGVWJBISA-N 1 1 451.489 3.971 20 0 JHADMO C[C@@H]1[C@@H](NC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001312815628 1070138851 /nfs/dbraw/zinc/13/88/51/1070138851.db2.gz MLQRAXPCECRBMN-TYCQWZJGSA-N 1 1 451.489 3.971 20 0 JHADMO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001312834944 1070146554 /nfs/dbraw/zinc/14/65/54/1070146554.db2.gz AKTZPRJVCNWUNL-OAQYLSRUSA-N 1 1 458.676 3.504 20 0 JHADMO CCOCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001314343985 1070147282 /nfs/dbraw/zinc/14/72/82/1070147282.db2.gz NPTDRQYPRJUTTO-UXHICEINSA-N 1 1 464.655 3.525 20 0 JHADMO CCOCc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314344287 1070148279 /nfs/dbraw/zinc/14/82/79/1070148279.db2.gz UPGSEIZVXGLKDH-ZEQKJWHPSA-N 1 1 455.647 3.857 20 0 JHADMO COC[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC001307727244 1070151916 /nfs/dbraw/zinc/15/19/16/1070151916.db2.gz PYSXRNKETAXAOK-FUHWJXTLSA-N 1 1 455.864 3.923 20 0 JHADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001307729397 1070152991 /nfs/dbraw/zinc/15/29/91/1070152991.db2.gz TWMSJJFJGKBYBE-AZUAARDMSA-N 1 1 459.587 3.817 20 0 JHADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001307729397 1070153004 /nfs/dbraw/zinc/15/30/04/1070153004.db2.gz TWMSJJFJGKBYBE-AZUAARDMSA-N 1 1 459.587 3.817 20 0 JHADMO 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CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314348605 1070159170 /nfs/dbraw/zinc/15/91/70/1070159170.db2.gz CYCHCOPPNLEKLN-XLIONFOSSA-N 1 1 493.052 3.874 20 0 JHADMO CCOCc1nnc(N2CCC(O)(Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314350474 1070167672 /nfs/dbraw/zinc/16/76/72/1070167672.db2.gz XWPVPZOKCONGFP-XZOQPEGZSA-N 1 1 469.674 3.817 20 0 JHADMO CCOCc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314351284 1070170302 /nfs/dbraw/zinc/17/03/02/1070170302.db2.gz BMOAAFTZVDUPFE-MOPGFXCFSA-N 1 1 460.598 3.517 20 0 JHADMO COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001307763202 1070172711 /nfs/dbraw/zinc/17/27/11/1070172711.db2.gz PHKKHDAICJKIPH-KDYSTLNUSA-N 1 1 451.611 3.787 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314355308 1070177010 /nfs/dbraw/zinc/17/70/10/1070177010.db2.gz NLHMTTSKEJKXFS-HXUWFJFHSA-N 1 1 485.673 3.948 20 0 JHADMO CCOCc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@H]1CCC[N@H+]1CC ZINC001314357773 1070179842 /nfs/dbraw/zinc/17/98/42/1070179842.db2.gz RTAYEUABEZJUMJ-OAQYLSRUSA-N 1 1 459.610 3.989 20 0 JHADMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](CC(C)(C)C(N)=O)C3)[C@H](c3ccco3)C2)cc1 ZINC001307782931 1070180417 /nfs/dbraw/zinc/18/04/17/1070180417.db2.gz YPISNVXEGLOKTJ-KNQAVFIVSA-N 1 1 450.583 3.879 20 0 JHADMO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](CC(C)(C)C(N)=O)C3)[C@H](c3ccco3)C2)cc1 ZINC001307782931 1070180419 /nfs/dbraw/zinc/18/04/19/1070180419.db2.gz YPISNVXEGLOKTJ-KNQAVFIVSA-N 1 1 450.583 3.879 20 0 JHADMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C)C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC001307788698 1070182993 /nfs/dbraw/zinc/18/29/93/1070182993.db2.gz AOKFWZXIZHFIFL-URXFXBBRSA-N 1 1 451.611 3.615 20 0 JHADMO CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001312932962 1070187188 /nfs/dbraw/zinc/18/71/88/1070187188.db2.gz ORHGNXGLLRFKIW-XZOQPEGZSA-N 1 1 456.612 3.646 20 0 JHADMO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307802481 1070189531 /nfs/dbraw/zinc/18/95/31/1070189531.db2.gz HYMWZMMUPAEUNR-KRWDZBQOSA-N 1 1 455.624 3.831 20 0 JHADMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC001307802481 1070189537 /nfs/dbraw/zinc/18/95/37/1070189537.db2.gz HYMWZMMUPAEUNR-KRWDZBQOSA-N 1 1 455.624 3.831 20 0 JHADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC001307802541 1070189552 /nfs/dbraw/zinc/18/95/52/1070189552.db2.gz INQQQCHWKVWTFA-JOCHJYFZSA-N 1 1 456.340 3.740 20 0 JHADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC001307802541 1070189555 /nfs/dbraw/zinc/18/95/55/1070189555.db2.gz INQQQCHWKVWTFA-JOCHJYFZSA-N 1 1 456.340 3.740 20 0 JHADMO O=C(C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001307803298 1070189763 /nfs/dbraw/zinc/18/97/63/1070189763.db2.gz IQBXGQUKPOXXCX-QHCPKHFHSA-N 1 1 450.501 3.518 20 0 JHADMO O=C(C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001307803298 1070189768 /nfs/dbraw/zinc/18/97/68/1070189768.db2.gz IQBXGQUKPOXXCX-QHCPKHFHSA-N 1 1 450.501 3.518 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001314364642 1070192716 /nfs/dbraw/zinc/19/27/16/1070192716.db2.gz NPLRWIWHIAFMFV-FQEVSTJZSA-N 1 1 453.591 3.536 20 0 JHADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC001307810584 1070194237 /nfs/dbraw/zinc/19/42/37/1070194237.db2.gz CTPXLGAAMINCMY-HSZRJFAPSA-N 1 1 450.938 3.752 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001307812343 1070195193 /nfs/dbraw/zinc/19/51/93/1070195193.db2.gz OVQNTDCRWKXVKH-MAUKXSAKSA-N 1 1 451.327 3.995 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001307812343 1070195196 /nfs/dbraw/zinc/19/51/96/1070195196.db2.gz OVQNTDCRWKXVKH-MAUKXSAKSA-N 1 1 451.327 3.995 20 0 JHADMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307819887 1070199461 /nfs/dbraw/zinc/19/94/61/1070199461.db2.gz BWFDMFOICJUKBH-SANMLTNESA-N 1 1 451.567 3.609 20 0 JHADMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001307819887 1070199467 /nfs/dbraw/zinc/19/94/67/1070199467.db2.gz BWFDMFOICJUKBH-SANMLTNESA-N 1 1 451.567 3.609 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CC(=O)NCc3ccccc3COc3ccccc3)[C@@H]2C1 ZINC001307839678 1070207312 /nfs/dbraw/zinc/20/73/12/1070207312.db2.gz OSJGFNRNZLBLAV-XUZZJYLKSA-N 1 1 465.594 3.823 20 0 JHADMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3COc3ccccc3)[C@@H]2C1 ZINC001307839678 1070207325 /nfs/dbraw/zinc/20/73/25/1070207325.db2.gz OSJGFNRNZLBLAV-XUZZJYLKSA-N 1 1 465.594 3.823 20 0 JHADMO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307843267 1070209070 /nfs/dbraw/zinc/20/90/70/1070209070.db2.gz LLZSXZYKSKIYDO-OIBXWCBGSA-N 1 1 456.631 3.875 20 0 JHADMO 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 ZINC001312988719 1070210715 /nfs/dbraw/zinc/21/07/15/1070210715.db2.gz QSYTUNXRELRXGV-HMNCIZAVSA-N 1 1 474.646 3.912 20 0 JHADMO 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 ZINC001312990107 1070212773 /nfs/dbraw/zinc/21/27/73/1070212773.db2.gz LKOFBEKZOYRXSE-BRKWEVRTSA-N 1 1 462.610 3.900 20 0 JHADMO COC(=O)[C@@H]1C[N@H+](Cc2nc(Cc3ccc(F)cc3)no2)C[C@H]1c1ccc(Br)cc1 ZINC001307859224 1070213913 /nfs/dbraw/zinc/21/39/13/1070213913.db2.gz FDCDNUOTYPBTKG-RBUKOAKNSA-N 1 1 474.330 3.951 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(Cc3ccc(F)cc3)no2)C[C@H]1c1ccc(Br)cc1 ZINC001307859224 1070213922 /nfs/dbraw/zinc/21/39/22/1070213922.db2.gz FDCDNUOTYPBTKG-RBUKOAKNSA-N 1 1 474.330 3.951 20 0 JHADMO CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001307865348 1070216617 /nfs/dbraw/zinc/21/66/17/1070216617.db2.gz NVTZFCAXJXBGHS-VQTJNVASSA-N 1 1 459.616 3.687 20 0 JHADMO O=C(C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1)NCc1ccc(COc2ccccc2)cc1 ZINC001307870007 1070217878 /nfs/dbraw/zinc/21/78/78/1070217878.db2.gz WVZOHXUHZJUTNI-VWLOTQADSA-N 1 1 457.574 3.520 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1)CCC2 ZINC001307872164 1070217921 /nfs/dbraw/zinc/21/79/21/1070217921.db2.gz NPWNCROCVSUXOJ-UXHICEINSA-N 1 1 456.608 3.810 20 0 JHADMO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1)CCC2 ZINC001307872164 1070217929 /nfs/dbraw/zinc/21/79/29/1070217929.db2.gz NPWNCROCVSUXOJ-UXHICEINSA-N 1 1 456.608 3.810 20 0 JHADMO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC001307873816 1070219072 /nfs/dbraw/zinc/21/90/72/1070219072.db2.gz JEMIODIJCVQLPI-RXVVDRJESA-N 1 1 451.633 3.707 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314378391 1070221230 /nfs/dbraw/zinc/22/12/30/1070221230.db2.gz NBQQFSJHMSDMTQ-FUPPJEDESA-N 1 1 455.647 3.914 20 0 JHADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC001307884557 1070223729 /nfs/dbraw/zinc/22/37/29/1070223729.db2.gz QFKWYHKWXCNTPJ-KYJSFNMBSA-N 1 1 457.596 3.813 20 0 JHADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC001307884557 1070223737 /nfs/dbraw/zinc/22/37/37/1070223737.db2.gz QFKWYHKWXCNTPJ-KYJSFNMBSA-N 1 1 457.596 3.813 20 0 JHADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC001307884559 1070223939 /nfs/dbraw/zinc/22/39/39/1070223939.db2.gz QFKWYHKWXCNTPJ-UWWQBHOKSA-N 1 1 457.596 3.813 20 0 JHADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC001307884559 1070223950 /nfs/dbraw/zinc/22/39/50/1070223950.db2.gz QFKWYHKWXCNTPJ-UWWQBHOKSA-N 1 1 457.596 3.813 20 0 JHADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001313034448 1070228477 /nfs/dbraw/zinc/22/84/77/1070228477.db2.gz AISCCOXYLJRPDZ-FQEVSTJZSA-N 1 1 454.656 3.556 20 0 JHADMO COCC[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001307895217 1070228884 /nfs/dbraw/zinc/22/88/84/1070228884.db2.gz RZZXMLHGPNILRD-UHFFFAOYSA-N 1 1 457.546 3.904 20 0 JHADMO CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001314386252 1070232361 /nfs/dbraw/zinc/23/23/61/1070232361.db2.gz WQQBLVUMLPXZLW-HXUWFJFHSA-N 1 1 478.682 3.915 20 0 JHADMO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(C)c1 ZINC001307893086 1070228284 /nfs/dbraw/zinc/22/82/84/1070228284.db2.gz FXXDRXPMQFYEPB-VABKMULXSA-N 1 1 450.627 3.650 20 0 JHADMO CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314387865 1070237232 /nfs/dbraw/zinc/23/72/32/1070237232.db2.gz FKHOSFWFUTXIHM-HBMCJLEFSA-N 1 1 475.707 3.522 20 0 JHADMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(C)c1 ZINC001307931989 1070247705 /nfs/dbraw/zinc/24/77/05/1070247705.db2.gz ZHHFDPNEWQUFSV-DEOSSOPVSA-N 1 1 450.627 3.509 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314390346 1070243957 /nfs/dbraw/zinc/24/39/57/1070243957.db2.gz KSTPQGJJHYIWQV-WZONZLPQSA-N 1 1 481.563 3.575 20 0 JHADMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001307924599 1070244770 /nfs/dbraw/zinc/24/47/70/1070244770.db2.gz UHPUFHFEGOFMIK-FQEVSTJZSA-N 1 1 459.587 3.771 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OC)c(OCC)c1 ZINC001314391062 1070245311 /nfs/dbraw/zinc/24/53/11/1070245311.db2.gz QWZVDBBUNLIVDT-IBGZPJMESA-N 1 1 457.619 3.581 20 0 JHADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC001307936284 1070249534 /nfs/dbraw/zinc/24/95/34/1070249534.db2.gz CCQUJGAHRPPQFF-QFBILLFUSA-N 1 1 452.979 3.610 20 0 JHADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC001307936284 1070249538 /nfs/dbraw/zinc/24/95/38/1070249538.db2.gz CCQUJGAHRPPQFF-QFBILLFUSA-N 1 1 452.979 3.610 20 0 JHADMO O=C(C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)NCc1cccc(OCC(F)(F)F)c1 ZINC001307939371 1070250518 /nfs/dbraw/zinc/25/05/18/1070250518.db2.gz PDTHMAZWGJLISD-VQIMIIECSA-N 1 1 462.390 3.768 20 0 JHADMO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1OC ZINC001307944109 1070252988 /nfs/dbraw/zinc/25/29/88/1070252988.db2.gz DCNNFHLOPDWDQB-OYHNWAKOSA-N 1 1 454.489 3.787 20 0 JHADMO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1OC ZINC001307944107 1070253141 /nfs/dbraw/zinc/25/31/41/1070253141.db2.gz DCNNFHLOPDWDQB-IVZQSRNASA-N 1 1 454.489 3.787 20 0 JHADMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001313118487 1070256251 /nfs/dbraw/zinc/25/62/51/1070256251.db2.gz ZYHJKVOHCGILDO-SJLPKXTDSA-N 1 1 453.427 3.771 20 0 JHADMO COc1ccc(CNC(=O)CC[N@@H+]2CCc3ccc(F)c(Br)c3C2)c(OC)c1 ZINC001307954050 1070256431 /nfs/dbraw/zinc/25/64/31/1070256431.db2.gz IFKUPJZXWFSFLF-UHFFFAOYSA-N 1 1 451.336 3.670 20 0 JHADMO COc1ccc(CNC(=O)CC[N@H+]2CCc3ccc(F)c(Br)c3C2)c(OC)c1 ZINC001307954050 1070256443 /nfs/dbraw/zinc/25/64/43/1070256443.db2.gz IFKUPJZXWFSFLF-UHFFFAOYSA-N 1 1 451.336 3.670 20 0 JHADMO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)c1 ZINC001307955537 1070257176 /nfs/dbraw/zinc/25/71/76/1070257176.db2.gz AXQIKLDCLKXEPG-QGZVFWFLSA-N 1 1 453.587 3.759 20 0 JHADMO CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001314397301 1070257362 /nfs/dbraw/zinc/25/73/62/1070257362.db2.gz RXXCACLGAAHVMO-NHCUHLMSSA-N 1 1 486.661 3.686 20 0 JHADMO CCOCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314401312 1070262818 /nfs/dbraw/zinc/26/28/18/1070262818.db2.gz SRPXDKSSIQNIFT-RBUKOAKNSA-N 1 1 466.399 3.962 20 0 JHADMO Cc1cc(N2CCN(C(=O)C[NH2+]C(C)(C)c3nc4ccccc4s3)CC2)nc(C(C)C)n1 ZINC001307963136 1070260102 /nfs/dbraw/zinc/26/01/02/1070260102.db2.gz KSIHTDGBAYAMRR-UHFFFAOYSA-N 1 1 452.628 3.692 20 0 JHADMO Cc1cc(C[NH+]2CCC(c3nnc(CNC(=O)OCc4ccccc4)[nH]3)CC2)cc(Cl)n1 ZINC001307962569 1070260155 /nfs/dbraw/zinc/26/01/55/1070260155.db2.gz TVSQYSZZGSEIFF-UHFFFAOYSA-N 1 1 454.962 3.968 20 0 JHADMO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CC[NH+](CCCF)CC1 ZINC001307979380 1070268075 /nfs/dbraw/zinc/26/80/75/1070268075.db2.gz YQEZXRIEMSAAMA-UHFFFAOYSA-N 1 1 453.967 3.771 20 0 JHADMO 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 ZINC001313135087 1070264359 /nfs/dbraw/zinc/26/43/59/1070264359.db2.gz CMLAKQJKNFAAGZ-IFXCNKOCSA-N 1 1 456.631 3.843 20 0 JHADMO COC(=O)c1cnc(C2CCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)s1 ZINC001313135824 1070265240 /nfs/dbraw/zinc/26/52/40/1070265240.db2.gz DRCDUUQBQUAFHS-PXNSSMCTSA-N 1 1 456.612 3.587 20 0 JHADMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001307979872 1070267788 /nfs/dbraw/zinc/26/77/88/1070267788.db2.gz NZUZZVMHVVFAOR-GOSISDBHSA-N 1 1 458.773 3.723 20 0 JHADMO 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CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1OCCC1(C)C ZINC001314872007 1071286300 /nfs/dbraw/zinc/28/63/00/1071286300.db2.gz GNGXMXZXXKAQED-OAQYLSRUSA-N 1 1 476.065 3.884 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS1 ZINC001314872515 1071286795 /nfs/dbraw/zinc/28/67/95/1071286795.db2.gz LEQDBLUUVPQBNQ-QGZVFWFLSA-N 1 1 465.614 3.590 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS1 ZINC001314872515 1071286808 /nfs/dbraw/zinc/28/68/08/1071286808.db2.gz LEQDBLUUVPQBNQ-QGZVFWFLSA-N 1 1 465.614 3.590 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CCCc1nccs1 ZINC001314872508 1071287194 /nfs/dbraw/zinc/28/71/94/1071287194.db2.gz KYBJCHSSTMMRLS-UHFFFAOYSA-N 1 1 472.634 3.644 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CCCc1nccs1 ZINC001314872508 1071287201 /nfs/dbraw/zinc/28/72/01/1071287201.db2.gz KYBJCHSSTMMRLS-UHFFFAOYSA-N 1 1 472.634 3.644 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)c1ccccn1 ZINC001314872637 1071287954 /nfs/dbraw/zinc/28/79/54/1071287954.db2.gz MEJDPPRVKLYQSP-UHFFFAOYSA-N 1 1 480.632 3.928 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)c1ccccn1 ZINC001314872637 1071287959 /nfs/dbraw/zinc/28/79/59/1071287959.db2.gz MEJDPPRVKLYQSP-UHFFFAOYSA-N 1 1 480.632 3.928 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCC1(F)F ZINC001314872895 1071288804 /nfs/dbraw/zinc/28/88/04/1071288804.db2.gz ROLSZUQEINQPCD-OALUTQOASA-N 1 1 455.594 3.892 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCC1(F)F ZINC001314872895 1071288808 /nfs/dbraw/zinc/28/88/08/1071288808.db2.gz ROLSZUQEINQPCD-OALUTQOASA-N 1 1 455.594 3.892 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001314877895 1071297284 /nfs/dbraw/zinc/29/72/84/1071297284.db2.gz VIADZFDJBKWJNV-MRXNPFEDSA-N 1 1 490.450 3.757 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001313826207 1071295544 /nfs/dbraw/zinc/29/55/44/1071295544.db2.gz JWLJWZACPYCBPQ-CPJSRVTESA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313826161 1071295705 /nfs/dbraw/zinc/29/57/05/1071295705.db2.gz HPGCHQFCCSGBPK-DHIUTWEWSA-N 1 1 483.705 3.951 20 0 JHADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314880013 1071301712 /nfs/dbraw/zinc/30/17/12/1071301712.db2.gz BXBPDOWKMWOJJW-WOJBJXKFSA-N 1 1 465.683 3.559 20 0 JHADMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1OC1CCOCC1 ZINC001310325870 1071308622 /nfs/dbraw/zinc/30/86/22/1071308622.db2.gz VMCCLRTZXVYQRE-CPJSRVTESA-N 1 1 453.583 3.964 20 0 JHADMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1OC1CCOCC1 ZINC001310325870 1071308638 /nfs/dbraw/zinc/30/86/38/1071308638.db2.gz VMCCLRTZXVYQRE-CPJSRVTESA-N 1 1 453.583 3.964 20 0 JHADMO CCn1cc(CN(C)c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC001313840057 1071323705 /nfs/dbraw/zinc/32/37/05/1071323705.db2.gz DSBJGKUWYIGMED-UHFFFAOYSA-N 1 1 465.646 3.600 20 0 JHADMO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001310344854 1071327475 /nfs/dbraw/zinc/32/74/75/1071327475.db2.gz QQAQKROJBPZUGA-KRWDZBQOSA-N 1 1 453.562 3.997 20 0 JHADMO Cc1ccc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1OCC1CCOCC1 ZINC001310346851 1071328613 /nfs/dbraw/zinc/32/86/13/1071328613.db2.gz PHCJHMFRSVFAIL-UHFFFAOYSA-N 1 1 458.647 3.823 20 0 JHADMO Cn1cc(C[N@H+]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCC(F)(F)F)CC2)cn1 ZINC001314905259 1071343583 /nfs/dbraw/zinc/34/35/83/1071343583.db2.gz SVYBDDURIKNZJQ-WOJBJXKFSA-N 1 1 497.610 3.985 20 0 JHADMO Cn1cccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001314916349 1071358285 /nfs/dbraw/zinc/35/82/85/1071358285.db2.gz AILSOVFPFKPPQD-UHFFFAOYSA-N 1 1 469.634 3.946 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001313858554 1071360243 /nfs/dbraw/zinc/36/02/43/1071360243.db2.gz BOEIZWPFCWGNHU-HLLBOEOZSA-N 1 1 498.853 3.695 20 0 JHADMO 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 1071359289 /nfs/dbraw/zinc/35/92/89/1071359289.db2.gz BKLSNTLGTWEBRP-MPGHIAIKSA-N 1 1 471.499 3.890 20 0 JHADMO 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 1071362437 /nfs/dbraw/zinc/36/24/37/1071362437.db2.gz FKAQBWRVSPVTML-OALUTQOASA-N 1 1 475.641 3.704 20 0 JHADMO CN(C[C@H]1CC=CCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314922932 1071366060 /nfs/dbraw/zinc/36/60/60/1071366060.db2.gz MPHPIVKMHAYYSE-AOMKIAJQSA-N 1 1 478.410 3.706 20 0 JHADMO CN(CC1CCCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314922045 1071365609 /nfs/dbraw/zinc/36/56/09/1071365609.db2.gz CJDSXWJDTDTSBT-JOCHJYFZSA-N 1 1 462.436 3.791 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001313859856 1071366539 /nfs/dbraw/zinc/36/65/39/1071366539.db2.gz LQFIJFCOMQBPOV-LEWJYISDSA-N 1 1 468.646 3.516 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314926828 1071370032 /nfs/dbraw/zinc/37/00/32/1071370032.db2.gz FMEHUVLCCYXOJT-VXKWHMMOSA-N 1 1 497.688 3.878 20 0 JHADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001314926751 1071370127 /nfs/dbraw/zinc/37/01/27/1071370127.db2.gz INPVXAAEGMCPJQ-RUZDIDTESA-N 1 1 473.687 3.553 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(F)F)C[C@@H]1C ZINC001313860708 1071370708 /nfs/dbraw/zinc/37/07/08/1071370708.db2.gz KWQRONJSCMKYTP-HOTGVXAUSA-N 1 1 483.633 3.511 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862657 1071377099 /nfs/dbraw/zinc/37/70/99/1071377099.db2.gz IMDNTCRGWWRGER-MOPGFXCFSA-N 1 1 494.644 3.993 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@H]1C ZINC001313861211 1071373063 /nfs/dbraw/zinc/37/30/63/1071373063.db2.gz PHPNCIYJEDVGPQ-RTBURBONSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313861386 1071374173 /nfs/dbraw/zinc/37/41/73/1071374173.db2.gz PGZNFZKJVIMZAY-VQTJNVASSA-N 1 1 498.672 3.720 20 0 JHADMO C[N@H+]1CCN(CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001314931382 1071375504 /nfs/dbraw/zinc/37/55/04/1071375504.db2.gz SFHLGZGUJVCROC-UHFFFAOYSA-N 1 1 498.569 3.801 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313863835 1071383205 /nfs/dbraw/zinc/38/32/05/1071383205.db2.gz UDJDGRMENDEUGA-FGTMMUONSA-N 1 1 486.558 3.970 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313863562 1071382533 /nfs/dbraw/zinc/38/25/33/1071382533.db2.gz WHPHTESNQFFPDY-HZPDHXFCSA-N 1 1 488.434 3.601 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313862772 1071378094 /nfs/dbraw/zinc/37/80/94/1071378094.db2.gz RJPHEXPGPHBFDW-OKZBNKHCSA-N 1 1 469.552 3.988 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313862670 1071378623 /nfs/dbraw/zinc/37/86/23/1071378623.db2.gz UEWBYIXBVGJRRP-HOTGVXAUSA-N 1 1 473.565 3.610 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863233 1071380386 /nfs/dbraw/zinc/38/03/86/1071380386.db2.gz SFSBPIYXDROUKC-ZJOUEHCJSA-N 1 1 451.619 3.736 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314933550 1071380510 /nfs/dbraw/zinc/38/05/10/1071380510.db2.gz DICGOEPJOYPABW-UHFFFAOYSA-N 1 1 491.478 3.790 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863231 1071380699 /nfs/dbraw/zinc/38/06/99/1071380699.db2.gz SFSBPIYXDROUKC-IRFCIJBXSA-N 1 1 451.619 3.736 20 0 JHADMO 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20 0 JHADMO Cn1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(Br)c1=O ZINC001310435951 1071389172 /nfs/dbraw/zinc/38/91/72/1071389172.db2.gz PYGOQPWWDAUTMQ-QGZVFWFLSA-N 1 1 459.388 3.572 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@H]1C ZINC001313865027 1071389998 /nfs/dbraw/zinc/38/99/98/1071389998.db2.gz NOGBQNDTWDVVFU-ZIAGYGMSSA-N 1 1 462.421 3.526 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313866945 1071397468 /nfs/dbraw/zinc/39/74/68/1071397468.db2.gz RIMXMWYFOWGYOY-RBUKOAKNSA-N 1 1 486.665 3.738 20 0 JHADMO CCOC(=O)c1cc2cc(NC(=O)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2s1 ZINC001310453878 1071398263 /nfs/dbraw/zinc/39/82/63/1071398263.db2.gz RWURTYSXHGOENA-FQEVSTJZSA-N 1 1 453.564 3.966 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2Cc2conc2COC)C[C@H]1C ZINC001313867250 1071400039 /nfs/dbraw/zinc/40/00/39/1071400039.db2.gz ISSDAJNAHVPWKX-UXHICEINSA-N 1 1 452.603 3.555 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313867412 1071400097 /nfs/dbraw/zinc/40/00/97/1071400097.db2.gz KGAZRQZGGZYCEU-ZIFCJYIRSA-N 1 1 478.037 3.810 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867706 1071400854 /nfs/dbraw/zinc/40/08/54/1071400854.db2.gz AGQFTZSYNUCRLY-DLBZAZTESA-N 1 1 475.519 3.752 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001313868612 1071402389 /nfs/dbraw/zinc/40/23/89/1071402389.db2.gz MKAAYVAJFQNBBX-ROUUACIJSA-N 1 1 459.635 3.860 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001314945438 1071402870 /nfs/dbraw/zinc/40/28/70/1071402870.db2.gz JCRVJIFBAOCGJM-HXUWFJFHSA-N 1 1 480.682 3.780 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313868166 1071403525 /nfs/dbraw/zinc/40/35/25/1071403525.db2.gz BCGKBUZUPKZWHU-VCWGXOKSSA-N 1 1 455.647 3.858 20 0 JHADMO 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CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313869964 1071411527 /nfs/dbraw/zinc/41/15/27/1071411527.db2.gz DFFGYLUZNUDYFE-UXHICEINSA-N 1 1 499.059 3.910 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870047 1071411583 /nfs/dbraw/zinc/41/15/83/1071411583.db2.gz FBVAEWMMMXHWHH-VQTJNVASSA-N 1 1 478.645 3.781 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870179 1071412212 /nfs/dbraw/zinc/41/22/12/1071412212.db2.gz SUIKDACCVYVCEL-VQTJNVASSA-N 1 1 466.655 3.588 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@H]1C ZINC001313870397 1071413408 /nfs/dbraw/zinc/41/34/08/1071413408.db2.gz RCFYLRGYBGSDJD-MOPGFXCFSA-N 1 1 483.690 3.762 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@H]1C ZINC001313870635 1071414129 /nfs/dbraw/zinc/41/41/29/1071414129.db2.gz VEMCLPKJFTXSRX-RTBURBONSA-N 1 1 454.644 3.690 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313870599 1071414269 /nfs/dbraw/zinc/41/42/69/1071414269.db2.gz DZDRHNQFMIVKPV-DLBZAZTESA-N 1 1 474.531 3.972 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313871554 1071417584 /nfs/dbraw/zinc/41/75/84/1071417584.db2.gz UJZXGAVLKMJGHT-HZPDHXFCSA-N 1 1 487.555 3.657 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871781 1071418329 /nfs/dbraw/zinc/41/83/29/1071418329.db2.gz HLYUFJTTZNKCJH-QZTJIDSGSA-N 1 1 455.006 3.893 20 0 JHADMO 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 1071422706 /nfs/dbraw/zinc/42/27/06/1071422706.db2.gz XNRPVYRMVRHFPA-MSOLQXFVSA-N 1 1 459.635 3.860 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313872273 1071421106 /nfs/dbraw/zinc/42/11/06/1071421106.db2.gz VZYTYQVSNLZDQA-ONTIZHBOSA-N 1 1 483.661 3.669 20 0 JHADMO 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 1071421955 /nfs/dbraw/zinc/42/19/55/1071421955.db2.gz AXBDWFIZTTXADD-CEXWTWQISA-N 1 1 498.569 3.799 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314953604 1071425087 /nfs/dbraw/zinc/42/50/87/1071425087.db2.gz WEUSKPHIMXPQMV-MSOLQXFVSA-N 1 1 491.478 3.790 20 0 JHADMO Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC001310485895 1071425991 /nfs/dbraw/zinc/42/59/91/1071425991.db2.gz HWLNFGOKYAFMMQ-UHFFFAOYSA-N 1 1 450.587 3.978 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313874038 1071427202 /nfs/dbraw/zinc/42/72/02/1071427202.db2.gz FYQNTZJQDAMGST-RBUKOAKNSA-N 1 1 473.572 3.708 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313874314 1071427262 /nfs/dbraw/zinc/42/72/62/1071427262.db2.gz NLHPNLGCZACCSM-QZTJIDSGSA-N 1 1 461.054 3.604 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001313874170 1071427841 /nfs/dbraw/zinc/42/78/41/1071427841.db2.gz GJXGYJSSPYDBMC-ROUUACIJSA-N 1 1 458.010 3.520 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1)C[C@@H]1CCCCO1 ZINC001310490843 1071430139 /nfs/dbraw/zinc/43/01/39/1071430139.db2.gz PXBPTGZOWBOMIK-GOTSBHOMSA-N 1 1 456.562 3.953 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874742 1071430393 /nfs/dbraw/zinc/43/03/93/1071430393.db2.gz JVQADUFSPKBYIC-RBUKOAKNSA-N 1 1 474.675 3.538 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313875539 1071435395 /nfs/dbraw/zinc/43/53/95/1071435395.db2.gz MOQXLLBFRFRQFE-WOJBJXKFSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001313875539 1071435405 /nfs/dbraw/zinc/43/54/05/1071435405.db2.gz MOQXLLBFRFRQFE-WOJBJXKFSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001313875539 1071435411 /nfs/dbraw/zinc/43/54/11/1071435411.db2.gz MOQXLLBFRFRQFE-WOJBJXKFSA-N 1 1 480.661 3.877 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876971 1071439875 /nfs/dbraw/zinc/43/98/75/1071439875.db2.gz PSSXOEIMWZCARD-ZWKOTPCHSA-N 1 1 470.618 3.570 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@H]1C ZINC001313877048 1071439923 /nfs/dbraw/zinc/43/99/23/1071439923.db2.gz QXMSOHNMXQAINA-MOPGFXCFSA-N 1 1 456.664 3.687 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313877016 1071439951 /nfs/dbraw/zinc/43/99/51/1071439951.db2.gz QFPPABMIZZKHTN-PMACEKPBSA-N 1 1 472.037 3.943 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876130 1071436699 /nfs/dbraw/zinc/43/66/99/1071436699.db2.gz QZMVCUBPUZUBCY-ROUUACIJSA-N 1 1 470.559 3.811 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313876002 1071436754 /nfs/dbraw/zinc/43/67/54/1071436754.db2.gz NQQOZTBMXOZYCC-RTWAWAEBSA-N 1 1 464.614 3.845 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001314964977 1071444387 /nfs/dbraw/zinc/44/43/87/1071444387.db2.gz GRIMVBZXEPCZML-VWLOTQADSA-N 1 1 490.599 3.773 20 0 JHADMO 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 1071444575 /nfs/dbraw/zinc/44/45/75/1071444575.db2.gz WDIZOCUYKWCQIK-ONTIZHBOSA-N 1 1 485.677 3.732 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313878342 1071444609 /nfs/dbraw/zinc/44/46/09/1071444609.db2.gz UHRDZQYIOHSZTN-GBESFXJTSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313878787 1071445922 /nfs/dbraw/zinc/44/59/22/1071445922.db2.gz VRLKIABPQCJTDN-YADHBBJMSA-N 1 1 481.645 3.536 20 0 JHADMO 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 1071459615 /nfs/dbraw/zinc/45/96/15/1071459615.db2.gz AIZQRCFTPKAIQK-AQNXPRMDSA-N 1 1 456.660 3.819 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001313882878 1071459764 /nfs/dbraw/zinc/45/97/64/1071459764.db2.gz ARHRMUJRGBNMLR-FPOVZHCZSA-N 1 1 486.636 3.594 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001313882960 1071460811 /nfs/dbraw/zinc/46/08/11/1071460811.db2.gz BXAHHVJMYRKHOF-QTJGBDASSA-N 1 1 482.673 3.729 20 0 JHADMO 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 1071461326 /nfs/dbraw/zinc/46/13/26/1071461326.db2.gz HKHSLEIMUFIKRR-PWRODBHTSA-N 1 1 460.667 3.873 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001313883493 1071462001 /nfs/dbraw/zinc/46/20/01/1071462001.db2.gz IDVYUYHYWBAMBK-UYAOXDASSA-N 1 1 489.064 3.766 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)C1 ZINC001313884536 1071464106 /nfs/dbraw/zinc/46/41/06/1071464106.db2.gz QFIXGMKYRPQAMO-HNNXBMFYSA-N 1 1 451.413 3.698 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001313884786 1071464984 /nfs/dbraw/zinc/46/49/84/1071464984.db2.gz SYZKCYHZKPASRO-SJORKVTESA-N 1 1 469.540 3.743 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885499 1071467268 /nfs/dbraw/zinc/46/72/68/1071467268.db2.gz PGBOHNDCLNSXQI-FRQCXROJSA-N 1 1 495.409 3.701 20 0 JHADMO 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 1071468339 /nfs/dbraw/zinc/46/83/39/1071468339.db2.gz QOOCVXCZASZGKR-XBJMDHIQSA-N 1 1 485.673 3.907 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001314976376 1071468907 /nfs/dbraw/zinc/46/89/07/1071468907.db2.gz MXAPRVBEMSDAQK-OYRHEFFESA-N 1 1 477.657 3.648 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@H](CCOC)C2)C1 ZINC001313889723 1071480828 /nfs/dbraw/zinc/48/08/28/1071480828.db2.gz UOBYWHNTEAUINA-LEWJYISDSA-N 1 1 490.693 3.597 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(N(C)Cc3cc(Cl)ccc3OC)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001313889589 1071480866 /nfs/dbraw/zinc/48/08/66/1071480866.db2.gz IKRSVHRNZGQCSB-DFBJGRDBSA-N 1 1 492.064 3.959 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001314979689 1071479891 /nfs/dbraw/zinc/47/98/91/1071479891.db2.gz OVRUTPQEAYTJOF-UHFFFAOYSA-N 1 1 495.697 3.752 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001313890602 1071483107 /nfs/dbraw/zinc/48/31/07/1071483107.db2.gz NZHAUUWMTTVVJM-LJQANCHMSA-N 1 1 489.064 3.547 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001313891103 1071483814 /nfs/dbraw/zinc/48/38/14/1071483814.db2.gz RJUAEACMCYWJFL-AEFFLSMTSA-N 1 1 468.429 3.835 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001313890991 1071483849 /nfs/dbraw/zinc/48/38/49/1071483849.db2.gz RQQUHNIHKFRGGB-QTEQDKRBSA-N 1 1 455.647 3.704 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001313891128 1071484603 /nfs/dbraw/zinc/48/46/03/1071484603.db2.gz SPKVGPNVLNUFNF-IRLDBZIGSA-N 1 1 491.727 3.624 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313892834 1071488563 /nfs/dbraw/zinc/48/85/63/1071488563.db2.gz JCVFTURSRZJFSR-NJDAHSKKSA-N 1 1 475.609 3.672 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001313893643 1071490834 /nfs/dbraw/zinc/49/08/34/1071490834.db2.gz PGWMMBQNYQBZFF-LRXVAGHRSA-N 1 1 496.027 3.857 20 0 JHADMO 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 1071491606 /nfs/dbraw/zinc/49/16/06/1071491606.db2.gz QBEOZINQHOFRJW-MBDNFAEBSA-N 1 1 490.693 3.596 20 0 JHADMO CCN(C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[N@@H+](CC)C2)C1)CC(F)(F)F ZINC001313894312 1071493335 /nfs/dbraw/zinc/49/33/35/1071493335.db2.gz SFQMETKXHFSVMY-PMACEKPBSA-N 1 1 479.595 3.701 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001313895201 1071495755 /nfs/dbraw/zinc/49/57/55/1071495755.db2.gz YYAMQWDNJNEYPS-PCCBWWKXSA-N 1 1 486.636 3.735 20 0 JHADMO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2C[C@H]2CC[N@@H+](CC)C2)c2ccccc2c1=O ZINC001313895764 1071497947 /nfs/dbraw/zinc/49/79/47/1071497947.db2.gz VWNGTAIDZMUJPU-OALUTQOASA-N 1 1 483.686 3.595 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313897557 1071502882 /nfs/dbraw/zinc/50/28/82/1071502882.db2.gz YMCDRBJOODAYDF-RBUKOAKNSA-N 1 1 458.607 3.824 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313896363 1071499293 /nfs/dbraw/zinc/49/92/93/1071499293.db2.gz OGOWMLNQMGJCTF-DFQSSKMNSA-N 1 1 492.462 3.740 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001313896543 1071500343 /nfs/dbraw/zinc/50/03/43/1071500343.db2.gz FGVSLRXKIZFGHV-GDBMZVCRSA-N 1 1 454.438 3.932 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCC(=O)NC ZINC001313896864 1071501258 /nfs/dbraw/zinc/50/12/58/1071501258.db2.gz RXDBOZJXJZXLFG-MJGOQNOKSA-N 1 1 458.676 3.578 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001313897642 1071503412 /nfs/dbraw/zinc/50/34/12/1071503412.db2.gz ZZDPHBCNFDNVEU-SFHVURJKSA-N 1 1 467.445 3.505 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001313897977 1071504340 /nfs/dbraw/zinc/50/43/40/1071504340.db2.gz ZOHZNNJHQACLTL-HKUYNNGSSA-N 1 1 451.537 3.998 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001313899227 1071507814 /nfs/dbraw/zinc/50/78/14/1071507814.db2.gz HRXNADQUGDPNIS-KRWDZBQOSA-N 1 1 465.465 3.997 20 0 JHADMO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001313903129 1071514926 /nfs/dbraw/zinc/51/49/26/1071514926.db2.gz MFNOJMYDWBQNNO-FQEVSTJZSA-N 1 1 491.478 3.634 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001313903129 1071514939 /nfs/dbraw/zinc/51/49/39/1071514939.db2.gz MFNOJMYDWBQNNO-FQEVSTJZSA-N 1 1 491.478 3.634 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001313901253 1071510819 /nfs/dbraw/zinc/51/08/19/1071510819.db2.gz DTUXLLHXXSCUSI-FQEVSTJZSA-N 1 1 450.587 3.786 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313901693 1071511814 /nfs/dbraw/zinc/51/18/14/1071511814.db2.gz SRRBHLULGDVMOE-IRLDBZIGSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001313902579 1071513162 /nfs/dbraw/zinc/51/31/62/1071513162.db2.gz GQRTUOBXIVEQSD-IFMALSPDSA-N 1 1 451.619 3.830 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1 ZINC001313902944 1071514151 /nfs/dbraw/zinc/51/41/51/1071514151.db2.gz AOPQZUUPVFMXHV-FGTMMUONSA-N 1 1 468.593 3.769 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1C ZINC001313903517 1071515545 /nfs/dbraw/zinc/51/55/45/1071515545.db2.gz NAIKWOIDLKAMSH-HXUWFJFHSA-N 1 1 452.628 3.699 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314997800 1071517082 /nfs/dbraw/zinc/51/70/82/1071517082.db2.gz YINJIIJFCYODMM-FDFHNCONSA-N 1 1 484.714 3.962 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903980 1071517750 /nfs/dbraw/zinc/51/77/50/1071517750.db2.gz GJVYVCFFSQQHHT-FQEVSTJZSA-N 1 1 471.005 3.965 20 0 JHADMO CNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001314998399 1071518128 /nfs/dbraw/zinc/51/81/28/1071518128.db2.gz ILEFBKWYYDMLFU-JOCHJYFZSA-N 1 1 452.647 3.666 20 0 JHADMO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001314998636 1071518555 /nfs/dbraw/zinc/51/85/55/1071518555.db2.gz LYPMYLPNHFWPJK-QFIPXVFZSA-N 1 1 466.674 3.840 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906596 1071524259 /nfs/dbraw/zinc/52/42/59/1071524259.db2.gz ZWNZVJCNTUJANM-FGZHOGPDSA-N 1 1 498.672 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313906545 1071524272 /nfs/dbraw/zinc/52/42/72/1071524272.db2.gz XQAGCGMOWCKXNY-BHDDXSALSA-N 1 1 468.646 3.611 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313906651 1071524844 /nfs/dbraw/zinc/52/48/44/1071524844.db2.gz YHAXPMMYBHPHBM-QUCCMNQESA-N 1 1 457.619 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001313906635 1071524856 /nfs/dbraw/zinc/52/48/56/1071524856.db2.gz YDLCODMRUFCQEP-DENIHFKCSA-N 1 1 459.038 3.778 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313906787 1071525731 /nfs/dbraw/zinc/52/57/31/1071525731.db2.gz ZZMKKTZCUYEZGG-SFHVURJKSA-N 1 1 478.588 3.772 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905719 1071522063 /nfs/dbraw/zinc/52/20/63/1071522063.db2.gz QWFPYRFIMWGEOB-CWKRKGSWSA-N 1 1 459.610 3.818 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313906289 1071523523 /nfs/dbraw/zinc/52/35/23/1071523523.db2.gz PJFLMOQGMNTFEU-IBGZPJMESA-N 1 1 475.435 3.573 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 ZINC001313907310 1071527374 /nfs/dbraw/zinc/52/73/74/1071527374.db2.gz BQBCZXQUEGZIAR-FPOVZHCZSA-N 1 1 459.660 3.849 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001313907240 1071527407 /nfs/dbraw/zinc/52/74/07/1071527407.db2.gz ARLCDNJVNZDIKZ-SBUREZEXSA-N 1 1 463.001 3.574 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315002734 1071527682 /nfs/dbraw/zinc/52/76/82/1071527682.db2.gz HSECQAZULBFTGW-HXUWFJFHSA-N 1 1 470.687 3.573 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001313907574 1071528083 /nfs/dbraw/zinc/52/80/83/1071528083.db2.gz IHTGNJGKXGLKEC-WBVHZDCISA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001313909205 1071531953 /nfs/dbraw/zinc/53/19/53/1071531953.db2.gz CFTCKHXCCZQPAF-RTWAWAEBSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313909357 1071532513 /nfs/dbraw/zinc/53/25/13/1071532513.db2.gz OLCSTLUVVXRKOO-PKTZIBPZSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313909708 1071533075 /nfs/dbraw/zinc/53/30/75/1071533075.db2.gz UCVKFBDJVOEHRF-YVWKXTFCSA-N 1 1 467.536 3.984 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313909706 1071533273 /nfs/dbraw/zinc/53/32/73/1071533273.db2.gz UCVKFBDJVOEHRF-ILZDJORESA-N 1 1 467.536 3.984 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313909875 1071533987 /nfs/dbraw/zinc/53/39/87/1071533987.db2.gz SXVLCZVZRBRJPY-GMAHTHKFSA-N 1 1 468.646 3.605 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313910753 1071536639 /nfs/dbraw/zinc/53/66/39/1071536639.db2.gz GRQVGMRJVJWFHM-FCHUYYIVSA-N 1 1 459.610 3.513 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910626 1071535061 /nfs/dbraw/zinc/53/50/61/1071535061.db2.gz XQRCGXNDXDXMEO-REWPJTCUSA-N 1 1 496.681 3.739 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCOC)CC(C)C ZINC001313911655 1071537737 /nfs/dbraw/zinc/53/77/37/1071537737.db2.gz QHXYPFVKTDNYET-IBGZPJMESA-N 1 1 467.618 3.577 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911928 1071538373 /nfs/dbraw/zinc/53/83/73/1071538373.db2.gz STFWQTIFVINMJV-CEWLAPEOSA-N 1 1 469.634 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001313912875 1071541212 /nfs/dbraw/zinc/54/12/12/1071541212.db2.gz OIDJWMBKYUHAEL-RBBKRZOGSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001313912873 1071541226 /nfs/dbraw/zinc/54/12/26/1071541226.db2.gz OIDJWMBKYUHAEL-IRLDBZIGSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(CO)CC1 ZINC001313912974 1071541734 /nfs/dbraw/zinc/54/17/34/1071541734.db2.gz JRLJCCCZDSQVIK-HXUWFJFHSA-N 1 1 459.660 3.662 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315024875 1071548054 /nfs/dbraw/zinc/54/80/54/1071548054.db2.gz IHUQHZJDXSUOCF-MRXNPFEDSA-N 1 1 494.482 3.509 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001315024908 1071548155 /nfs/dbraw/zinc/54/81/55/1071548155.db2.gz IMDFXITVCTZLET-UHFFFAOYSA-N 1 1 466.674 3.833 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001313914337 1071546819 /nfs/dbraw/zinc/54/68/19/1071546819.db2.gz MMPMWHBXUJYOMP-OKYOBFRVSA-N 1 1 459.557 3.655 20 0 JHADMO 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 1071547527 /nfs/dbraw/zinc/54/75/27/1071547527.db2.gz NERDKMOWIMZOAA-ZCNNSNEGSA-N 1 1 460.667 3.753 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001315027072 1071553303 /nfs/dbraw/zinc/55/33/03/1071553303.db2.gz PBXKLRFLIFKTCV-SFHVURJKSA-N 1 1 477.053 3.690 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914760 1071548782 /nfs/dbraw/zinc/54/87/82/1071548782.db2.gz NPJCIUDDYJAJFN-PQNGQFLHSA-N 1 1 465.708 3.771 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313915251 1071550446 /nfs/dbraw/zinc/55/04/46/1071550446.db2.gz XEDRYDUSRHEUKX-QFIPXVFZSA-N 1 1 486.636 3.797 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921845 1071562702 /nfs/dbraw/zinc/56/27/02/1071562702.db2.gz SZBFJKXWCDSGFA-SFHVURJKSA-N 1 1 487.446 3.963 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3CCC(C)(F)F)CC2)CC1 ZINC001313923836 1071567967 /nfs/dbraw/zinc/56/79/67/1071567967.db2.gz UVWBRQTYNWVGSJ-UHFFFAOYSA-N 1 1 478.588 3.662 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313923885 1071569015 /nfs/dbraw/zinc/56/90/15/1071569015.db2.gz ACCDKUHUNRFMDP-YADHBBJMSA-N 1 1 484.689 3.861 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924242 1071569540 /nfs/dbraw/zinc/56/95/40/1071569540.db2.gz CYJSVWXWCWBGIK-OAQYLSRUSA-N 1 1 467.637 3.864 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001315036775 1071569729 /nfs/dbraw/zinc/56/97/29/1071569729.db2.gz TVUGMCZODJRQSD-IBGZPJMESA-N 1 1 451.619 3.653 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924806 1071571554 /nfs/dbraw/zinc/57/15/54/1071571554.db2.gz JCANUUFWULJOHN-ATIYNZHBSA-N 1 1 454.663 3.675 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313925036 1071572054 /nfs/dbraw/zinc/57/20/54/1071572054.db2.gz LIWVEHDABAKMHH-OFNKIYASSA-N 1 1 472.703 3.702 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313925205 1071572821 /nfs/dbraw/zinc/57/28/21/1071572821.db2.gz MUOASVZMIZSAMQ-OALUTQOASA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925426 1071573939 /nfs/dbraw/zinc/57/39/39/1071573939.db2.gz QCGLDSOFDCMISZ-QGZVFWFLSA-N 1 1 490.002 3.934 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925729 1071574152 /nfs/dbraw/zinc/57/41/52/1071574152.db2.gz BMIJPVNWESIISA-UPVQGACJSA-N 1 1 498.716 3.687 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926314 1071576078 /nfs/dbraw/zinc/57/60/78/1071576078.db2.gz XBONBKPBNJNLFS-OAQYLSRUSA-N 1 1 468.646 3.533 20 0 JHADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001315045816 1071577131 /nfs/dbraw/zinc/57/71/31/1071577131.db2.gz UTTFWVXPARMXIQ-HXUWFJFHSA-N 1 1 468.646 3.571 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927723 1071581322 /nfs/dbraw/zinc/58/13/22/1071581322.db2.gz JUAOKIBDSLSTOO-JTHBVZDNSA-N 1 1 461.658 3.914 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927344 1071579802 /nfs/dbraw/zinc/57/98/02/1071579802.db2.gz JSGJBKBUDHOTSM-WOJBJXKFSA-N 1 1 483.611 3.766 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927725 1071581375 /nfs/dbraw/zinc/58/13/75/1071581375.db2.gz JVOJJWFVJXQRRF-NRFANRHFSA-N 1 1 498.716 3.515 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928058 1071582480 /nfs/dbraw/zinc/58/24/80/1071582480.db2.gz NFIIVDRNXAYESI-UNMCSNQZSA-N 1 1 456.654 3.906 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928055 1071582619 /nfs/dbraw/zinc/58/26/19/1071582619.db2.gz NFIIVDRNXAYESI-IFMALSPDSA-N 1 1 456.654 3.906 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928895 1071585276 /nfs/dbraw/zinc/58/52/76/1071585276.db2.gz QEUKBOFUSAJWEP-KCZVDYSFSA-N 1 1 478.607 3.838 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001313930174 1071588781 /nfs/dbraw/zinc/58/87/81/1071588781.db2.gz VJSGIAJDJFFFAT-SFHVURJKSA-N 1 1 491.453 3.523 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CSC)c2)C[C@H]1C ZINC001313930886 1071590105 /nfs/dbraw/zinc/59/01/05/1071590105.db2.gz CZUWPWRBOXDNEG-NLFFAJNJSA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313931446 1071590188 /nfs/dbraw/zinc/59/01/88/1071590188.db2.gz DSFMCLSSOQRNKV-SFHVURJKSA-N 1 1 475.563 3.826 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313931020 1071590694 /nfs/dbraw/zinc/59/06/94/1071590694.db2.gz FFFRNQUUJFFDNU-MRXNPFEDSA-N 1 1 458.408 3.512 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC2CCCC2)C[C@H]1C ZINC001313931724 1071593181 /nfs/dbraw/zinc/59/31/81/1071593181.db2.gz HHGCBPBIVCQIRB-HXUWFJFHSA-N 1 1 488.702 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313931707 1071593361 /nfs/dbraw/zinc/59/33/61/1071593361.db2.gz SKZIWDOBHMKDRL-RBBKRZOGSA-N 1 1 482.673 3.824 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931853 1071593593 /nfs/dbraw/zinc/59/35/93/1071593593.db2.gz ZYVGKGDOEMKZKI-IBGZPJMESA-N 1 1 486.039 3.719 20 0 JHADMO CCn1cnnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313933396 1071597752 /nfs/dbraw/zinc/59/77/52/1071597752.db2.gz OIRCKKXDOIIYJD-AWEZNQCLSA-N 1 1 493.841 3.551 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933494 1071597875 /nfs/dbraw/zinc/59/78/75/1071597875.db2.gz ZBSYSMCRBFUNKN-QHCPKHFHSA-N 1 1 461.658 3.744 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313932552 1071595456 /nfs/dbraw/zinc/59/54/56/1071595456.db2.gz IHTBSALGUJSVKW-MZNJEOGPSA-N 1 1 481.563 3.509 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001313932765 1071596443 /nfs/dbraw/zinc/59/64/43/1071596443.db2.gz XGQMLGMGLKURNQ-QKNQBKEWSA-N 1 1 478.037 3.634 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCS2)C[C@@H]1C ZINC001313933618 1071598477 /nfs/dbraw/zinc/59/84/77/1071598477.db2.gz LTCOVEDPAHSZIR-YWZLYKJASA-N 1 1 467.481 3.862 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)Br)C[C@H]1C ZINC001313933906 1071599557 /nfs/dbraw/zinc/59/95/57/1071599557.db2.gz ONEQYEROPGVOTN-SNVBAGLBSA-N 1 1 482.171 3.554 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(F)(F)CC2)C[C@@H]1C ZINC001313934767 1071603617 /nfs/dbraw/zinc/60/36/17/1071603617.db2.gz VOXRKMXFFKFPGF-KRWDZBQOSA-N 1 1 481.613 3.705 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001313933935 1071600334 /nfs/dbraw/zinc/60/03/34/1071600334.db2.gz PEIXKEZQBWQDPM-OYHNWAKOSA-N 1 1 492.393 3.878 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934256 1071601767 /nfs/dbraw/zinc/60/17/67/1071601767.db2.gz SUGBYZUHCQQPAH-QRWLVFNGSA-N 1 1 499.548 3.737 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2)C[C@@H]1C ZINC001313935071 1071604181 /nfs/dbraw/zinc/60/41/81/1071604181.db2.gz WCVGDHODVJVWCE-INIZCTEOSA-N 1 1 473.419 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313936823 1071609544 /nfs/dbraw/zinc/60/95/44/1071609544.db2.gz IJQTZQOMSGROHU-DENIHFKCSA-N 1 1 457.619 3.700 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)C[C@H]1C ZINC001313935536 1071605430 /nfs/dbraw/zinc/60/54/30/1071605430.db2.gz HDDQWQQMLLGNFA-OAHLLOKOSA-N 1 1 453.509 3.835 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@H]1C ZINC001313937030 1071609575 /nfs/dbraw/zinc/60/95/75/1071609575.db2.gz JZOUYGQMQWJWFO-MOPGFXCFSA-N 1 1 464.655 3.553 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@H]1C ZINC001313935185 1071605450 /nfs/dbraw/zinc/60/54/50/1071605450.db2.gz FJXRTIJMJXVDGN-JXALWOEJSA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)COC)C[C@H]1C ZINC001313935411 1071605473 /nfs/dbraw/zinc/60/54/73/1071605473.db2.gz ZDVBOIQCOWKLHJ-HZPDHXFCSA-N 1 1 466.424 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313935591 1071606747 /nfs/dbraw/zinc/60/67/47/1071606747.db2.gz ITNLIDJZPOYGRN-KRWDZBQOSA-N 1 1 455.404 3.990 20 0 JHADMO CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313936632 1071609033 /nfs/dbraw/zinc/60/90/33/1071609033.db2.gz HDNBRPKPZSPFBL-BDTNDASRSA-N 1 1 491.725 3.653 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313937137 1071610197 /nfs/dbraw/zinc/61/01/97/1071610197.db2.gz TYXGIGWZYDEOHS-MRXNPFEDSA-N 1 1 487.450 3.633 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313937301 1071610860 /nfs/dbraw/zinc/61/08/60/1071610860.db2.gz DVSPPJCZMLHWTL-UZLBHIALSA-N 1 1 464.536 3.935 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)OC)C[C@@H]1C ZINC001313940599 1071615554 /nfs/dbraw/zinc/61/55/54/1071615554.db2.gz OPRSIMKYWRRCHQ-OALUTQOASA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001313940126 1071614026 /nfs/dbraw/zinc/61/40/26/1071614026.db2.gz GLTSJSOQWSQRAQ-KRWDZBQOSA-N 1 1 459.520 3.835 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313939779 1071614093 /nfs/dbraw/zinc/61/40/93/1071614093.db2.gz GPCUJVPHQNNZAH-LJQANCHMSA-N 1 1 460.667 3.941 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614156 /nfs/dbraw/zinc/61/41/56/1071614156.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 1 1 452.672 3.981 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614160 /nfs/dbraw/zinc/61/41/60/1071614160.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 1 1 452.672 3.981 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001313940015 1071614165 /nfs/dbraw/zinc/61/41/65/1071614165.db2.gz JQAWUGFAJZFDKG-NLFFAJNJSA-N 1 1 492.064 3.587 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313940351 1071614849 /nfs/dbraw/zinc/61/48/49/1071614849.db2.gz WDLMGMYURSCRHG-RTBURBONSA-N 1 1 450.553 3.668 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313940343 1071614997 /nfs/dbraw/zinc/61/49/97/1071614997.db2.gz WCZGRACUBPUNFH-UXHICEINSA-N 1 1 469.634 3.518 20 0 JHADMO CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](CC)CC)C[C@@H]1C ZINC001313940330 1071615027 /nfs/dbraw/zinc/61/50/27/1071615027.db2.gz VWAPOYUKCMTORL-SIKLNZKXSA-N 1 1 455.676 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313940982 1071616327 /nfs/dbraw/zinc/61/63/27/1071616327.db2.gz RETBGJMOTCOPIP-HKBOAZHASA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cccc2SC)C[C@H]1C ZINC001313941420 1071617072 /nfs/dbraw/zinc/61/70/72/1071617072.db2.gz CRBQPTVHQQJYSR-GOSISDBHSA-N 1 1 457.623 3.579 20 0 JHADMO CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941472 1071617487 /nfs/dbraw/zinc/61/74/87/1071617487.db2.gz UYMNSUXKJISSAI-DHIUTWEWSA-N 1 1 468.690 3.867 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)C[C@H]1C ZINC001313942477 1071620347 /nfs/dbraw/zinc/62/03/47/1071620347.db2.gz IAXMEVIEXDVRQB-GGPKGHCWSA-N 1 1 474.675 3.997 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942577 1071620809 /nfs/dbraw/zinc/62/08/09/1071620809.db2.gz KDPGHUBCFULOOW-UYAOXDASSA-N 1 1 469.552 3.972 20 0 JHADMO CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942563 1071620896 /nfs/dbraw/zinc/62/08/96/1071620896.db2.gz KAAGIYXPJBITBY-GOTSBHOMSA-N 1 1 454.663 3.552 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2SC)C[C@@H]1C ZINC001313943102 1071621927 /nfs/dbraw/zinc/62/19/27/1071621927.db2.gz PRVJLUGKGUPJEP-INIZCTEOSA-N 1 1 488.658 3.709 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945687 1071626693 /nfs/dbraw/zinc/62/66/93/1071626693.db2.gz TWHHXBRJSOMZJR-GGAORHGYSA-N 1 1 454.663 3.531 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943306 1071622654 /nfs/dbraw/zinc/62/26/54/1071622654.db2.gz RKJBYSKDAGNKNV-HJOGWXRNSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943306 1071622655 /nfs/dbraw/zinc/62/26/55/1071622655.db2.gz RKJBYSKDAGNKNV-HJOGWXRNSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313943461 1071622727 /nfs/dbraw/zinc/62/27/27/1071622727.db2.gz RYNDPMHUHANYJC-JOCHJYFZSA-N 1 1 465.646 3.990 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001313943498 1071623161 /nfs/dbraw/zinc/62/31/61/1071623161.db2.gz SEWQRCVJRPIKGL-NTKDMRAZSA-N 1 1 455.628 3.665 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001313943493 1071623193 /nfs/dbraw/zinc/62/31/93/1071623193.db2.gz SEWQRCVJRPIKGL-CYFREDJKSA-N 1 1 455.628 3.665 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001313943970 1071623773 /nfs/dbraw/zinc/62/37/73/1071623773.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 1 1 491.478 3.634 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001313943970 1071623775 /nfs/dbraw/zinc/62/37/75/1071623775.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 1 1 491.478 3.634 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C(C)C)C[C@@H]1C ZINC001313943783 1071623834 /nfs/dbraw/zinc/62/38/34/1071623834.db2.gz VYBNYUAJBUWCTH-QFIPXVFZSA-N 1 1 465.646 3.873 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944203 1071624413 /nfs/dbraw/zinc/62/44/13/1071624413.db2.gz YRZTXWMEGYNSHU-LJQANCHMSA-N 1 1 494.606 3.868 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944250 1071624518 /nfs/dbraw/zinc/62/45/18/1071624518.db2.gz ZBJCAMXXXJHNCO-DHLKQENFSA-N 1 1 484.689 3.793 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(O)(CC)CC)C2)CC1 ZINC001313944794 1071624982 /nfs/dbraw/zinc/62/49/82/1071624982.db2.gz GNCTZIHCCPHOCM-DNQXCXABSA-N 1 1 498.716 3.802 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001313945113 1071625564 /nfs/dbraw/zinc/62/55/64/1071625564.db2.gz YINGCMYFBROZJU-PZJWPPBQSA-N 1 1 464.614 3.903 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945051 1071625579 /nfs/dbraw/zinc/62/55/79/1071625579.db2.gz GEXNYVOIBKBRDS-NQIIRXRSSA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945051 1071625583 /nfs/dbraw/zinc/62/55/83/1071625583.db2.gz GEXNYVOIBKBRDS-NQIIRXRSSA-N 1 1 457.022 3.949 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313946117 1071628069 /nfs/dbraw/zinc/62/80/69/1071628069.db2.gz NOSPKOZSBYAXFY-LJQANCHMSA-N 1 1 455.006 3.835 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313946572 1071629254 /nfs/dbraw/zinc/62/92/54/1071629254.db2.gz BLRPOEJLGYFZPZ-JOCHJYFZSA-N 1 1 470.662 3.518 20 0 JHADMO 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 1071629805 /nfs/dbraw/zinc/62/98/05/1071629805.db2.gz CGRVEAXPUVLXKU-HMXCVIKNSA-N 1 1 490.693 3.594 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)C[C@@H]1C ZINC001313946840 1071630460 /nfs/dbraw/zinc/63/04/60/1071630460.db2.gz CZOCOXPVSKZSMP-IBGZPJMESA-N 1 1 459.660 3.926 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631042 /nfs/dbraw/zinc/63/10/42/1071631042.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 1 1 472.703 3.984 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631051 /nfs/dbraw/zinc/63/10/51/1071631051.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 1 1 472.703 3.984 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc([C@@H](C)OC)n2)C[C@H]1C ZINC001313947423 1071631778 /nfs/dbraw/zinc/63/17/78/1071631778.db2.gz HCIFTFBFNFHNOW-QZTJIDSGSA-N 1 1 486.642 3.608 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313947735 1071632861 /nfs/dbraw/zinc/63/28/61/1071632861.db2.gz YHWARVZLRFXJRI-LJQANCHMSA-N 1 1 486.636 3.938 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)CC1 ZINC001313948537 1071634148 /nfs/dbraw/zinc/63/41/48/1071634148.db2.gz RCHGKCWTLOIBKK-LJQANCHMSA-N 1 1 493.071 3.954 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949169 1071635926 /nfs/dbraw/zinc/63/59/26/1071635926.db2.gz VOSQZIGJBNTXKS-QHCPKHFHSA-N 1 1 498.716 3.733 20 0 JHADMO 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 1071636373 /nfs/dbraw/zinc/63/63/73/1071636373.db2.gz QCFFYULMLZTZDZ-HJMATGOFSA-N 1 1 473.662 3.845 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313949669 1071636991 /nfs/dbraw/zinc/63/69/91/1071636991.db2.gz NRKCOVFGENWZNC-DHIUTWEWSA-N 1 1 489.108 3.800 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949766 1071637025 /nfs/dbraw/zinc/63/70/25/1071637025.db2.gz RPEXABHANOJWRD-FGZHOGPDSA-N 1 1 470.662 3.518 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCCC2)C[C@@H]1C ZINC001313950441 1071638820 /nfs/dbraw/zinc/63/88/20/1071638820.db2.gz VXGSSGJUTKRRSG-SFTDATJTSA-N 1 1 490.693 3.966 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313951261 1071641169 /nfs/dbraw/zinc/64/11/69/1071641169.db2.gz SIDHQLVQPGYLBL-XUZZJYLKSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951664 1071643056 /nfs/dbraw/zinc/64/30/56/1071643056.db2.gz ATYMSHGLTRXPFH-YADHBBJMSA-N 1 1 458.695 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952951 1071647233 /nfs/dbraw/zinc/64/72/33/1071647233.db2.gz VIHUBOVCXFTNSR-DNVJHFABSA-N 1 1 458.695 3.627 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001313953298 1071648391 /nfs/dbraw/zinc/64/83/91/1071648391.db2.gz XHGROFRRWVUZFF-UHFFFAOYSA-N 1 1 456.532 3.799 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953310 1071648432 /nfs/dbraw/zinc/64/84/32/1071648432.db2.gz XLDGHYRATVPWHN-IFMALSPDSA-N 1 1 472.703 3.762 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001313953255 1071648471 /nfs/dbraw/zinc/64/84/71/1071648471.db2.gz WQGQHNAPWJIVLJ-UHFFFAOYSA-N 1 1 466.674 3.919 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCO[C@@H](c4ccccc4C)C3)nnc2C(C)(C)C)CC1 ZINC001313953493 1071648981 /nfs/dbraw/zinc/64/89/81/1071648981.db2.gz GWTBBRCYPIMGBK-XMMPIXPASA-N 1 1 468.690 3.880 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313953693 1071649475 /nfs/dbraw/zinc/64/94/75/1071649475.db2.gz HXWRWFULGIRHLL-OAQYLSRUSA-N 1 1 495.510 3.816 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954255 1071651234 /nfs/dbraw/zinc/65/12/34/1071651234.db2.gz MNLJKNQGIPLDDE-FIXSFTCYSA-N 1 1 454.663 3.991 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313954482 1071651815 /nfs/dbraw/zinc/65/18/15/1071651815.db2.gz OSYMRYVGDSXFLW-HXUWFJFHSA-N 1 1 478.110 3.743 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954700 1071652556 /nfs/dbraw/zinc/65/25/56/1071652556.db2.gz CAORXEDJVSZDSA-AMGIVPHBSA-N 1 1 468.690 3.778 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954836 1071652839 /nfs/dbraw/zinc/65/28/39/1071652839.db2.gz QCXJQXBCQKDUGF-XZXRPQQYSA-N 1 1 486.730 3.754 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313954830 1071652916 /nfs/dbraw/zinc/65/29/16/1071652916.db2.gz QCULZOITKOAOTC-RLWLMLJZSA-N 1 1 460.711 3.851 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313955335 1071655483 /nfs/dbraw/zinc/65/54/83/1071655483.db2.gz RPLSROAAEVRBDR-PMACEKPBSA-N 1 1 455.676 3.816 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313956470 1071658177 /nfs/dbraw/zinc/65/81/77/1071658177.db2.gz MQUUZMQMLGMPAZ-VABKMULXSA-N 1 1 454.663 3.674 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956871 1071658736 /nfs/dbraw/zinc/65/87/36/1071658736.db2.gz OEJYBEHNGXEQHL-OAQYLSRUSA-N 1 1 482.076 3.827 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313956838 1071658842 /nfs/dbraw/zinc/65/88/42/1071658842.db2.gz NVWKEFYSZXELDS-OAQYLSRUSA-N 1 1 486.680 3.675 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC001313957529 1071660666 /nfs/dbraw/zinc/66/06/66/1071660666.db2.gz VYELVMCVMIQWFZ-RUZDIDTESA-N 1 1 482.717 3.732 20 0 JHADMO CCN1CC[NH+](CCCn2c(N3CC[C@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958461 1071663986 /nfs/dbraw/zinc/66/39/86/1071663986.db2.gz CGADYOMKZHOQIF-QFIPXVFZSA-N 1 1 454.663 3.606 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)C2)CC1 ZINC001313958564 1071664028 /nfs/dbraw/zinc/66/40/28/1071664028.db2.gz VACGBKBDMDJFML-SFHVURJKSA-N 1 1 461.452 3.581 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313958547 1071664165 /nfs/dbraw/zinc/66/41/65/1071664165.db2.gz UNUGUALAWHZZCS-UHFFFAOYSA-N 1 1 489.590 3.966 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958792 1071664565 /nfs/dbraw/zinc/66/45/65/1071664565.db2.gz YBGKMBYLEKULAL-OAQYLSRUSA-N 1 1 497.732 3.832 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313960636 1071670361 /nfs/dbraw/zinc/67/03/61/1071670361.db2.gz MCWUPMBQPYACJJ-IBGZPJMESA-N 1 1 461.054 3.630 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313960789 1071670948 /nfs/dbraw/zinc/67/09/48/1071670948.db2.gz MPWLMDKGRNCHST-DHIUTWEWSA-N 1 1 454.663 3.736 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313960790 1071671058 /nfs/dbraw/zinc/67/10/58/1071671058.db2.gz MPWLMDKGRNCHST-GOTSBHOMSA-N 1 1 454.663 3.736 20 0 JHADMO CCn1nc(-c2nnc(N(C)Cc3cccs3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313961746 1071673389 /nfs/dbraw/zinc/67/33/89/1071673389.db2.gz ZBASNOAWTPVODN-UHFFFAOYSA-N 1 1 465.627 3.713 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(OC)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961692 1071673512 /nfs/dbraw/zinc/67/35/12/1071673512.db2.gz XDUAHSPMDNOREX-UHFFFAOYSA-N 1 1 470.662 3.520 20 0 JHADMO CCn1nc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001313966105 1071685308 /nfs/dbraw/zinc/68/53/08/1071685308.db2.gz HNHFICXRMKPJBC-HXUWFJFHSA-N 1 1 495.672 3.658 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001313968307 1071692148 /nfs/dbraw/zinc/69/21/48/1071692148.db2.gz UHKPLBYSWLFYOC-JOCHJYFZSA-N 1 1 477.657 3.547 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001313973335 1071700223 /nfs/dbraw/zinc/70/02/23/1071700223.db2.gz DFUKPGZKGVFOHY-UHFFFAOYSA-N 1 1 458.676 3.547 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001313973546 1071701022 /nfs/dbraw/zinc/70/10/22/1071701022.db2.gz ZNZCUYQJYNKACU-UHFFFAOYSA-N 1 1 482.673 3.783 20 0 JHADMO CCNC(=O)C1(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCC1 ZINC001313978580 1071712646 /nfs/dbraw/zinc/71/26/46/1071712646.db2.gz NDEVKSWFVAXDSC-IBGZPJMESA-N 1 1 458.676 3.728 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001313984930 1071722639 /nfs/dbraw/zinc/72/26/39/1071722639.db2.gz INVSNOLCCXGDNI-OALUTQOASA-N 1 1 466.655 3.647 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313999929 1071736937 /nfs/dbraw/zinc/73/69/37/1071736937.db2.gz QMDYZSVVZZMGKN-QHCPKHFHSA-N 1 1 481.689 3.683 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314005319 1071741531 /nfs/dbraw/zinc/74/15/31/1071741531.db2.gz XWTCIZOSCOSJJQ-JOCHJYFZSA-N 1 1 499.729 3.851 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314012848 1071748770 /nfs/dbraw/zinc/74/87/70/1071748770.db2.gz AQFSOQAXLQMNPN-LJQANCHMSA-N 1 1 472.609 3.873 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001314016451 1071760153 /nfs/dbraw/zinc/76/01/53/1071760153.db2.gz JJNODYIAFCXCJB-QGZVFWFLSA-N 1 1 493.450 3.716 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314019595 1071768817 /nfs/dbraw/zinc/76/88/17/1071768817.db2.gz YHMXXLUTRWPDML-NRFANRHFSA-N 1 1 483.661 3.586 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001314019596 1071768905 /nfs/dbraw/zinc/76/89/05/1071768905.db2.gz YHMXXLUTRWPDML-OAQYLSRUSA-N 1 1 483.661 3.586 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001314025820 1071787013 /nfs/dbraw/zinc/78/70/13/1071787013.db2.gz DTZFGDOJVBEVEK-OAQYLSRUSA-N 1 1 483.661 3.956 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001314026260 1071788302 /nfs/dbraw/zinc/78/83/02/1071788302.db2.gz LTJHUBURHVVNOY-SFTDATJTSA-N 1 1 456.635 3.945 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001314026588 1071789403 /nfs/dbraw/zinc/78/94/03/1071789403.db2.gz RUTGHFHHSAOURK-RTBURBONSA-N 1 1 460.598 3.775 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)C1 ZINC001314033407 1071813424 /nfs/dbraw/zinc/81/34/24/1071813424.db2.gz OMQAPRQQOSKWGI-KRWDZBQOSA-N 1 1 475.956 3.658 20 0 JHADMO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001314043966 1071855348 /nfs/dbraw/zinc/85/53/48/1071855348.db2.gz HNQRBXQRTIDCFN-UNMCSNQZSA-N 1 1 488.652 3.589 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001314042801 1071850086 /nfs/dbraw/zinc/85/00/86/1071850086.db2.gz FNXOWVBUSTUIOM-CVEARBPZSA-N 1 1 467.456 3.780 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001314042804 1071850173 /nfs/dbraw/zinc/85/01/73/1071850173.db2.gz FNXOWVBUSTUIOM-JKSUJKDBSA-N 1 1 467.456 3.780 20 0 JHADMO CCOC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001314043964 1071854714 /nfs/dbraw/zinc/85/47/14/1071854714.db2.gz HNQRBXQRTIDCFN-RBBKRZOGSA-N 1 1 488.652 3.589 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314044644 1071857465 /nfs/dbraw/zinc/85/74/65/1071857465.db2.gz YKRIDDNLKCTJKS-HDICACEKSA-N 1 1 450.027 3.959 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314044644 1071857467 /nfs/dbraw/zinc/85/74/67/1071857467.db2.gz YKRIDDNLKCTJKS-HDICACEKSA-N 1 1 450.027 3.959 20 0 JHADMO CCOC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001314053075 1071875982 /nfs/dbraw/zinc/87/59/82/1071875982.db2.gz YFZJSSMAPFFBMV-UHFFFAOYSA-N 1 1 484.670 3.780 20 0 JHADMO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060693 1071896234 /nfs/dbraw/zinc/89/62/34/1071896234.db2.gz QNSGUVAXVVBCQW-NQHRYMMQSA-N 1 1 488.721 3.766 20 0 JHADMO CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060684 1071896477 /nfs/dbraw/zinc/89/64/77/1071896477.db2.gz QNSGUVAXVVBCQW-FTBPSBKWSA-N 1 1 488.721 3.766 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001314061063 1071897494 /nfs/dbraw/zinc/89/74/94/1071897494.db2.gz CVLUTPHFWLTXQB-WTGUMLROSA-N 1 1 475.638 3.757 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001314061054 1071897659 /nfs/dbraw/zinc/89/76/59/1071897659.db2.gz CVLUTPHFWLTXQB-HAGHYFMRSA-N 1 1 475.638 3.757 20 0 JHADMO 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 1071905363 /nfs/dbraw/zinc/90/53/63/1071905363.db2.gz QIIRPERNZSWMCM-OTWHNJEPSA-N 1 1 491.681 3.871 20 0 JHADMO 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 1071900748 /nfs/dbraw/zinc/90/07/48/1071900748.db2.gz YRFCWHQZWYUYES-QEUVDIPISA-N 1 1 489.665 3.655 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314083509 1071949508 /nfs/dbraw/zinc/94/95/08/1071949508.db2.gz IDZZMFRLFSSZBY-RUZDIDTESA-N 1 1 477.600 3.967 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCn2cc[nH+]c2C)CCOC1 ZINC001314084134 1071951006 /nfs/dbraw/zinc/95/10/06/1071951006.db2.gz VXQOEUOHGLJWOK-QFIPXVFZSA-N 1 1 478.519 3.791 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001314086745 1071958205 /nfs/dbraw/zinc/95/82/05/1071958205.db2.gz OKIVYIBXGSEMBH-VLIAUNLRSA-N 1 1 488.580 3.525 20 0 JHADMO CCO[C@@]1(c2nnc(N(CC)Cc3ccc(Cl)s3)n2CCn2cc[nH+]c2C)CCOC1 ZINC001314099751 1071982609 /nfs/dbraw/zinc/98/26/09/1071982609.db2.gz NFXFYMSHASXVGS-NRFANRHFSA-N 1 1 465.023 3.877 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(F)(F)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001314115378 1072013134 /nfs/dbraw/zinc/01/31/34/1072013134.db2.gz ZIIJISNAPXXHMX-SIKLNZKXSA-N 1 1 455.594 3.820 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(Cl)cc2OC)CCOC1 ZINC001314123943 1072029089 /nfs/dbraw/zinc/02/90/89/1072029089.db2.gz LGKVRMQOSCGFNC-RUZDIDTESA-N 1 1 492.064 3.951 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CCC(F)(F)CC2)CCOC1 ZINC001314123184 1072027611 /nfs/dbraw/zinc/02/76/11/1072027611.db2.gz INYBTSYYRVRTGM-QFIPXVFZSA-N 1 1 455.594 3.676 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2cccc(F)c2)CCOC1 ZINC001314123758 1072028478 /nfs/dbraw/zinc/02/84/78/1072028478.db2.gz JSYBSBKKBKOLOY-VWLOTQADSA-N 1 1 459.610 3.623 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCSC(F)(F)F)CCOC1 ZINC001314138203 1072049504 /nfs/dbraw/zinc/04/95/04/1072049504.db2.gz WZQOUCQBYDVRLK-GCJKJVERSA-N 1 1 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/nfs/dbraw/zinc/24/07/83/1069240783.db2.gz IHASDYQJUAHCNN-UHFFFAOYSA-N 1 1 459.978 3.634 20 0 JHADMO CCC[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001306576382 1069242320 /nfs/dbraw/zinc/24/23/20/1069242320.db2.gz ICYMPTYFFFRUGK-XUVXKRRUSA-N 1 1 487.649 3.985 20 0 JHADMO C[NH+]1CCN(CCCCNC(=O)Nc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001311040373 1069254761 /nfs/dbraw/zinc/25/47/61/1069254761.db2.gz IEPIGXSPYOJJGK-UHFFFAOYSA-N 1 1 452.422 3.722 20 0 JHADMO CCC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001306590575 1069259455 /nfs/dbraw/zinc/25/94/55/1069259455.db2.gz VEJGDJVBPDMWAH-NZQKXSOJSA-N 1 1 457.667 3.975 20 0 JHADMO 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 1069263312 /nfs/dbraw/zinc/26/33/12/1069263312.db2.gz SKZLLWNVLXZTGP-QFWMQHCXSA-N 1 1 455.647 3.958 20 0 JHADMO CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001306598199 1069273944 /nfs/dbraw/zinc/27/39/44/1069273944.db2.gz DDTAHKOWLRGGQW-PMACEKPBSA-N 1 1 488.702 3.695 20 0 JHADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC001311111869 1069276004 /nfs/dbraw/zinc/27/60/04/1069276004.db2.gz KGUWUXLXIDBERL-UHFFFAOYSA-N 1 1 458.916 3.552 20 0 JHADMO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311135432 1069281923 /nfs/dbraw/zinc/28/19/23/1069281923.db2.gz IBSVZIMFNBQGIU-LAUBAEHRSA-N 1 1 450.539 3.756 20 0 JHADMO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311135432 1069281933 /nfs/dbraw/zinc/28/19/33/1069281933.db2.gz IBSVZIMFNBQGIU-LAUBAEHRSA-N 1 1 450.539 3.756 20 0 JHADMO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CN1C(=O)OC(C)(C)C ZINC001311164828 1069287873 /nfs/dbraw/zinc/28/78/73/1069287873.db2.gz ZKYHCRDEVQGCIJ-SYYKKAFVSA-N 1 1 457.619 3.881 20 0 JHADMO COc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2nccc(OC)c2c1 ZINC001311182824 1069292129 /nfs/dbraw/zinc/29/21/29/1069292129.db2.gz UHKVJVCWJMBKLE-IBGZPJMESA-N 1 1 450.539 3.530 20 0 JHADMO COc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2nccc(OC)c2c1 ZINC001311182349 1069292203 /nfs/dbraw/zinc/29/22/03/1069292203.db2.gz OQHHBRYNQFRYLM-FQEVSTJZSA-N 1 1 450.539 3.665 20 0 JHADMO COC(=O)c1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(Cl)cc1NC(C)=O ZINC001311191815 1069294186 /nfs/dbraw/zinc/29/41/86/1069294186.db2.gz ZDBORTJSSQPYDG-SPLOXXLWSA-N 1 1 458.946 3.727 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCCCC2)CC[N@H+]1CCOC ZINC001306618536 1069302029 /nfs/dbraw/zinc/30/20/29/1069302029.db2.gz UNDZPTHKOKPETE-HSZRJFAPSA-N 1 1 485.673 3.976 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC[N@H+]1CCOC ZINC001306618972 1069303008 /nfs/dbraw/zinc/30/30/08/1069303008.db2.gz HRAJFSYHDBBPHP-FFCVWOAGSA-N 1 1 499.700 3.720 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@](C)(O)c2ccccc2Cl)CC[N@H+]1CCOC ZINC001306619619 1069304059 /nfs/dbraw/zinc/30/40/59/1069304059.db2.gz VVTMBZSGSVWODH-DVECYGJZSA-N 1 1 464.054 3.900 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@](C)(O)c2ccccc2Cl)CC[N@H+]1CCOC ZINC001306619620 1069304328 /nfs/dbraw/zinc/30/43/28/1069304328.db2.gz VVTMBZSGSVWODH-NTKDMRAZSA-N 1 1 464.054 3.900 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1CCOC ZINC001306620082 1069305125 /nfs/dbraw/zinc/30/51/25/1069305125.db2.gz XCGHAEVNHSDEIL-JOCHJYFZSA-N 1 1 485.677 3.655 20 0 JHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164433439 718978544 /nfs/dbraw/zinc/97/85/44/718978544.db2.gz LFOYSOWAMONWOI-FNZWTVRRSA-N 1 1 484.666 3.960 20 0 JHADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164616881 719005895 /nfs/dbraw/zinc/00/58/95/719005895.db2.gz ONPQNNOACWSFFZ-INIZCTEOSA-N 1 1 495.653 3.590 20 0 JHADMO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)CC1 ZINC001164613762 719024465 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LSDDZTZDTCSNJZ-UHFFFAOYSA-N 1 1 485.679 3.796 20 0 JHADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C[C@@H]3O2)n1 ZINC001164655391 719300537 /nfs/dbraw/zinc/30/05/37/719300537.db2.gz UAKKYIMQVIWMQF-BZSNNMDCSA-N 1 1 454.600 3.952 20 0 JHADMO O=C1CCCN1[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C[C@H]2CCCO[C@H]21 ZINC001164656416 719305091 /nfs/dbraw/zinc/30/50/91/719305091.db2.gz XCKQCBCXGDUEBY-RQBNJVACSA-N 1 1 495.693 3.772 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)C2)cc[nH+]1 ZINC001164666026 719357517 /nfs/dbraw/zinc/35/75/17/719357517.db2.gz ZZQZUJXCZCSCMT-QFIPXVFZSA-N 1 1 493.002 3.834 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)C2)cc[nH+]1 ZINC001164665775 719357692 /nfs/dbraw/zinc/35/76/92/719357692.db2.gz YVIXHIVZAFCUHF-QFIPXVFZSA-N 1 1 493.990 3.532 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ccnc(N(C)C)n2)C3)nc1 ZINC001164665378 719357819 /nfs/dbraw/zinc/35/78/19/719357819.db2.gz VPAOUDUMWFEKOT-WNCULLNHSA-N 1 1 479.673 3.608 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)C2)cc[nH+]1 ZINC001164663378 719357880 /nfs/dbraw/zinc/35/78/80/719357880.db2.gz DJEWLDGBBAOEMZ-QHCPKHFHSA-N 1 1 493.002 3.748 20 0 JHADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164663427 719359585 /nfs/dbraw/zinc/35/95/85/719359585.db2.gz FJPFYEOOACOHSC-UHFFFAOYSA-N 1 1 476.650 3.579 20 0 JHADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164663427 719359587 /nfs/dbraw/zinc/35/95/87/719359587.db2.gz FJPFYEOOACOHSC-UHFFFAOYSA-N 1 1 476.650 3.579 20 0 JHADMO CCn1nnc2c1[C@H](COC)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164665534 719361668 /nfs/dbraw/zinc/36/16/68/719361668.db2.gz YMKBBLYXTJKGKB-SJORKVTESA-N 1 1 481.670 3.774 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)c2c1C ZINC001164677084 719541838 /nfs/dbraw/zinc/54/18/38/719541838.db2.gz BOMOHUBHOOBSTO-AABGKKOBSA-N 1 1 469.655 3.510 20 0 JHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164686292 719712288 /nfs/dbraw/zinc/71/22/88/719712288.db2.gz YXLRKIWRQWRRIO-UHFFFAOYSA-N 1 1 458.340 3.662 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)c2c1C ZINC001164690369 719772336 /nfs/dbraw/zinc/77/23/36/719772336.db2.gz BAAIGXLFPAXJCO-UXHICEINSA-N 1 1 462.623 3.679 20 0 JHADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692007 719807635 /nfs/dbraw/zinc/80/76/35/719807635.db2.gz FBUGGICUSGBREI-UHFFFAOYSA-N 1 1 450.008 3.636 20 0 JHADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cn(C)nc21 ZINC001164697396 719832838 /nfs/dbraw/zinc/83/28/38/719832838.db2.gz XFKLRTKCRCMZDO-WMZOPIPTSA-N 1 1 466.655 3.896 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001164708248 719867938 /nfs/dbraw/zinc/86/79/38/719867938.db2.gz ZAUZBRSRCRRQBY-QYBDOPJKSA-N 1 1 482.531 3.808 20 0 JHADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696184 719896397 /nfs/dbraw/zinc/89/63/97/719896397.db2.gz ATCKSOZFTNIAJY-SNAWJCMRSA-N 1 1 452.580 3.682 20 0 JHADMO Cc1noc([C@@]23COC[C@H]2CN(c2nc(C[NH+](C)C)nc4scc(-c5ccccc5)c42)C3)n1 ZINC001164802400 720062467 /nfs/dbraw/zinc/06/24/67/720062467.db2.gz IBAWTJBJUBHUAQ-OSPHWJPCSA-N 1 1 462.579 3.516 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164710770 720102911 /nfs/dbraw/zinc/10/29/11/720102911.db2.gz MHZJUZDHRQLECX-HXUWFJFHSA-N 1 1 463.582 3.550 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164715490 720122387 /nfs/dbraw/zinc/12/23/87/720122387.db2.gz GIFCIMXWMLZLFT-KRWDZBQOSA-N 1 1 459.019 3.951 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH]c(Cl)cc3nc(C(=O)OC)cc1-3)CC2 ZINC001164710421 720130977 /nfs/dbraw/zinc/13/09/77/720130977.db2.gz BERFZRDRQWJJBP-SFHVURJKSA-N 1 1 484.000 3.905 20 0 JHADMO 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CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CCC2 ZINC001164814538 720240343 /nfs/dbraw/zinc/24/03/43/720240343.db2.gz XOQGNMNHLCQBQL-UHFFFAOYSA-N 1 1 456.953 3.743 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C2)C1 ZINC001164720500 720269377 /nfs/dbraw/zinc/26/93/77/720269377.db2.gz ACDOFWIJXPHJEQ-DEOSSOPVSA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C2)C1 ZINC001164720500 720269382 /nfs/dbraw/zinc/26/93/82/720269382.db2.gz ACDOFWIJXPHJEQ-DEOSSOPVSA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C2)C1 ZINC001164720806 720284926 /nfs/dbraw/zinc/28/49/26/720284926.db2.gz FCBWJAZHNLOXOS-MUUNZHRXSA-N 1 1 473.621 3.578 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C2)C1 ZINC001164720806 720284932 /nfs/dbraw/zinc/28/49/32/720284932.db2.gz FCBWJAZHNLOXOS-MUUNZHRXSA-N 1 1 473.621 3.578 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C2)C1 ZINC001164722007 720295047 /nfs/dbraw/zinc/29/50/47/720295047.db2.gz OKHKYIXTDPRXIL-SANMLTNESA-N 1 1 477.634 3.537 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C2)C1 ZINC001164722007 720295061 /nfs/dbraw/zinc/29/50/61/720295061.db2.gz OKHKYIXTDPRXIL-SANMLTNESA-N 1 1 477.634 3.537 20 0 JHADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1 ZINC001164819671 720308327 /nfs/dbraw/zinc/30/83/27/720308327.db2.gz FRXBBTNJQDLKDC-SXOMAYOGSA-N 1 1 473.665 3.551 20 0 JHADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1 ZINC001164819670 720308657 /nfs/dbraw/zinc/30/86/57/720308657.db2.gz FRXBBTNJQDLKDC-SVBPBHIXSA-N 1 1 473.665 3.551 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@@H]3C2)n1 ZINC001164828522 720422128 /nfs/dbraw/zinc/42/21/28/720422128.db2.gz WTAGVBLOTHUOLF-ZCNNSNEGSA-N 1 1 473.687 3.763 20 0 JHADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164824266 720422536 /nfs/dbraw/zinc/42/25/36/720422536.db2.gz KDBOZETZKPRMBN-SFHLNBCPSA-N 1 1 497.709 3.779 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2c1 ZINC001164835723 720514161 /nfs/dbraw/zinc/51/41/61/720514161.db2.gz KJLCPPIWRMGNSE-BBTUJRGHSA-N 1 1 468.989 3.644 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164835733 720523302 /nfs/dbraw/zinc/52/33/02/720523302.db2.gz KPLPFUKSQTVNGX-SOLBZPMBSA-N 1 1 467.948 3.641 20 0 JHADMO 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 720537300 /nfs/dbraw/zinc/53/73/00/720537300.db2.gz UDYNKUUGZLGWGS-GPMSIDNRSA-N 1 1 467.948 3.641 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734638 720538723 /nfs/dbraw/zinc/53/87/23/720538723.db2.gz JQDXHVHWGAHDGB-QDPGVEIFSA-N 1 1 471.605 3.884 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)C2)cc1 ZINC001164734638 720538729 /nfs/dbraw/zinc/53/87/29/720538729.db2.gz JQDXHVHWGAHDGB-QDPGVEIFSA-N 1 1 471.605 3.884 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@@H]21 ZINC001164837341 720639442 /nfs/dbraw/zinc/63/94/42/720639442.db2.gz IBWNSFYUWUPEBO-LNLFQRSKSA-N 1 1 482.963 3.946 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738098 720652405 /nfs/dbraw/zinc/65/24/05/720652405.db2.gz AFWBPFYAAHBEQH-UONOGXRCSA-N 1 1 467.307 3.613 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738098 720652421 /nfs/dbraw/zinc/65/24/21/720652421.db2.gz AFWBPFYAAHBEQH-UONOGXRCSA-N 1 1 467.307 3.613 20 0 JHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164740124 720660165 /nfs/dbraw/zinc/66/01/65/720660165.db2.gz QGEOQKVVXSSECW-PZJWPPBQSA-N 1 1 472.524 3.576 20 0 JHADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1Cl ZINC001164739324 720662109 /nfs/dbraw/zinc/66/21/09/720662109.db2.gz NALKTVPANNKYPO-NWDGAFQWSA-N 1 1 451.745 3.722 20 0 JHADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736798 720699203 /nfs/dbraw/zinc/69/92/03/720699203.db2.gz BGRRXTXVVDSFAX-YADHBBJMSA-N 1 1 485.979 3.991 20 0 JHADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)C1 ZINC001164836481 720712933 /nfs/dbraw/zinc/71/29/33/720712933.db2.gz BHQNDJBKSSEMLU-BJKOFHAPSA-N 1 1 493.652 3.516 20 0 JHADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741025 720718080 /nfs/dbraw/zinc/71/80/80/720718080.db2.gz RXSJAHAFZDMOPU-LADGPHEKSA-N 1 1 453.546 3.946 20 0 JHADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741027 720720127 /nfs/dbraw/zinc/72/01/27/720720127.db2.gz RXSJAHAFZDMOPU-UPVQGACJSA-N 1 1 453.546 3.946 20 0 JHADMO COc1cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164836189 720727436 /nfs/dbraw/zinc/72/74/36/720727436.db2.gz BXXLLRPEBSEWNS-QGZVFWFLSA-N 1 1 452.933 3.943 20 0 JHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)C2)cc1 ZINC001164847171 720773075 /nfs/dbraw/zinc/77/30/75/720773075.db2.gz LKHITWTXWRHDJR-NPAAKHOSSA-N 1 1 471.605 3.773 20 0 JHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)C2)cc1 ZINC001164847171 720773086 /nfs/dbraw/zinc/77/30/86/720773086.db2.gz LKHITWTXWRHDJR-NPAAKHOSSA-N 1 1 471.605 3.773 20 0 JHADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740970 720783916 /nfs/dbraw/zinc/78/39/16/720783916.db2.gz LUCWGURPAPDUFD-ZEQRLZLVSA-N 1 1 450.546 3.943 20 0 JHADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164745330 720802974 /nfs/dbraw/zinc/80/29/74/720802974.db2.gz JYKXKFLBUURKNX-WBVHZDCISA-N 1 1 459.337 3.708 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](NC(=O)C5CCC5)[C@@H]5COC[C@@H]53)n2)CCC4)CC1 ZINC001164850700 720803258 /nfs/dbraw/zinc/80/32/58/720803258.db2.gz VYWXUANSRKYCAR-ACRUOGEOSA-N 1 1 495.693 3.532 20 0 JHADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164851099 720803354 /nfs/dbraw/zinc/80/33/54/720803354.db2.gz XMROGNAAJPYGPD-NJYVYQBISA-N 1 1 495.693 3.676 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](NC(=O)C5CCC5)[C@H]5COC[C@H]53)n2)CCC4)CC1 ZINC001164850720 720803369 /nfs/dbraw/zinc/80/33/69/720803369.db2.gz VYWXUANSRKYCAR-QHAWAJNXSA-N 1 1 495.693 3.532 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H](NC(=O)C5CCC5)[C@@H]5COC[C@@H]54)c23)C1 ZINC001164846269 720803414 /nfs/dbraw/zinc/80/34/14/720803414.db2.gz ITGLTEWMXIYZJU-SEVLPDGMSA-N 1 1 495.693 3.532 20 0 JHADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738368 720821289 /nfs/dbraw/zinc/82/12/89/720821289.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 1 1 483.664 3.611 20 0 JHADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738368 720821292 /nfs/dbraw/zinc/82/12/92/720821292.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 1 1 483.664 3.611 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)n1 ZINC001164846382 720822324 /nfs/dbraw/zinc/82/23/24/720822324.db2.gz FBYMLHSTDIWDPX-ACRUOGEOSA-N 1 1 493.633 3.710 20 0 JHADMO Clc1cnc2cc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2n1 ZINC001164745002 720824602 /nfs/dbraw/zinc/82/46/02/720824602.db2.gz VVHORGWBKWCDMZ-JXXFODFXSA-N 1 1 458.397 3.908 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)C1 ZINC001164744466 720827366 /nfs/dbraw/zinc/82/73/66/720827366.db2.gz ULYNEUMJNLIHGQ-WQZMEWCLSA-N 1 1 463.655 3.787 20 0 JHADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742053 720828033 /nfs/dbraw/zinc/82/80/33/720828033.db2.gz PFXXCBCLAOPCRC-ZMSDIMECSA-N 1 1 457.356 3.904 20 0 JHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164740042 720850962 /nfs/dbraw/zinc/85/09/62/720850962.db2.gz BQVGXXZDTBCOLH-CEWLAPEOSA-N 1 1 467.980 3.907 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753893 720859205 /nfs/dbraw/zinc/85/92/05/720859205.db2.gz ZAWDRSXNRMKPCS-ZMSDIMECSA-N 1 1 473.355 3.784 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743868 720859659 /nfs/dbraw/zinc/85/96/59/720859659.db2.gz APZIFPAVECLBIE-VAMGGRTRSA-N 1 1 496.015 3.902 20 0 JHADMO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751040 720860465 /nfs/dbraw/zinc/86/04/65/720860465.db2.gz PVDAXSAWIDZLEG-FRQCXROJSA-N 1 1 458.397 3.908 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164855424 720864406 /nfs/dbraw/zinc/86/44/06/720864406.db2.gz 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C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5O[C@@H](C(=O)NCC6CC6)C[C@@H]54)c23)C1 ZINC001164887164 721459122 /nfs/dbraw/zinc/45/91/22/721459122.db2.gz IZUSOYPJESISAT-MBPVOVBZSA-N 1 1 495.693 3.674 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164786270 721465256 /nfs/dbraw/zinc/46/52/56/721465256.db2.gz AGPZZSJFLBFTLW-DEOSSOPVSA-N 1 1 467.610 3.755 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164786289 721467443 /nfs/dbraw/zinc/46/74/43/721467443.db2.gz ARKCWVDTONWLGF-GOSISDBHSA-N 1 1 485.019 3.898 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164791174 721469489 /nfs/dbraw/zinc/46/94/89/721469489.db2.gz UYFQMYZCPCPFOW-QFIPXVFZSA-N 1 1 496.652 3.895 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164790132 721469572 /nfs/dbraw/zinc/46/95/72/721469572.db2.gz ROYNSJNPIMWDPB-QFIPXVFZSA-N 1 1 496.652 3.895 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164789491 721470116 /nfs/dbraw/zinc/47/01/16/721470116.db2.gz NFVZVDPBUNVRMV-NRFANRHFSA-N 1 1 471.671 3.951 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164892558 721471477 /nfs/dbraw/zinc/47/14/77/721471477.db2.gz GJLIZIGLSHIDNH-QFIPXVFZSA-N 1 1 490.608 3.509 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)c2c1C ZINC001164792443 721487595 /nfs/dbraw/zinc/48/75/95/721487595.db2.gz JFTVXPKAFYAJCE-AVRWGWEMSA-N 1 1 483.613 3.970 20 0 JHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164795956 721498593 /nfs/dbraw/zinc/49/85/93/721498593.db2.gz NUTQAVCBBCEWNT-UHFFFAOYSA-N 1 1 451.615 3.835 20 0 JHADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908831 721534381 /nfs/dbraw/zinc/53/43/81/721534381.db2.gz QRZPRYBEYMGEHM-JTHBVZDNSA-N 1 1 492.599 3.729 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](Oc6cccc(F)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164911351 721550785 /nfs/dbraw/zinc/55/07/85/721550785.db2.gz YYSQWTSPEOPHFF-URXFXBBRSA-N 1 1 488.563 3.727 20 0 JHADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908240 721556181 /nfs/dbraw/zinc/55/61/81/721556181.db2.gz QANWEMPSGQOMHB-TZIWHRDSSA-N 1 1 458.965 3.888 20 0 JHADMO CN(C)C(=O)[C@@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164901934 721570081 /nfs/dbraw/zinc/57/00/81/721570081.db2.gz HLNGEBFLVFAMBH-SFHVURJKSA-N 1 1 453.656 3.861 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164809399 721571936 /nfs/dbraw/zinc/57/19/36/721571936.db2.gz WWWSNVRAXQZJCM-QMTMVMCOSA-N 1 1 458.340 3.678 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164809399 721571939 /nfs/dbraw/zinc/57/19/39/721571939.db2.gz WWWSNVRAXQZJCM-QMTMVMCOSA-N 1 1 458.340 3.678 20 0 JHADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2C1=O ZINC001164903735 721575194 /nfs/dbraw/zinc/57/51/94/721575194.db2.gz RTRPCRAYNNCGNW-LEWJYISDSA-N 1 1 491.661 3.885 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164801550 721577342 /nfs/dbraw/zinc/57/73/42/721577342.db2.gz GVWRWCNCULAKNL-SDHSZQHLSA-N 1 1 452.562 3.955 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164801550 721577348 /nfs/dbraw/zinc/57/73/48/721577348.db2.gz GVWRWCNCULAKNL-SDHSZQHLSA-N 1 1 452.562 3.955 20 0 JHADMO FC1(F)CCN(c2nc3ccsc3c(N3CCOCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904267 721691962 /nfs/dbraw/zinc/69/19/62/721691962.db2.gz FBMWRVQZSZUMPY-HSZRJFAPSA-N 1 1 486.592 3.661 20 0 JHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911624 721736893 /nfs/dbraw/zinc/73/68/93/721736893.db2.gz JRKHSSNXROJSDX-YCRPNKLZSA-N 1 1 465.932 3.539 20 0 JHADMO 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O=C1[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CN1c1cccnc1 ZINC001165015694 721792127 /nfs/dbraw/zinc/79/21/27/721792127.db2.gz AVQRUHUHPJNUDO-FXAWDEMLSA-N 1 1 474.634 3.660 20 0 JHADMO c1cc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cs1 ZINC001164914203 721794941 /nfs/dbraw/zinc/79/49/41/721794941.db2.gz KSRNGESCHLSZRI-SANMLTNESA-N 1 1 473.602 3.861 20 0 JHADMO c1cc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cs1 ZINC001164914203 721794943 /nfs/dbraw/zinc/79/49/43/721794943.db2.gz KSRNGESCHLSZRI-SANMLTNESA-N 1 1 473.602 3.861 20 0 JHADMO CC(=O)Oc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC(C)=O ZINC001165020813 721819465 /nfs/dbraw/zinc/81/94/65/721819465.db2.gz DHNGYYDURVLYHR-NGYIFUPDSA-N 1 1 489.576 3.612 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c2c1C ZINC001164928118 721840154 /nfs/dbraw/zinc/84/01/54/721840154.db2.gz WGJHMNSBAWKJRJ-FQRUVTKNSA-N 1 1 479.650 3.969 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[C@H]3CC[N@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932852 721879331 /nfs/dbraw/zinc/87/93/31/721879331.db2.gz KCLCVYIOPVZUJU-LEWJYISDSA-N 1 1 468.715 3.627 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[C@H]3CCN5CC[NH+](C)C)n2)CCC4)CC1 ZINC001164932852 721879332 /nfs/dbraw/zinc/87/93/32/721879332.db2.gz KCLCVYIOPVZUJU-LEWJYISDSA-N 1 1 468.715 3.627 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932555 721880122 /nfs/dbraw/zinc/88/01/22/721880122.db2.gz JBAPEYXIRBVTLD-UXHICEINSA-N 1 1 479.650 3.592 20 0 JHADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932555 721880123 /nfs/dbraw/zinc/88/01/23/721880123.db2.gz JBAPEYXIRBVTLD-UXHICEINSA-N 1 1 479.650 3.592 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164934819 721880256 /nfs/dbraw/zinc/88/02/56/721880256.db2.gz UPSGPVXEIFTMDY-HMXCVIKNSA-N 1 1 468.715 3.627 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[C@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164934819 721880258 /nfs/dbraw/zinc/88/02/58/721880258.db2.gz UPSGPVXEIFTMDY-HMXCVIKNSA-N 1 1 468.715 3.627 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935415 721909658 /nfs/dbraw/zinc/90/96/58/721909658.db2.gz IGOACZPVBJLVFH-DEOSSOPVSA-N 1 1 452.647 3.624 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935416 721909724 /nfs/dbraw/zinc/90/97/24/721909724.db2.gz IGOACZPVBJLVFH-XMMPIXPASA-N 1 1 452.647 3.624 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C(=O)OCC ZINC001164941813 721933732 /nfs/dbraw/zinc/93/37/32/721933732.db2.gz JQQLDVUWEZIOAV-UHFFFAOYSA-N 1 1 481.593 3.615 20 0 JHADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1C(=O)OCC ZINC001164941783 721933906 /nfs/dbraw/zinc/93/39/06/721933906.db2.gz JDJREEBFEPARCE-UHFFFAOYSA-N 1 1 481.593 3.615 20 0 JHADMO 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O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164949848 721979471 /nfs/dbraw/zinc/97/94/71/721979471.db2.gz QRZZFBKBFOBEGG-UHFFFAOYSA-N 1 1 465.960 3.907 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164949848 721979473 /nfs/dbraw/zinc/97/94/73/721979473.db2.gz QRZZFBKBFOBEGG-UHFFFAOYSA-N 1 1 465.960 3.907 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050797 721981792 /nfs/dbraw/zinc/98/17/92/721981792.db2.gz WROADESGYYAVKX-URXFXBBRSA-N 1 1 450.583 3.507 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)n1 ZINC001164955790 722009926 /nfs/dbraw/zinc/00/99/26/722009926.db2.gz ZHWFVDHXHNWLLE-HOYKHHGWSA-N 1 1 474.675 3.549 20 0 JHADMO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955082 722012735 /nfs/dbraw/zinc/01/27/35/722012735.db2.gz SUJCCDSMEFAQCS-UHFFFAOYSA-N 1 1 465.932 3.739 20 0 JHADMO 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CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001306664839 1069390534 /nfs/dbraw/zinc/39/05/34/1069390534.db2.gz KJHPZAHDZANSBX-XZOQPEGZSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001306669564 1069396822 /nfs/dbraw/zinc/39/68/22/1069396822.db2.gz KTAAFMWKUZTQFL-LJQANCHMSA-N 1 1 456.816 3.664 20 0 JHADMO Cc1cc(N2CCC(NC(=O)[C@@H](C)CC(=O)c3cccc(Br)c3)CC2)nc(C)[nH+]1 ZINC001306672439 1069397925 /nfs/dbraw/zinc/39/79/25/1069397925.db2.gz WPXPZOSZZDOFNK-AWEZNQCLSA-N 1 1 459.388 3.850 20 0 JHADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC001311492921 1069403620 /nfs/dbraw/zinc/40/36/20/1069403620.db2.gz GUVRAIUQBPGFQH-MRXNPFEDSA-N 1 1 450.509 3.781 20 0 JHADMO CCCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306676299 1069400864 /nfs/dbraw/zinc/40/08/64/1069400864.db2.gz GXHICPZVNVNPBG-VWLOTQADSA-N 1 1 481.733 4.000 20 0 JHADMO CCCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001306676299 1069400868 /nfs/dbraw/zinc/40/08/68/1069400868.db2.gz GXHICPZVNVNPBG-VWLOTQADSA-N 1 1 481.733 4.000 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001306678451 1069403060 /nfs/dbraw/zinc/40/30/60/1069403060.db2.gz BTUAJPBUCXVRKT-LJQANCHMSA-N 1 1 495.594 3.782 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CC1 ZINC001306678442 1069403140 /nfs/dbraw/zinc/40/31/40/1069403140.db2.gz BNJMXJHBZAKADY-FQEVSTJZSA-N 1 1 477.600 3.511 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC001311493445 1069404252 /nfs/dbraw/zinc/40/42/52/1069404252.db2.gz ASGMJMQMQCOADQ-CALCHBBNSA-N 1 1 450.505 3.752 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001306679395 1069405148 /nfs/dbraw/zinc/40/51/48/1069405148.db2.gz JFRVCDCEENSGMY-QUCCMNQESA-N 1 1 483.642 3.685 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CC1 ZINC001306679872 1069405861 /nfs/dbraw/zinc/40/58/61/1069405861.db2.gz LAINQBSZJBSSGY-UHFFFAOYSA-N 1 1 479.467 3.899 20 0 JHADMO CCc1cc(N2CCC(NC(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)CC2)ncn1 ZINC001311496446 1069406284 /nfs/dbraw/zinc/40/62/84/1069406284.db2.gz NHAXWJFKTXKACR-HXUWFJFHSA-N 1 1 450.631 3.882 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)SC)CC1 ZINC001306680177 1069406511 /nfs/dbraw/zinc/40/65/11/1069406511.db2.gz UZXAHSUSBLRGPC-IBGZPJMESA-N 1 1 497.713 3.892 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)c(C)s2)CC1 ZINC001306680394 1069407065 /nfs/dbraw/zinc/40/70/65/1069407065.db2.gz NUVOEFFVOKUXMM-UHFFFAOYSA-N 1 1 487.718 3.778 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 ZINC001306680348 1069407090 /nfs/dbraw/zinc/40/70/90/1069407090.db2.gz WSGBDSUEKLZQJL-OAQYLSRUSA-N 1 1 474.600 3.698 20 0 JHADMO COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001311499053 1069408362 /nfs/dbraw/zinc/40/83/62/1069408362.db2.gz UFUYEUAYUOJMRA-YADARESESA-N 1 1 450.583 3.920 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001306680865 1069407816 /nfs/dbraw/zinc/40/78/16/1069407816.db2.gz PRXJGVMHXZALPJ-HSZRJFAPSA-N 1 1 487.714 3.891 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001306681601 1069411102 /nfs/dbraw/zinc/41/11/02/1069411102.db2.gz PCCOHNAMVZQEGA-LJQANCHMSA-N 1 1 459.038 3.825 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001306681857 1069411808 /nfs/dbraw/zinc/41/18/08/1069411808.db2.gz VTPCZUPTBOFAMW-MHECFPHRSA-N 1 1 479.572 3.663 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001306682183 1069412461 /nfs/dbraw/zinc/41/24/61/1069412461.db2.gz BZLRJXVSWFEEND-GOSISDBHSA-N 1 1 459.038 3.825 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001306680812 1069408578 /nfs/dbraw/zinc/40/85/78/1069408578.db2.gz GNBLGJOHUSTEOL-SFHVURJKSA-N 1 1 491.036 3.882 20 0 JHADMO Cc1ccc(NC(=O)C2(CNC(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CCCC2)cc1C ZINC001311511128 1069416438 /nfs/dbraw/zinc/41/64/38/1069416438.db2.gz NCCWFHFAVQGTLX-NHCUHLMSSA-N 1 1 458.647 3.989 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001306683370 1069416498 /nfs/dbraw/zinc/41/64/98/1069416498.db2.gz WWWLIYHRRIHDBA-UHFFFAOYSA-N 1 1 455.582 3.829 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001306683302 1069416505 /nfs/dbraw/zinc/41/65/05/1069416505.db2.gz WNZGTOWNNOFRJJ-SFHVURJKSA-N 1 1 491.478 3.805 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001306682270 1069413286 /nfs/dbraw/zinc/41/32/86/1069413286.db2.gz FMJPRAWKJZDMPL-LJQANCHMSA-N 1 1 459.982 3.600 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001306682643 1069413977 /nfs/dbraw/zinc/41/39/77/1069413977.db2.gz KLYUMUMKQMAHTN-AREMUKBSSA-N 1 1 452.647 3.691 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001306683620 1069418072 /nfs/dbraw/zinc/41/80/72/1069418072.db2.gz YIXMXXCAGBETNJ-UHFFFAOYSA-N 1 1 482.032 3.688 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001306686374 1069422602 /nfs/dbraw/zinc/42/26/02/1069422602.db2.gz CRLWMJFBCBONBS-UHFFFAOYSA-N 1 1 461.054 3.559 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001306685458 1069420868 /nfs/dbraw/zinc/42/08/68/1069420868.db2.gz DZAXUSJOOBHISX-HBMCJLEFSA-N 1 1 478.682 3.943 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC ZINC001306685580 1069421236 /nfs/dbraw/zinc/42/12/36/1069421236.db2.gz GYSHOOFJAGCCJU-VQTJNVASSA-N 1 1 464.655 3.697 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001306686199 1069422473 /nfs/dbraw/zinc/42/24/73/1069422473.db2.gz BYLPYERBLDVNNR-UHFFFAOYSA-N 1 1 450.587 3.561 20 0 JHADMO CCC(CC)[C@H](CNC(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001311531937 1069425756 /nfs/dbraw/zinc/42/57/56/1069425756.db2.gz CWWVWJIIEKQMDU-FQEVSTJZSA-N 1 1 454.656 3.602 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306689662 1069427213 /nfs/dbraw/zinc/42/72/13/1069427213.db2.gz XSIRTDRPRARFQZ-XMMPIXPASA-N 1 1 464.662 3.959 20 0 JHADMO CCCCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001306690865 1069428393 /nfs/dbraw/zinc/42/83/93/1069428393.db2.gz KDSDICQSFVWPSC-NRFANRHFSA-N 1 1 450.425 3.709 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1 ZINC001311556375 1069437614 /nfs/dbraw/zinc/43/76/14/1069437614.db2.gz PRZZAZUGMLGCRZ-HOFKKMOUSA-N 1 1 450.627 3.978 20 0 JHADMO CCN(CCCNC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1 ZINC001311556375 1069437620 /nfs/dbraw/zinc/43/76/20/1069437620.db2.gz PRZZAZUGMLGCRZ-HOFKKMOUSA-N 1 1 450.627 3.978 20 0 JHADMO CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001306701345 1069436714 /nfs/dbraw/zinc/43/67/14/1069436714.db2.gz WAMJUGRGUUFULX-INIZCTEOSA-N 1 1 465.440 3.536 20 0 JHADMO CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306703826 1069439628 /nfs/dbraw/zinc/43/96/28/1069439628.db2.gz OXQYVPKPMSNITG-DOTOQJQBSA-N 1 1 495.491 3.558 20 0 JHADMO COc1ccc(C[C@H]2CCCCN2C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC001311572242 1069444039 /nfs/dbraw/zinc/44/40/39/1069444039.db2.gz QNPDDUYYHUHCLT-GGAORHGYSA-N 1 1 456.656 3.852 20 0 JHADMO Cc1c(Br)cccc1CNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001311573519 1069444597 /nfs/dbraw/zinc/44/45/97/1069444597.db2.gz WCXQVEWXOZZJAV-SFHVURJKSA-N 1 1 451.434 3.607 20 0 JHADMO CCCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306718916 1069452256 /nfs/dbraw/zinc/45/22/56/1069452256.db2.gz JHYVRANPSGWPIG-NRFANRHFSA-N 1 1 457.667 3.836 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306721636 1069458514 /nfs/dbraw/zinc/45/85/14/1069458514.db2.gz CUGCUPXFSARCQB-FPOVZHCZSA-N 1 1 485.629 3.616 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001306722441 1069460373 /nfs/dbraw/zinc/46/03/73/1069460373.db2.gz LJRFJECPXUNBAQ-JOCHJYFZSA-N 1 1 498.672 3.722 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001306722414 1069460569 /nfs/dbraw/zinc/46/05/69/1069460569.db2.gz KYDZHKCYOAGISK-WMZOPIPTSA-N 1 1 494.482 3.509 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001306723148 1069462350 /nfs/dbraw/zinc/46/23/50/1069462350.db2.gz QHTUBOYROAZLTE-CPJSRVTESA-N 1 1 469.634 3.585 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 ZINC001306723278 1069462925 /nfs/dbraw/zinc/46/29/25/1069462925.db2.gz QORPSJWAUQEADP-RTBURBONSA-N 1 1 457.648 3.522 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001306723243 1069462953 /nfs/dbraw/zinc/46/29/53/1069462953.db2.gz PPURKDMMILTIDG-LEWJYISDSA-N 1 1 455.651 3.669 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306723346 1069463658 /nfs/dbraw/zinc/46/36/58/1069463658.db2.gz RSZJAGRXEFACGB-RLWLMLJZSA-N 1 1 483.661 3.975 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001306724038 1069464747 /nfs/dbraw/zinc/46/47/47/1069464747.db2.gz XKBQIQCEZYCSKT-QGZVFWFLSA-N 1 1 454.541 3.821 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306722824 1069461804 /nfs/dbraw/zinc/46/18/04/1069461804.db2.gz LMRBKDZECLTTIP-OALUTQOASA-N 1 1 459.038 3.955 20 0 JHADMO 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CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313900482 1071509407 /nfs/dbraw/zinc/50/94/07/1071509407.db2.gz OSVKTHMITQFKDF-FQEVSTJZSA-N 1 1 456.635 3.651 20 0 JHADMO 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 1071510208 /nfs/dbraw/zinc/51/02/08/1071510208.db2.gz RVGURAKRWSWRMF-ZCNNSNEGSA-N 1 1 460.667 3.654 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001313901952 1071512653 /nfs/dbraw/zinc/51/26/53/1071512653.db2.gz CHOVUCCWNVABPK-DEOSSOPVSA-N 1 1 466.674 3.679 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313901798 1071512726 /nfs/dbraw/zinc/51/27/26/1071512726.db2.gz HBMBXPTYBIIXTF-FPOVZHCZSA-N 1 1 485.677 3.898 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001313902162 1071513108 /nfs/dbraw/zinc/51/31/08/1071513108.db2.gz KFSLKZUBXNMVFQ-ICSRJNTNSA-N 1 1 471.650 3.887 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313902397 1071513183 /nfs/dbraw/zinc/51/31/83/1071513183.db2.gz XSTVZBUAGSJMIY-KRWDZBQOSA-N 1 1 459.392 3.740 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1SC ZINC001313904617 1071518176 /nfs/dbraw/zinc/51/81/76/1071518176.db2.gz RIUXXGXFXCEPBQ-OAQYLSRUSA-N 1 1 453.660 3.982 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001313904829 1071519714 /nfs/dbraw/zinc/51/97/14/1071519714.db2.gz UZKDZUWRUAAWRW-VAMGGRTRSA-N 1 1 469.634 3.564 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313906546 1071523958 /nfs/dbraw/zinc/52/39/58/1071523958.db2.gz XQAGCGMOWCKXNY-BHIFYINESA-N 1 1 468.646 3.611 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313906597 1071524036 /nfs/dbraw/zinc/52/40/36/1071524036.db2.gz ZWNZVJCNTUJANM-VXKWHMMOSA-N 1 1 498.672 3.830 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313906637 1071524981 /nfs/dbraw/zinc/52/49/81/1071524981.db2.gz YDLCODMRUFCQEP-SIKLNZKXSA-N 1 1 459.038 3.778 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315001813 1071525204 /nfs/dbraw/zinc/52/52/04/1071525204.db2.gz ODYTVSLACNKQPO-VXKWHMMOSA-N 1 1 466.674 3.536 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001315000403 1071521602 /nfs/dbraw/zinc/52/16/02/1071521602.db2.gz NQRDVXRRRCLJRQ-HXUWFJFHSA-N 1 1 459.038 3.681 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001313905983 1071522625 /nfs/dbraw/zinc/52/26/25/1071522625.db2.gz WXMUZMYSRFWEOR-NFBKMPQASA-N 1 1 482.673 3.696 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908091 1071529415 /nfs/dbraw/zinc/52/94/15/1071529415.db2.gz LVGRATSVTZETBV-QFIPXVFZSA-N 1 1 473.687 3.813 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313908538 1071530399 /nfs/dbraw/zinc/53/03/99/1071530399.db2.gz CYWDCPFCCNPEKI-WOJBJXKFSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313909235 1071531988 /nfs/dbraw/zinc/53/19/88/1071531988.db2.gz PZYWCJUBXQVLOY-GOTSBHOMSA-N 1 1 482.673 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001313910042 1071534073 /nfs/dbraw/zinc/53/40/73/1071534073.db2.gz UNFZZMQZIKRWPC-SFTDATJTSA-N 1 1 491.727 3.945 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O ZINC001313910137 1071534659 /nfs/dbraw/zinc/53/46/59/1071534659.db2.gz VHNCXGLUOBLZAD-GOEBONIOSA-N 1 1 453.418 3.826 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001313910625 1071535079 /nfs/dbraw/zinc/53/50/79/1071535079.db2.gz XQRCGXNDXDXMEO-OFNKIYASSA-N 1 1 496.681 3.739 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001313910581 1071535858 /nfs/dbraw/zinc/53/58/58/1071535858.db2.gz XCISZNVTXZLXDZ-MOPGFXCFSA-N 1 1 463.001 3.717 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313910588 1071535919 /nfs/dbraw/zinc/53/59/19/1071535919.db2.gz XCUCBWOOZDRONH-SFTDATJTSA-N 1 1 456.635 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313911814 1071538357 /nfs/dbraw/zinc/53/83/57/1071538357.db2.gz RGHAIEIOCFOEAI-UZKOGDIHSA-N 1 1 483.661 3.872 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911765 1071538418 /nfs/dbraw/zinc/53/84/18/1071538418.db2.gz LULSFQYTFRYHTH-QUCCMNQESA-N 1 1 499.603 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912614 1071540445 /nfs/dbraw/zinc/54/04/45/1071540445.db2.gz VCRNRBDLYANMBB-UXHICEINSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912616 1071540697 /nfs/dbraw/zinc/54/06/97/1071540697.db2.gz VCRNRBDLYANMBB-WOJBJXKFSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313912996 1071541768 /nfs/dbraw/zinc/54/17/68/1071541768.db2.gz PAYUMAUIJHVWEA-QHCPKHFHSA-N 1 1 466.674 3.746 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001313914334 1071546799 /nfs/dbraw/zinc/54/67/99/1071546799.db2.gz MMPMWHBXUJYOMP-MANSERQUSA-N 1 1 459.557 3.655 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001313914449 1071547424 /nfs/dbraw/zinc/54/74/24/1071547424.db2.gz NFKOCSNZYJEFQA-CPJSRVTESA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913505 1071543793 /nfs/dbraw/zinc/54/37/93/1071543793.db2.gz PRMMRKURZNWRJO-RTWAWAEBSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313913750 1071544253 /nfs/dbraw/zinc/54/42/53/1071544253.db2.gz LSDBIOHEKYZIJM-SFHVURJKSA-N 1 1 485.526 3.764 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001313913609 1071544500 /nfs/dbraw/zinc/54/45/00/1071544500.db2.gz QCMYVGSBOBNUKC-UNMCSNQZSA-N 1 1 477.650 3.609 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313914828 1071548813 /nfs/dbraw/zinc/54/88/13/1071548813.db2.gz OERJQVFYMZNYGO-IPMKNSEASA-N 1 1 487.611 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313915154 1071549970 /nfs/dbraw/zinc/54/99/70/1071549970.db2.gz QDFNUXYOSKUNCS-WMZOPIPTSA-N 1 1 495.455 3.740 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CC1=O ZINC001313916736 1071553509 /nfs/dbraw/zinc/55/35/09/1071553509.db2.gz JRKXZMPVPGZOTC-GOSISDBHSA-N 1 1 489.462 3.559 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001313916520 1071553035 /nfs/dbraw/zinc/55/30/35/1071553035.db2.gz YOWKXGWDUDXSAG-JOCHJYFZSA-N 1 1 482.673 3.735 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001315028198 1071555468 /nfs/dbraw/zinc/55/54/68/1071555468.db2.gz ANDCZXWJGXUSPZ-RBUKOAKNSA-N 1 1 452.603 3.774 20 0 JHADMO CCN1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001313918162 1071555741 /nfs/dbraw/zinc/55/57/41/1071555741.db2.gz YRLHDETXLVLQKY-GMAHTHKFSA-N 1 1 452.647 3.761 20 0 JHADMO CCN1CCCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001313918160 1071555887 /nfs/dbraw/zinc/55/58/87/1071555887.db2.gz YRLHDETXLVLQKY-FYYLOGMGSA-N 1 1 452.647 3.761 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919584 1071557493 /nfs/dbraw/zinc/55/74/93/1071557493.db2.gz CRGUVOOMQOUIIE-MJGOQNOKSA-N 1 1 480.629 3.514 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920534 1071559518 /nfs/dbraw/zinc/55/95/18/1071559518.db2.gz KEVDHCCLKATWSA-OAQYLSRUSA-N 1 1 470.662 3.759 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921843 1071562571 /nfs/dbraw/zinc/56/25/71/1071562571.db2.gz SZBFJKXWCDSGFA-GOSISDBHSA-N 1 1 487.446 3.963 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924393 1071570168 /nfs/dbraw/zinc/57/01/68/1071570168.db2.gz DSSWZXGBFSSKLN-OALUTQOASA-N 1 1 498.569 3.658 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCCC4)n3CCOC(C)(C)C)CC2)CC1 ZINC001313923858 1071568024 /nfs/dbraw/zinc/56/80/24/1071568024.db2.gz VGCRNHZLPRIABS-UHFFFAOYSA-N 1 1 474.694 3.521 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3C)CC2)CC1 ZINC001313924164 1071569759 /nfs/dbraw/zinc/56/97/59/1071569759.db2.gz ZQEGQOFZKWWSCD-HSZRJFAPSA-N 1 1 496.700 3.948 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926560 1071576873 /nfs/dbraw/zinc/57/68/73/1071576873.db2.gz DICBRDGYKYOVAY-SVFBPWRDSA-N 1 1 476.616 3.674 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927242 1071579337 /nfs/dbraw/zinc/57/93/37/1071579337.db2.gz JITIXGCFDVLYOP-HXUWFJFHSA-N 1 1 460.617 3.866 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313928590 1071583734 /nfs/dbraw/zinc/58/37/34/1071583734.db2.gz BTFVBNAMYXFVQR-IAGOWNOFSA-N 1 1 455.525 3.600 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313928477 1071583744 /nfs/dbraw/zinc/58/37/44/1071583744.db2.gz PIGKRSMLNBMHNV-CTNGQTDRSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313928479 1071583785 /nfs/dbraw/zinc/58/37/85/1071583785.db2.gz PIGKRSMLNBMHNV-PZJWPPBQSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928381 1071583842 /nfs/dbraw/zinc/58/38/42/1071583842.db2.gz BNTSAHQPHIWFRM-ISKFKSNPSA-N 1 1 498.716 3.801 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928618 1071584309 /nfs/dbraw/zinc/58/43/09/1071584309.db2.gz UNKJJLHPGQEVFZ-VXKWHMMOSA-N 1 1 489.709 3.757 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313928636 1071584402 /nfs/dbraw/zinc/58/44/02/1071584402.db2.gz CBXBKGTTZOSEIY-VQTJNVASSA-N 1 1 475.609 3.673 20 0 JHADMO CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929262 1071586759 /nfs/dbraw/zinc/58/67/59/1071586759.db2.gz FVQNHCDLCSFTDA-VQTJNVASSA-N 1 1 491.080 3.713 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001313929660 1071587495 /nfs/dbraw/zinc/58/74/95/1071587495.db2.gz ICSKWNJYXFVVLI-LLJLJFOGSA-N 1 1 457.550 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@@H]2CCCO2)C[C@H]1C ZINC001313929856 1071587896 /nfs/dbraw/zinc/58/78/96/1071587896.db2.gz ATCYNFPJZJHPDJ-SJORKVTESA-N 1 1 498.491 3.885 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929957 1071588020 /nfs/dbraw/zinc/58/80/20/1071588020.db2.gz ULJQBINEKGTLMZ-NRFANRHFSA-N 1 1 454.663 3.530 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930247 1071588734 /nfs/dbraw/zinc/58/87/34/1071588734.db2.gz AOVGJRGCJZBCAU-RXVVDRJESA-N 1 1 492.510 3.697 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930238 1071588901 /nfs/dbraw/zinc/58/89/01/1071588901.db2.gz AKYMXNWNPQBOPB-UWJYYQICSA-N 1 1 486.462 3.869 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(COC)cc2)C[C@@H]1C ZINC001313931521 1071592423 /nfs/dbraw/zinc/59/24/23/1071592423.db2.gz FCQMKBZUZZOUKF-KRWDZBQOSA-N 1 1 487.446 3.771 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001313931541 1071592448 /nfs/dbraw/zinc/59/24/48/1071592448.db2.gz FHAKINOCVKETTQ-DVECYGJZSA-N 1 1 476.691 3.672 20 0 JHADMO CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001313931423 1071591593 /nfs/dbraw/zinc/59/15/93/1071591593.db2.gz UBWNCIFDQMGHJG-QFIPXVFZSA-N 1 1 464.662 3.639 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931340 1071591652 /nfs/dbraw/zinc/59/16/52/1071591652.db2.gz XYALSEZLNJEXTL-IRLDBZIGSA-N 1 1 458.651 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931297 1071591799 /nfs/dbraw/zinc/59/17/99/1071591799.db2.gz QVXZTSGVGGJTBI-ROUUACIJSA-N 1 1 458.010 3.807 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313931823 1071593226 /nfs/dbraw/zinc/59/32/26/1071593226.db2.gz IWOJOHPRZBULQA-ZWKOTPCHSA-N 1 1 462.436 3.973 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C[C@H]1C ZINC001313931682 1071593275 /nfs/dbraw/zinc/59/32/75/1071593275.db2.gz SDEQTRXMLLUGLL-UZUQRXQVSA-N 1 1 477.078 3.678 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931970 1071593907 /nfs/dbraw/zinc/59/39/07/1071593907.db2.gz VISLCHXELGUUGN-KRWDZBQOSA-N 1 1 477.535 3.625 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(CSC)cc2)C[C@@H]1C ZINC001313932016 1071594308 /nfs/dbraw/zinc/59/43/08/1071594308.db2.gz GWSZPWWCDCZLTI-NBGIEHNGSA-N 1 1 473.687 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC2CCOCC2)C[C@H]1C ZINC001313933258 1071597790 /nfs/dbraw/zinc/59/77/90/1071597790.db2.gz ZNHHUSORQBHFJF-LJQANCHMSA-N 1 1 489.064 3.599 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313932377 1071595826 /nfs/dbraw/zinc/59/58/26/1071595826.db2.gz VHFOCDZAGNDMCH-RTWAWAEBSA-N 1 1 486.636 3.880 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@@H]1C ZINC001313932768 1071596067 /nfs/dbraw/zinc/59/60/67/1071596067.db2.gz IXGWXHMHFCEGCH-BKMJKUGQSA-N 1 1 455.647 3.709 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)C[C@H]1C ZINC001313933590 1071598318 /nfs/dbraw/zinc/59/83/18/1071598318.db2.gz PAVNCHOZRONOQE-QZTJIDSGSA-N 1 1 463.717 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)C[C@@H]1C ZINC001313933656 1071598334 /nfs/dbraw/zinc/59/83/34/1071598334.db2.gz PUHQLTKKRMKYCU-KRWDZBQOSA-N 1 1 460.420 3.893 20 0 JHADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313933931 1071600408 /nfs/dbraw/zinc/60/04/08/1071600408.db2.gz PAGQKICCIBSDSR-LXWOLXCRSA-N 1 1 498.716 3.979 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934255 1071601962 /nfs/dbraw/zinc/60/19/62/1071601962.db2.gz SUGBYZUHCQQPAH-MGPUTAFESA-N 1 1 499.548 3.737 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)C[C@@H]1C ZINC001313934999 1071604245 /nfs/dbraw/zinc/60/42/45/1071604245.db2.gz UQRYGQNRJXPYHG-HJOIGYKYSA-N 1 1 465.440 3.771 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604385 /nfs/dbraw/zinc/60/43/85/1071604385.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604386 /nfs/dbraw/zinc/60/43/86/1071604386.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 1 1 492.510 3.841 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313935573 1071606035 /nfs/dbraw/zinc/60/60/35/1071606035.db2.gz IGBXYYCGUQZRPO-FQEVSTJZSA-N 1 1 470.662 3.615 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2)C[C@H]1C ZINC001313935845 1071607394 /nfs/dbraw/zinc/60/73/94/1071607394.db2.gz ZYVORQSQIIQKJS-OAHLLOKOSA-N 1 1 459.392 3.623 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@H]1C ZINC001313935983 1071607957 /nfs/dbraw/zinc/60/79/57/1071607957.db2.gz AQTHVUFKTKTDPC-FGZHOGPDSA-N 1 1 492.709 3.986 20 0 JHADMO CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313936634 1071609063 /nfs/dbraw/zinc/60/90/63/1071609063.db2.gz HDNBRPKPZSPFBL-VSKRKVRLSA-N 1 1 491.725 3.653 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313937298 1071610173 /nfs/dbraw/zinc/61/01/73/1071610173.db2.gz DVSPPJCZMLHWTL-OXJNMPFZSA-N 1 1 464.536 3.935 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615587 /nfs/dbraw/zinc/61/55/87/1071615587.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615592 /nfs/dbraw/zinc/61/55/92/1071615592.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 1 1 459.708 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001313938988 1071612654 /nfs/dbraw/zinc/61/26/54/1071612654.db2.gz ZFVMEMSKXRUZIS-OXQOHEQNSA-N 1 1 451.974 3.922 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313940031 1071614171 /nfs/dbraw/zinc/61/41/71/1071614171.db2.gz UFCZUOSIKMZJOO-LJQANCHMSA-N 1 1 464.614 3.866 20 0 JHADMO 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 1071621474 /nfs/dbraw/zinc/62/14/74/1071621474.db2.gz MNOKAAURBVXWQL-SESVDKBCSA-N 1 1 484.645 3.636 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313941172 1071616305 /nfs/dbraw/zinc/61/63/05/1071616305.db2.gz ACJDBQNIONMFRD-SIKLNZKXSA-N 1 1 472.037 3.711 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(C)C)C2)CC1 ZINC001313946005 1071627483 /nfs/dbraw/zinc/62/74/83/1071627483.db2.gz XKHWJRKDNZVZLU-DHIUTWEWSA-N 1 1 454.663 3.907 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945324 1071626112 /nfs/dbraw/zinc/62/61/12/1071626112.db2.gz MZNMTRXKARQDFP-XUZZJYLKSA-N 1 1 468.690 3.741 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(F)c2)C[C@@H]1C ZINC001313946563 1071629323 /nfs/dbraw/zinc/62/93/23/1071629323.db2.gz BGRGYZHVUBMKTK-VLCRHTCISA-N 1 1 459.610 3.945 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@@H]1C ZINC001313946817 1071629798 /nfs/dbraw/zinc/62/97/98/1071629798.db2.gz CMHCYFURLVQFGJ-SKPFHBQLSA-N 1 1 459.610 3.978 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947445 1071631508 /nfs/dbraw/zinc/63/15/08/1071631508.db2.gz HHLJVECSHAMBPP-BWKNWUBXSA-N 1 1 484.689 3.907 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631608 /nfs/dbraw/zinc/63/16/08/1071631608.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 1 1 472.703 3.984 20 0 JHADMO CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631613 /nfs/dbraw/zinc/63/16/13/1071631613.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 1 1 472.703 3.984 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947265 1071631694 /nfs/dbraw/zinc/63/16/94/1071631694.db2.gz KCUGAJNKKCPENX-IBGZPJMESA-N 1 1 479.595 3.545 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCSCC(C)C)C2)CC1 ZINC001313948476 1071633956 /nfs/dbraw/zinc/63/39/56/1071633956.db2.gz QSQUXXHMKVYAHO-OAQYLSRUSA-N 1 1 450.741 3.862 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313948593 1071634109 /nfs/dbraw/zinc/63/41/09/1071634109.db2.gz LSLNSOHZMJXMHH-QHCPKHFHSA-N 1 1 499.773 3.683 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)Cc2ccccn2)CC1 ZINC001313948665 1071634466 /nfs/dbraw/zinc/63/44/66/1071634466.db2.gz FLUJWJNQZXNVLS-HXUWFJFHSA-N 1 1 498.075 3.912 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001313948748 1071634565 /nfs/dbraw/zinc/63/45/65/1071634565.db2.gz HPWSYRDFLODOAJ-YKSBVNFPSA-N 1 1 493.121 3.601 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313950610 1071639432 /nfs/dbraw/zinc/63/94/32/1071639432.db2.gz AKXSSYOPGKWDAX-RTBURBONSA-N 1 1 492.510 3.556 20 0 JHADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313949767 1071636947 /nfs/dbraw/zinc/63/69/47/1071636947.db2.gz RPEXABHANOJWRD-VXKWHMMOSA-N 1 1 470.662 3.518 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313950362 1071638208 /nfs/dbraw/zinc/63/82/08/1071638208.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 1 1 461.054 3.915 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313950362 1071638211 /nfs/dbraw/zinc/63/82/11/1071638211.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 1 1 461.054 3.915 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313950750 1071639310 /nfs/dbraw/zinc/63/93/10/1071639310.db2.gz QNLRGTORTACJIJ-NHCUHLMSSA-N 1 1 475.081 3.735 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951180 1071641122 /nfs/dbraw/zinc/64/11/22/1071641122.db2.gz ZNIIKVVJNSZITE-QHCPKHFHSA-N 1 1 470.731 3.811 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951790 1071642983 /nfs/dbraw/zinc/64/29/83/1071642983.db2.gz WIHJVYPGAXADNQ-NRFANRHFSA-N 1 1 452.647 3.553 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001313951582 1071643093 /nfs/dbraw/zinc/64/30/93/1071643093.db2.gz VEXYMWODMBBYPE-LJQANCHMSA-N 1 1 485.080 3.550 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313952047 1071644342 /nfs/dbraw/zinc/64/43/42/1071644342.db2.gz XHMOHPOCJFXDIP-VQTJNVASSA-N 1 1 475.081 3.876 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313950818 1071640039 /nfs/dbraw/zinc/64/00/39/1071640039.db2.gz XOVSPTZGVUGRPD-HNNXBMFYSA-N 1 1 496.559 3.920 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313952444 1071645857 /nfs/dbraw/zinc/64/58/57/1071645857.db2.gz QEDBXBJZVCWPCD-XPWALMASSA-N 1 1 484.689 3.764 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313953949 1071648836 /nfs/dbraw/zinc/64/88/36/1071648836.db2.gz KFHIEPGTFJLGPG-DEOSSOPVSA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001313953978 1071650094 /nfs/dbraw/zinc/65/00/94/1071650094.db2.gz LOUXWUXNIMXJMX-HSZRJFAPSA-N 1 1 454.663 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954258 1071651291 /nfs/dbraw/zinc/65/12/91/1071651291.db2.gz MNLJKNQGIPLDDE-ZDXQCDESSA-N 1 1 454.663 3.991 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954575 1071651771 /nfs/dbraw/zinc/65/17/71/1071651771.db2.gz BXOGHWDAHNKYQA-WOJBJXKFSA-N 1 1 459.708 3.534 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001313955589 1071656030 /nfs/dbraw/zinc/65/60/30/1071656030.db2.gz SZUUGTCAZZDHAK-OALUTQOASA-N 1 1 463.095 3.814 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313956916 1071658857 /nfs/dbraw/zinc/65/88/57/1071658857.db2.gz MXVUXBUAWQPFIZ-UHFFFAOYSA-N 1 1 488.478 3.555 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC001313956808 1071658874 /nfs/dbraw/zinc/65/88/74/1071658874.db2.gz LJIPGLOVLSBWGN-HSZRJFAPSA-N 1 1 472.653 3.611 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001313957074 1071659580 /nfs/dbraw/zinc/65/95/80/1071659580.db2.gz PJYLTTXTZPERLQ-UHFFFAOYSA-N 1 1 477.657 3.630 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001313957848 1071661294 /nfs/dbraw/zinc/66/12/94/1071661294.db2.gz KVVNPFZXDHYKQH-UHFFFAOYSA-N 1 1 453.660 3.844 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N2CCC=C(Br)C2)CC1 ZINC001313957811 1071661327 /nfs/dbraw/zinc/66/13/27/1071661327.db2.gz JOWBRCCYPKAWRH-UHFFFAOYSA-N 1 1 473.463 3.770 20 0 JHADMO CCN1CC[NH+](CCCn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313958605 1071664697 /nfs/dbraw/zinc/66/46/97/1071664697.db2.gz CYRTWWNDNXTJGD-UHFFFAOYSA-N 1 1 472.703 3.987 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958822 1071665313 /nfs/dbraw/zinc/66/53/13/1071665313.db2.gz YGUMXVDQCFRRPF-DHLKQENFSA-N 1 1 498.716 3.609 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001313959090 1071665677 /nfs/dbraw/zinc/66/56/77/1071665677.db2.gz KUMBHDJAIWLKEJ-ISKFKSNPSA-N 1 1 486.680 4.000 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313959797 1071667411 /nfs/dbraw/zinc/66/74/11/1071667411.db2.gz AJBLEIRIXIOHTK-QFIPXVFZSA-N 1 1 470.662 3.520 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313959819 1071667485 /nfs/dbraw/zinc/66/74/85/1071667485.db2.gz BBGNYIHNXCWNFF-HXUWFJFHSA-N 1 1 491.080 3.542 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313960167 1071669334 /nfs/dbraw/zinc/66/93/34/1071669334.db2.gz FGSWDSUEYIATQY-NRFANRHFSA-N 1 1 458.626 3.506 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313960378 1071669834 /nfs/dbraw/zinc/66/98/34/1071669834.db2.gz KFQYIJIQQMXQEV-MYDTUXCISA-N 1 1 460.711 3.707 20 0 JHADMO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+](C)C2CCCC2)c2ccccc2c1=O ZINC001313960871 1071670965 /nfs/dbraw/zinc/67/09/65/1071670965.db2.gz PENFKAYGJJYTQP-UHFFFAOYSA-N 1 1 477.535 3.548 20 0 JHADMO CCn1nc(-c2nnc(N(C)CCC(F)(F)F)n2CC[N@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001313961113 1071672365 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BCINCGWSCYTZKK-IBGZPJMESA-N 1 1 461.536 3.894 20 0 JHADMO CCc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCC(=O)NC1CCCCC1 ZINC001306088752 1068514601 /nfs/dbraw/zinc/51/46/01/1068514601.db2.gz CKNICJONJVFGKU-QFIPXVFZSA-N 1 1 452.647 3.638 20 0 JHADMO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001306088806 1068514689 /nfs/dbraw/zinc/51/46/89/1068514689.db2.gz HJLRCAHVJAICEQ-BGYRXZFFSA-N 1 1 468.671 3.676 20 0 JHADMO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001306088806 1068514702 /nfs/dbraw/zinc/51/47/02/1068514702.db2.gz HJLRCAHVJAICEQ-BGYRXZFFSA-N 1 1 468.671 3.676 20 0 JHADMO CCc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001306102981 1068519525 /nfs/dbraw/zinc/51/95/25/1068519525.db2.gz XHDIXIFZCTZAKN-INIZCTEOSA-N 1 1 477.382 3.515 20 0 JHADMO CCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306113030 1068522964 /nfs/dbraw/zinc/52/29/64/1068522964.db2.gz UCUACQNCBTXTCC-DFQSSKMNSA-N 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CCc1nnc(N2CCCN(c3nccs3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001306179488 1068569261 /nfs/dbraw/zinc/56/92/61/1068569261.db2.gz UQRHHNVPOPJAQQ-FQEVSTJZSA-N 1 1 453.660 3.924 20 0 JHADMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001306180059 1068570733 /nfs/dbraw/zinc/57/07/33/1068570733.db2.gz DQCLRTGHNLZTQZ-UHFFFAOYSA-N 1 1 477.510 3.743 20 0 JHADMO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001306180639 1068571858 /nfs/dbraw/zinc/57/18/58/1068571858.db2.gz VQSSUIAMULSPIN-QFIPXVFZSA-N 1 1 452.647 3.848 20 0 JHADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001306188819 1068581193 /nfs/dbraw/zinc/58/11/93/1068581193.db2.gz RETCTFJRVXOABJ-LJQANCHMSA-N 1 1 456.635 3.786 20 0 JHADMO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001306195681 1068587810 /nfs/dbraw/zinc/58/78/10/1068587810.db2.gz SPOWIZOFHCCXBX-MHECFPHRSA-N 1 1 455.628 3.702 20 0 JHADMO CCc1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001306196311 1068588208 /nfs/dbraw/zinc/58/82/08/1068588208.db2.gz CJKWEKGCEOPHAJ-FQEVSTJZSA-N 1 1 458.626 3.683 20 0 JHADMO CCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001306205571 1068596196 /nfs/dbraw/zinc/59/61/96/1068596196.db2.gz OCZBMYGLNSQDSP-IFMALSPDSA-N 1 1 468.646 3.951 20 0 JHADMO CCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001306205573 1068596637 /nfs/dbraw/zinc/59/66/37/1068596637.db2.gz OCZBMYGLNSQDSP-RBBKRZOGSA-N 1 1 468.646 3.951 20 0 JHADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cc(Br)cs1 ZINC001306210651 1068601392 /nfs/dbraw/zinc/60/13/92/1068601392.db2.gz VXYNXDSOOIPMSB-CALCHBBNSA-N 1 1 481.508 3.708 20 0 JHADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001306227254 1068611844 /nfs/dbraw/zinc/61/18/44/1068611844.db2.gz MQWKPLIRUMPOOV-BZSNNMDCSA-N 1 1 478.638 3.618 20 0 JHADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001306227254 1068611850 /nfs/dbraw/zinc/61/18/50/1068611850.db2.gz MQWKPLIRUMPOOV-BZSNNMDCSA-N 1 1 478.638 3.618 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001306246199 1068653498 /nfs/dbraw/zinc/65/34/98/1068653498.db2.gz SCKLYYMOIOETKY-WMQCIHAUSA-N 1 1 489.064 3.907 20 0 JHADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+](C)C1CCCC1 ZINC001306246697 1068654704 /nfs/dbraw/zinc/65/47/04/1068654704.db2.gz WBLHQFJOZBFINK-UNMCSNQZSA-N 1 1 468.646 3.624 20 0 JHADMO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@@H+](C)C1CCCCC1 ZINC001306259234 1068667497 /nfs/dbraw/zinc/66/74/97/1068667497.db2.gz DGDJPUATFLRUGF-FQEVSTJZSA-N 1 1 486.686 3.558 20 0 JHADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCC[N@H+]1CC ZINC001306262462 1068673899 /nfs/dbraw/zinc/67/38/99/1068673899.db2.gz XWMUMNDRDWSRSM-FYYLOGMGSA-N 1 1 482.673 3.744 20 0 JHADMO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+](C)CCOC ZINC001306265516 1068679391 /nfs/dbraw/zinc/67/93/91/1068679391.db2.gz WHNNMUUIIMSVFM-AEFFLSMTSA-N 1 1 467.456 3.639 20 0 JHADMO CC[C@H]1[C@H](C)CCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+](C)C(C)C ZINC001306266772 1068681441 /nfs/dbraw/zinc/68/14/41/1068681441.db2.gz NHAJNIDQZHEJQW-QUCCMNQESA-N 1 1 461.680 3.593 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001306271454 1068684476 /nfs/dbraw/zinc/68/44/76/1068684476.db2.gz DOQHQNMGCOFVMS-FUPPJEDESA-N 1 1 452.647 3.936 20 0 JHADMO CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2F)n1CCC[NH+]1CCN(CC)CC1 ZINC001306275715 1068689298 /nfs/dbraw/zinc/68/92/98/1068689298.db2.gz HOEWVLAIUSQMDA-UNMCSNQZSA-N 1 1 458.626 3.649 20 0 JHADMO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001306283776 1068700756 /nfs/dbraw/zinc/70/07/56/1068700756.db2.gz VKOKMOISGASYLM-ILZDJORESA-N 1 1 494.731 3.584 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001306296493 1068712687 /nfs/dbraw/zinc/71/26/87/1068712687.db2.gz RMZWOBPLQOMNFE-SJLPKXTDSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001306296493 1068712692 /nfs/dbraw/zinc/71/26/92/1068712692.db2.gz RMZWOBPLQOMNFE-SJLPKXTDSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001306296492 1068712796 /nfs/dbraw/zinc/71/27/96/1068712796.db2.gz RMZWOBPLQOMNFE-FUHWJXTLSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001306296492 1068712806 /nfs/dbraw/zinc/71/28/06/1068712806.db2.gz RMZWOBPLQOMNFE-FUHWJXTLSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001306303606 1068720578 /nfs/dbraw/zinc/72/05/78/1068720578.db2.gz ZDYGIQAEYFDOGK-KJJMTIBFSA-N 1 1 490.693 3.943 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306316741 1068736704 /nfs/dbraw/zinc/73/67/04/1068736704.db2.gz GJENLKPZWKEHLQ-HXUWFJFHSA-N 1 1 483.661 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001306318556 1068742006 /nfs/dbraw/zinc/74/20/06/1068742006.db2.gz GYSZYSZVFRBBAA-KRWDZBQOSA-N 1 1 462.549 3.604 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306318925 1068743244 /nfs/dbraw/zinc/74/32/44/1068743244.db2.gz PQNAPWLTWPWLHS-BAGYTPMASA-N 1 1 486.636 3.927 20 0 JHADMO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 ZINC001306318959 1068743409 /nfs/dbraw/zinc/74/34/09/1068743409.db2.gz QGGKOMPGVALXLR-FQEVSTJZSA-N 1 1 492.510 3.841 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 ZINC001306318959 1068743425 /nfs/dbraw/zinc/74/34/25/1068743425.db2.gz QGGKOMPGVALXLR-FQEVSTJZSA-N 1 1 492.510 3.841 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001306319769 1068746713 /nfs/dbraw/zinc/74/67/13/1068746713.db2.gz WLVHCTPZSMDZAJ-RBUKOAKNSA-N 1 1 476.572 3.513 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001306320228 1068748253 /nfs/dbraw/zinc/74/82/53/1068748253.db2.gz RSFAOAFELDTVGD-QKNQBKEWSA-N 1 1 491.727 3.943 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001306320364 1068748802 /nfs/dbraw/zinc/74/88/02/1068748802.db2.gz UONQSWMUPAHYQE-QFIPXVFZSA-N 1 1 451.619 3.897 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001306321183 1068750939 /nfs/dbraw/zinc/75/09/39/1068750939.db2.gz BMOBFCVRTUNCCS-ADYITMSISA-N 1 1 474.694 3.553 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306321068 1068750950 /nfs/dbraw/zinc/75/09/50/1068750950.db2.gz YLUBBJMCXSOTMI-ROUUACIJSA-N 1 1 468.067 3.732 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001306321193 1068751570 /nfs/dbraw/zinc/75/15/70/1068751570.db2.gz ZUAZTDVTYNHJOI-RBZQAINGSA-N 1 1 496.700 3.886 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 ZINC001306321668 1068751588 /nfs/dbraw/zinc/75/15/88/1068751588.db2.gz HBVRXIIVXXFHSB-FGZHOGPDSA-N 1 1 490.693 3.884 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 ZINC001306321583 1068751722 /nfs/dbraw/zinc/75/17/22/1068751722.db2.gz FRSKVSRPCJNFFR-DHIUTWEWSA-N 1 1 473.687 3.514 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306321749 1068752489 /nfs/dbraw/zinc/75/24/89/1068752489.db2.gz BMFRHCVBMMHADQ-NRFANRHFSA-N 1 1 494.606 3.826 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC ZINC001306322305 1068753187 /nfs/dbraw/zinc/75/31/87/1068753187.db2.gz JGPUPJKMGUXFIF-LJQANCHMSA-N 1 1 472.659 3.562 20 0 JHADMO 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OBKQEQZJJIDFIH-MHECFPHRSA-N 1 1 470.570 3.730 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001164708246 719867923 /nfs/dbraw/zinc/86/79/23/719867923.db2.gz ZAUZBRSRCRRQBY-HFJWLAOPSA-N 1 1 482.531 3.808 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164709616 720100880 /nfs/dbraw/zinc/10/08/80/720100880.db2.gz BKVMZJYOMAXMFJ-GOSISDBHSA-N 1 1 460.047 3.822 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164711171 720104944 /nfs/dbraw/zinc/10/49/44/720104944.db2.gz OWYSCLXRNZMJHN-XMMPIXPASA-N 1 1 459.594 3.958 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164715469 720118268 /nfs/dbraw/zinc/11/82/68/720118268.db2.gz FZJWSOCPJYIEOP-DEOSSOPVSA-N 1 1 459.594 3.958 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164716925 720125362 /nfs/dbraw/zinc/12/53/62/720125362.db2.gz LMXHRDGOIDOERL-QHCPKHFHSA-N 1 1 473.625 3.507 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164711233 720132649 /nfs/dbraw/zinc/13/26/49/720132649.db2.gz GGQHVVPJQJNNNX-DEOSSOPVSA-N 1 1 459.594 3.958 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164710458 720136750 /nfs/dbraw/zinc/13/67/50/720136750.db2.gz BQCDSSSJRDZBAW-GOSISDBHSA-N 1 1 451.949 3.765 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)CC2 ZINC001164712480 720137239 /nfs/dbraw/zinc/13/72/39/720137239.db2.gz MNWAYDGZPHGLKP-IBGZPJMESA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164713914 720139124 /nfs/dbraw/zinc/13/91/24/720139124.db2.gz UELVXCHECNEDDW-NRFANRHFSA-N 1 1 476.581 3.533 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164713589 720140974 /nfs/dbraw/zinc/14/09/74/720140974.db2.gz SIFHQABIYVMXMP-RDGATRHJSA-N 1 1 477.653 3.856 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164711692 720142829 /nfs/dbraw/zinc/14/28/29/720142829.db2.gz HXKGGEMVDKLMQR-QHCPKHFHSA-N 1 1 450.631 3.615 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164819428 720158906 /nfs/dbraw/zinc/15/89/06/720158906.db2.gz WZDOIJPFZBZONA-UUOWRZLLSA-N 1 1 458.990 3.645 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCC2 ZINC001164811328 720215635 /nfs/dbraw/zinc/21/56/35/720215635.db2.gz GHIQNCITTQBGIK-UHFFFAOYSA-N 1 1 468.961 3.697 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CCC2 ZINC001164812547 720238404 /nfs/dbraw/zinc/23/84/04/720238404.db2.gz GVJFFIHOQJHLNV-UHFFFAOYSA-N 1 1 472.952 3.869 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C2)C1 ZINC001164720671 720298533 /nfs/dbraw/zinc/29/85/33/720298533.db2.gz CBDHLLLATCRXSO-LJAQVGFWSA-N 1 1 485.632 3.784 20 0 JHADMO 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3.879 20 0 JHADMO 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 720631359 /nfs/dbraw/zinc/63/13/59/720631359.db2.gz UBCCNXTXRFZBJY-SQNIBIBYSA-N 1 1 477.947 3.904 20 0 JHADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164839226 720632419 /nfs/dbraw/zinc/63/24/19/720632419.db2.gz MOESBVSYGLGVRB-DNVJHFABSA-N 1 1 459.598 3.612 20 0 JHADMO COC(=O)c1c(Cl)cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164838202 720706697 /nfs/dbraw/zinc/70/66/97/720706697.db2.gz HHNNLIFDQQDWOQ-SFHVURJKSA-N 1 1 459.974 3.790 20 0 JHADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737271 720707891 /nfs/dbraw/zinc/70/78/91/720707891.db2.gz DYONAJVIJVSIPH-KGLIPLIRSA-N 1 1 467.307 3.613 20 0 JHADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737273 720708430 /nfs/dbraw/zinc/70/84/30/720708430.db2.gz DYONAJVIJVSIPH-ZIAGYGMSSA-N 1 1 467.307 3.613 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)no1 ZINC001164842310 720709907 /nfs/dbraw/zinc/70/99/07/720709907.db2.gz YDRFJKXJPOQNBS-NRFANRHFSA-N 1 1 461.566 3.890 20 0 JHADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742411 720753272 /nfs/dbraw/zinc/75/32/72/720753272.db2.gz OKQZWKOELNUQBT-WDEREUQCSA-N 1 1 450.704 3.719 20 0 JHADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742411 720753284 /nfs/dbraw/zinc/75/32/84/720753284.db2.gz OKQZWKOELNUQBT-WDEREUQCSA-N 1 1 450.704 3.719 20 0 JHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1Cl ZINC001164749989 720800944 /nfs/dbraw/zinc/80/09/44/720800944.db2.gz UYELXLCFMUHLNU-LSDHHAIUSA-N 1 1 461.328 3.721 20 0 JHADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747824 720802866 /nfs/dbraw/zinc/80/28/66/720802866.db2.gz POOVEXHWXMXLBV-HUUCEWRRSA-N 1 1 459.337 3.708 20 0 JHADMO 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C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)C1 ZINC001164744468 720827439 /nfs/dbraw/zinc/82/74/39/720827439.db2.gz ULYNEUMJNLIHGQ-XLBJILASSA-N 1 1 463.655 3.787 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164748340 720842978 /nfs/dbraw/zinc/84/29/78/720842978.db2.gz UHSOUMIHDUFVHM-DSNGMDLFSA-N 1 1 481.604 3.696 20 0 JHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739412 720849071 /nfs/dbraw/zinc/84/90/71/720849071.db2.gz ADWHXJBIDGCDIJ-ABSDTBQOSA-N 1 1 463.964 3.523 20 0 JHADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(SCc5ccccc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748687 720853501 /nfs/dbraw/zinc/85/35/01/720853501.db2.gz LRKSJJZLHXGTRL-RJGXRXQPSA-N 1 1 461.639 3.740 20 0 JHADMO CCOC(=O)c1ccc(C)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748578 720868290 /nfs/dbraw/zinc/86/82/90/720868290.db2.gz FYDIOKVANADZSS-YIXXDRMTSA-N 1 1 464.610 3.717 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164856565 720875549 /nfs/dbraw/zinc/87/55/49/720875549.db2.gz IGYFWPJNPLBBGO-VQTJNVASSA-N 1 1 453.612 3.544 20 0 JHADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751465 720876189 /nfs/dbraw/zinc/87/61/89/720876189.db2.gz KHLNHXOVQKRLNX-LXFBAYGMSA-N 1 1 487.604 3.567 20 0 JHADMO Clc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2cnccc12 ZINC001164747103 720876227 /nfs/dbraw/zinc/87/62/27/720876227.db2.gz AAILPDNECCDUTE-CJFMBICVSA-N 1 1 465.001 3.828 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864410 720876443 /nfs/dbraw/zinc/87/64/43/720876443.db2.gz VRTFHRJLXHZVGQ-IFMALSPDSA-N 1 1 499.725 3.585 20 0 JHADMO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164753411 720876979 /nfs/dbraw/zinc/87/69/79/720876979.db2.gz PJOWURBQJCVPEJ-YWEHKCAJSA-N 1 1 487.604 3.567 20 0 JHADMO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749880 720877875 /nfs/dbraw/zinc/87/78/75/720877875.db2.gz IBSRFWFXMNKYDC-KCWPFWIISA-N 1 1 464.610 3.717 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4cc5c(cc42)OCCO5)C3)c1 ZINC001164747369 720878053 /nfs/dbraw/zinc/87/80/53/720878053.db2.gz BGPBDMSBWADNIU-SKCUWOTOSA-N 1 1 487.604 3.551 20 0 JHADMO COC(=O)c1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754485 720878575 /nfs/dbraw/zinc/87/85/75/720878575.db2.gz RWNXVQKZBNCQTB-NLFFAJNJSA-N 1 1 471.001 3.672 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]2C1 ZINC001164865259 720882237 /nfs/dbraw/zinc/88/22/37/720882237.db2.gz ZHDGUZOMCCPUQX-PXNSSMCTSA-N 1 1 452.933 3.515 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC[C@@H]2C1 ZINC001164856724 720883183 /nfs/dbraw/zinc/88/31/83/720883183.db2.gz JBMGBKFCISVNMQ-XXBNENTESA-N 1 1 457.018 3.849 20 0 JHADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756001 720888193 /nfs/dbraw/zinc/88/81/93/720888193.db2.gz NZFCTLBXJAHJRD-KCWPFWIISA-N 1 1 464.610 3.635 20 0 JHADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754559 720890409 /nfs/dbraw/zinc/89/04/09/720890409.db2.gz JJAHJJIGCUSLPN-UFHPHHKVSA-N 1 1 477.653 3.760 20 0 JHADMO Clc1nc2ncsc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755691 720890981 /nfs/dbraw/zinc/89/09/81/720890981.db2.gz MQDAJMAMIDZODH-FDDCHVKYSA-N 1 1 471.030 3.890 20 0 JHADMO CCOc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757149 720893244 /nfs/dbraw/zinc/89/32/44/720893244.db2.gz SYQJGAFNGROZEQ-RDPSFJRHSA-N 1 1 458.006 3.679 20 0 JHADMO COC(=O)c1cc2ccncc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753961 720894116 /nfs/dbraw/zinc/89/41/16/720894116.db2.gz HXXWMIVVTUTBNA-QDPGVEIFSA-N 1 1 487.604 3.567 20 0 JHADMO S=c1nc2[nH]cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c-2s1 ZINC001164750652 720905249 /nfs/dbraw/zinc/90/52/49/720905249.db2.gz JXYXOTNDWDKIQG-MBSDFSHPSA-N 1 1 468.652 3.525 20 0 JHADMO S=c1nc2[nH]cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c-2s1 ZINC001164750652 720905254 /nfs/dbraw/zinc/90/52/54/720905254.db2.gz JXYXOTNDWDKIQG-MBSDFSHPSA-N 1 1 468.652 3.525 20 0 JHADMO Cc1noc(-c2cccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753160 720913215 /nfs/dbraw/zinc/91/32/15/720913215.db2.gz QQFGGLRFGRSHEK-BKMJKUGQSA-N 1 1 460.582 3.590 20 0 JHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(-c4ccncc4)ncn2)C3)c1 ZINC001164753186 720913551 /nfs/dbraw/zinc/91/35/51/720913551.db2.gz QUGXMPPIZFILAW-RPLLCQBOSA-N 1 1 456.594 3.689 20 0 JHADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751315 720914099 /nfs/dbraw/zinc/91/40/99/720914099.db2.gz LHYHRPJVVRNYIX-OFNKIYASSA-N 1 1 493.986 3.747 20 0 JHADMO c1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)nc1 ZINC001164747034 720921816 /nfs/dbraw/zinc/92/18/16/720921816.db2.gz BUOYKGDRWPBBIT-KCWPFWIISA-N 1 1 456.594 3.689 20 0 JHADMO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754682 720939128 /nfs/dbraw/zinc/93/91/28/720939128.db2.gz XHIJMHRKKRBHHA-KNQAVFIVSA-N 1 1 479.959 3.705 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)[C@@H]2C ZINC001164862691 720960186 /nfs/dbraw/zinc/96/01/86/720960186.db2.gz XASOJAZNZQQFRH-WBVHZDCISA-N 1 1 458.998 3.797 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)[C@H]2C ZINC001164857206 720995072 /nfs/dbraw/zinc/99/50/72/720995072.db2.gz DKALMLSPFKSDSV-HNNXBMFYSA-N 1 1 454.579 3.923 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)c2c1C ZINC001164764174 721008736 /nfs/dbraw/zinc/00/87/36/721008736.db2.gz YPHJBPVOIYFAMV-HBMCJLEFSA-N 1 1 465.623 3.719 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)[C@H]2C ZINC001164858834 721009748 /nfs/dbraw/zinc/00/97/48/721009748.db2.gz HSNZLQUPDXNCGZ-INIZCTEOSA-N 1 1 490.580 3.779 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164763503 721017016 /nfs/dbraw/zinc/01/70/16/721017016.db2.gz XOTUUMZNJMLQAY-MJTJJFPGSA-N 1 1 463.626 3.666 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1 ZINC001164759352 721022271 /nfs/dbraw/zinc/02/22/71/721022271.db2.gz LRQSJGNBCPPGDX-QUMGSSFMSA-N 1 1 477.653 3.961 20 0 JHADMO Fc1ccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)cc1 ZINC001164862704 721034772 /nfs/dbraw/zinc/03/47/72/721034772.db2.gz OZRHJEVGORZEQM-UHFFFAOYSA-N 1 1 473.890 3.985 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CCN4C(=O)c3cnn(C)c3)c2c1C ZINC001164760294 721037813 /nfs/dbraw/zinc/03/78/13/721037813.db2.gz CMXLUOBSMYXMAW-WOJBJXKFSA-N 1 1 479.654 3.521 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CCN4C(=O)c3cnn(C)c3)c2c1C ZINC001164760280 721037864 /nfs/dbraw/zinc/03/78/64/721037864.db2.gz CMXLUOBSMYXMAW-PMACEKPBSA-N 1 1 479.654 3.521 20 0 JHADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cn1 ZINC001164762269 721038953 /nfs/dbraw/zinc/03/89/53/721038953.db2.gz HKMMTWQUTFUUKX-SFTDATJTSA-N 1 1 487.633 3.647 20 0 JHADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cn1 ZINC001164762264 721038998 /nfs/dbraw/zinc/03/89/98/721038998.db2.gz HKMMTWQUTFUUKX-NHCUHLMSSA-N 1 1 487.633 3.647 20 0 JHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868377 721062391 /nfs/dbraw/zinc/06/23/91/721062391.db2.gz OFTGRRDMJKYIRY-XZOQPEGZSA-N 1 1 477.996 3.540 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3OCCC[C@H]32)n1 ZINC001164767457 721066362 /nfs/dbraw/zinc/06/63/62/721066362.db2.gz LXBZJFIVBGWAND-YYDVJCTNSA-N 1 1 496.681 3.655 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871093 721136232 /nfs/dbraw/zinc/13/62/32/721136232.db2.gz DPJWBTTZNUZLBA-MOPGFXCFSA-N 1 1 472.927 3.612 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872248 721144132 /nfs/dbraw/zinc/14/41/32/721144132.db2.gz HDNXAGHHCIAKCN-VXKWHMMOSA-N 1 1 478.666 3.779 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872250 721145006 /nfs/dbraw/zinc/14/50/06/721145006.db2.gz HDNXAGHHCIAKCN-YADHBBJMSA-N 1 1 478.666 3.779 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164764185 721179429 /nfs/dbraw/zinc/17/94/29/721179429.db2.gz GLBABAOPZKVVAF-RPBOFIJWSA-N 1 1 459.594 3.876 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164867029 721186164 /nfs/dbraw/zinc/18/61/64/721186164.db2.gz DNJVKQYOILUSJQ-NQIIRXRSSA-N 1 1 467.957 3.806 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870070 721187404 /nfs/dbraw/zinc/18/74/04/721187404.db2.gz SLCKFRCAMDWFQU-RXVVDRJESA-N 1 1 467.957 3.806 20 0 JHADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C[C@H]32)C1=O ZINC001164872104 721232625 /nfs/dbraw/zinc/23/26/25/721232625.db2.gz JVAWJNYRRAFKSQ-MPCDZSKCSA-N 1 1 466.655 3.769 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164782969 721355019 /nfs/dbraw/zinc/35/50/19/721355019.db2.gz OJWCQVUJQACMDG-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164782969 721355024 /nfs/dbraw/zinc/35/50/24/721355024.db2.gz OJWCQVUJQACMDG-AREMUKBSSA-N 1 1 463.582 3.779 20 0 JHADMO COc1cccc(-c2ccnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)c1 ZINC001164782282 721359132 /nfs/dbraw/zinc/35/91/32/721359132.db2.gz MEUFGQDOHJJICS-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1cccc(-c2ccnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)c1 ZINC001164782282 721359135 /nfs/dbraw/zinc/35/91/35/721359135.db2.gz MEUFGQDOHJJICS-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO CCc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164784287 721362733 /nfs/dbraw/zinc/36/27/33/721362733.db2.gz RGWOKYCGHOGYGP-HSZRJFAPSA-N 1 1 458.994 3.898 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164787025 721362781 /nfs/dbraw/zinc/36/27/81/721362781.db2.gz XINFYHHOQBMBQP-QFIPXVFZSA-N 1 1 492.958 3.947 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1 ZINC001164787025 721362783 /nfs/dbraw/zinc/36/27/83/721362783.db2.gz XINFYHHOQBMBQP-QFIPXVFZSA-N 1 1 492.958 3.947 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc5c(c43)CCC5)C2)C1 ZINC001164780269 721365542 /nfs/dbraw/zinc/36/55/42/721365542.db2.gz FJTAZCDGRQOQGI-DEOSSOPVSA-N 1 1 453.612 3.904 20 0 JHADMO COc1cc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc2c(OC)c1 ZINC001164780198 721373614 /nfs/dbraw/zinc/37/36/14/721373614.db2.gz FPGPOJACYITYFO-AREMUKBSSA-N 1 1 466.582 3.976 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885086 721405725 /nfs/dbraw/zinc/40/57/25/721405725.db2.gz FLKMSTSOTUXTJM-GCJKJVERSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)cccc54)C3)O2)CC1 ZINC001164886079 721405947 /nfs/dbraw/zinc/40/59/47/721405947.db2.gz HTOMEVZQOAXBOZ-ZHRRBRCNSA-N 1 1 450.414 3.702 20 0 JHADMO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891948 721419006 /nfs/dbraw/zinc/41/90/06/721419006.db2.gz WXKPOGKULFQKIM-CUBQBAPOSA-N 1 1 459.638 3.850 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164885250 721419217 /nfs/dbraw/zinc/41/92/17/721419217.db2.gz GJDFBTACKMIBQD-OXQOHEQNSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)O2)CC1 ZINC001164889828 721420578 /nfs/dbraw/zinc/42/05/78/721420578.db2.gz RPEUQDQUWCKUDO-SIKLNZKXSA-N 1 1 465.976 3.594 20 0 JHADMO CSc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)ncn2)cc1 ZINC001164890723 721427736 /nfs/dbraw/zinc/42/77/36/721427736.db2.gz DOZLWBZKGPRFRC-SQJMNOBHSA-N 1 1 469.655 3.756 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C3)O2)CC1 ZINC001164897219 721433854 /nfs/dbraw/zinc/43/38/54/721433854.db2.gz SSJGCEKMGWWKEH-NTKDMRAZSA-N 1 1 475.996 3.827 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891341 721433909 /nfs/dbraw/zinc/43/39/09/721433909.db2.gz GIMBDAKFWWYCPL-MVOZIGHISA-N 1 1 478.685 3.774 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895449 721436550 /nfs/dbraw/zinc/43/65/50/721436550.db2.gz PDQSFHUHYCBAFW-HYBUGGRVSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888853 721440809 /nfs/dbraw/zinc/44/08/09/721440809.db2.gz BBHRSOYNBRQZAH-YADARESESA-N 1 1 459.997 3.702 20 0 JHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164785971 721451448 /nfs/dbraw/zinc/45/14/48/721451448.db2.gz KOPQJGJZVYBOMS-HXUWFJFHSA-N 1 1 480.049 3.954 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164783587 721452552 /nfs/dbraw/zinc/45/25/52/721452552.db2.gz CJBUZIWEQIYJHA-GOSISDBHSA-N 1 1 467.079 3.653 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)O2)CC1 ZINC001164890155 721453539 /nfs/dbraw/zinc/45/35/39/721453539.db2.gz QOSVMAOQSSUYJX-DENIHFKCSA-N 1 1 454.993 3.923 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164789394 721453714 /nfs/dbraw/zinc/45/37/14/721453714.db2.gz VHHZXTUXUYKGAX-XMMPIXPASA-N 1 1 466.626 3.790 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5O[C@@H](C(=O)NCC6CC6)C[C@H]53)n2)CCC4)CC1 ZINC001164885919 721459034 /nfs/dbraw/zinc/45/90/34/721459034.db2.gz FWWWONOFMAHTCT-QHAWAJNXSA-N 1 1 495.693 3.674 20 0 JHADMO Cc1nc(CN2CC[C@@]3(CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)C2=O)cs1 ZINC001164891379 721461111 /nfs/dbraw/zinc/46/11/11/721461111.db2.gz UNOCAWLABALVAB-HHHXNRCGSA-N 1 1 488.661 3.819 20 0 JHADMO Cc1nc(CN2CC[C@@]3(CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)C2=O)cs1 ZINC001164891379 721461113 /nfs/dbraw/zinc/46/11/13/721461113.db2.gz UNOCAWLABALVAB-HHHXNRCGSA-N 1 1 488.661 3.819 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164790085 721462871 /nfs/dbraw/zinc/46/28/71/721462871.db2.gz ZRACPHGLCHKECZ-LJQANCHMSA-N 1 1 458.578 3.511 20 0 JHADMO CCOC(=O)c1nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1Cl ZINC001164783477 721464292 /nfs/dbraw/zinc/46/42/92/721464292.db2.gz DFVFEBGWKQHCKX-LJQANCHMSA-N 1 1 466.022 3.646 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164787277 721467577 /nfs/dbraw/zinc/46/75/77/721467577.db2.gz DULWUSZJHPWHSN-QHCPKHFHSA-N 1 1 494.636 3.649 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164787201 721468791 /nfs/dbraw/zinc/46/87/91/721468791.db2.gz DJMGNKHBWJCIOU-QGZVFWFLSA-N 1 1 483.991 3.890 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164791751 721469410 /nfs/dbraw/zinc/46/94/10/721469410.db2.gz YLCBOGAGSVQSDI-DEOSSOPVSA-N 1 1 465.642 3.889 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1 ZINC001164895009 721479296 /nfs/dbraw/zinc/47/92/96/721479296.db2.gz QJNGLAONOLLAOW-CJTFWIGWSA-N 1 1 458.622 3.678 20 0 JHADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899757 721520412 /nfs/dbraw/zinc/52/04/12/721520412.db2.gz MINUQRPLKPBPRO-PZJWPPBQSA-N 1 1 458.965 3.842 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903009 721535168 /nfs/dbraw/zinc/53/51/68/721535168.db2.gz BUPHUAOHLFCKLC-AEFFLSMTSA-N 1 1 456.905 3.551 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807800 721547365 /nfs/dbraw/zinc/54/73/65/721547365.db2.gz RISNBCTZUPGEGT-URVUXULASA-N 1 1 479.606 3.645 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807800 721547367 /nfs/dbraw/zinc/54/73/67/721547367.db2.gz RISNBCTZUPGEGT-URVUXULASA-N 1 1 479.606 3.645 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164905791 721549818 /nfs/dbraw/zinc/54/98/18/721549818.db2.gz IFJGMTMYQJBBFQ-RDJZCZTQSA-N 1 1 455.864 3.548 20 0 JHADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164910356 721563817 /nfs/dbraw/zinc/56/38/17/721563817.db2.gz WJSFYRQSSOULDC-QPPBQGQZSA-N 1 1 463.557 3.603 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800374 721573183 /nfs/dbraw/zinc/57/31/83/721573183.db2.gz FGKCJLBEMSCRIH-DGWZTRNLSA-N 1 1 467.573 3.988 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164801546 721577928 /nfs/dbraw/zinc/57/79/28/721577928.db2.gz GVWRWCNCULAKNL-ISJGIBHGSA-N 1 1 452.562 3.955 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164801546 721577931 /nfs/dbraw/zinc/57/79/31/721577931.db2.gz GVWRWCNCULAKNL-ISJGIBHGSA-N 1 1 452.562 3.955 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)o2)cc1 ZINC001164805262 721580046 /nfs/dbraw/zinc/58/00/46/721580046.db2.gz LEPANAFDIDLFHQ-FUDKSRODSA-N 1 1 456.550 3.856 20 0 JHADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)o2)cc1 ZINC001164805262 721580050 /nfs/dbraw/zinc/58/00/50/721580050.db2.gz LEPANAFDIDLFHQ-FUDKSRODSA-N 1 1 456.550 3.856 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164809504 721580672 /nfs/dbraw/zinc/58/06/72/721580672.db2.gz SSPURPPQBRISOT-YTFSRNRJSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164809504 721580675 /nfs/dbraw/zinc/58/06/75/721580675.db2.gz SSPURPPQBRISOT-YTFSRNRJSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164806863 721582223 /nfs/dbraw/zinc/58/22/23/721582223.db2.gz NJCDCAUNESTOBO-BFLUCZKCSA-N 1 1 458.562 3.702 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)OCc3ccccc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164806863 721582227 /nfs/dbraw/zinc/58/22/27/721582227.db2.gz NJCDCAUNESTOBO-BFLUCZKCSA-N 1 1 458.562 3.702 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(C)n2)cc1 ZINC001164805069 721587779 /nfs/dbraw/zinc/58/77/79/721587779.db2.gz KOHVYRZKWHHKIW-JCYRPKCISA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(C)n2)cc1 ZINC001164805069 721587781 /nfs/dbraw/zinc/58/77/81/721587781.db2.gz KOHVYRZKWHHKIW-JCYRPKCISA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2C)cc1 ZINC001164801513 721588207 /nfs/dbraw/zinc/58/82/07/721588207.db2.gz FCGNSUPNANSBNK-GMQQYTKMSA-N 1 1 473.621 3.956 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2C)cc1 ZINC001164801513 721588210 /nfs/dbraw/zinc/58/82/10/721588210.db2.gz FCGNSUPNANSBNK-GMQQYTKMSA-N 1 1 473.621 3.956 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2cccnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164800901 721588689 /nfs/dbraw/zinc/58/86/89/721588689.db2.gz DBGLMCUKDAXIAR-GUDVDZBRSA-N 1 1 481.931 3.635 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2cccnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164800901 721588691 /nfs/dbraw/zinc/58/86/91/721588691.db2.gz DBGLMCUKDAXIAR-GUDVDZBRSA-N 1 1 481.931 3.635 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164798572 721594464 /nfs/dbraw/zinc/59/44/64/721594464.db2.gz KDXRXPJGHLQMEL-DHLKQENFSA-N 1 1 470.639 3.719 20 0 JHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906892 721710776 /nfs/dbraw/zinc/71/07/76/721710776.db2.gz OWTYXNKENYVNEA-XMMPIXPASA-N 1 1 465.552 3.737 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904868 721715425 /nfs/dbraw/zinc/71/54/25/721715425.db2.gz DRFBQEBHMFWYDT-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2[nH]1 ZINC001164904868 721715428 /nfs/dbraw/zinc/71/54/28/721715428.db2.gz DRFBQEBHMFWYDT-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2[nH]1 ZINC001164904868 721715431 /nfs/dbraw/zinc/71/54/31/721715431.db2.gz DRFBQEBHMFWYDT-HSZRJFAPSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906191 721721450 /nfs/dbraw/zinc/72/14/50/721721450.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906191 721721456 /nfs/dbraw/zinc/72/14/56/721721456.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 1 1 455.509 3.872 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906144 721721859 /nfs/dbraw/zinc/72/18/59/721721859.db2.gz KFWDPSROWMHKBK-NRFANRHFSA-N 1 1 476.915 3.531 20 0 JHADMO COC(=O)c1cc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164913793 721733870 /nfs/dbraw/zinc/73/38/70/721733870.db2.gz XTXSNWQMRLFTED-NRFANRHFSA-N 1 1 450.917 3.963 20 0 JHADMO CN(C)c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164912110 721734823 /nfs/dbraw/zinc/73/48/23/721734823.db2.gz LOVNDPZIYYVXCK-IBGZPJMESA-N 1 1 472.918 3.874 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)c2c1C ZINC001165026597 721791871 /nfs/dbraw/zinc/79/18/71/721791871.db2.gz ZWCFVNWXLRTAJN-UYAOXDASSA-N 1 1 462.623 3.788 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)n1 ZINC001165020923 721791970 /nfs/dbraw/zinc/79/19/70/721791970.db2.gz MLLQJWPEFNORIH-PKOBYXMFSA-N 1 1 450.612 3.644 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5CN(c6cccnc6)C(=O)[C@@H]5C4)c23)C1 ZINC001165023668 721792111 /nfs/dbraw/zinc/79/21/11/721792111.db2.gz QLYOYJCVQCOGRV-LVCYWYKZSA-N 1 1 488.661 3.906 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)n1 ZINC001165026055 721792834 /nfs/dbraw/zinc/79/28/34/721792834.db2.gz XJJWOIFYABZRCD-UYAOXDASSA-N 1 1 470.602 3.914 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)C[C@@H]21 ZINC001165019837 721811142 /nfs/dbraw/zinc/81/11/42/721811142.db2.gz BZUMTTBLRFRZQK-JLRUASKGSA-N 1 1 458.610 3.598 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC001165026809 721815762 /nfs/dbraw/zinc/81/57/62/721815762.db2.gz RKIWPNOYJHJBNR-NZSAHSFTSA-N 1 1 477.440 3.752 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026093 721816815 /nfs/dbraw/zinc/81/68/15/721816815.db2.gz PDXULXAVJBHYIG-FNHZYXHNSA-N 1 1 454.962 3.530 20 0 JHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028361 721822048 /nfs/dbraw/zinc/82/20/48/721822048.db2.gz VOKAKAXNNAWPNI-WBAXXEDZSA-N 1 1 454.962 3.530 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]21 ZINC001165023907 721827520 /nfs/dbraw/zinc/82/75/20/721827520.db2.gz IOYWAUCPVGZTMD-HUROMRQRSA-N 1 1 483.664 3.935 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]21 ZINC001165023905 721827631 /nfs/dbraw/zinc/82/76/31/721827631.db2.gz IOYWAUCPVGZTMD-DURWQBQJSA-N 1 1 483.664 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CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(C)cn2)CC1 ZINC001306677698 1069401683 /nfs/dbraw/zinc/40/16/83/1069401683.db2.gz AWKZHUWGWJUZQT-UHFFFAOYSA-N 1 1 450.635 3.802 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC)CC1 ZINC001306677758 1069401703 /nfs/dbraw/zinc/40/17/03/1069401703.db2.gz CHKOIGPWWNLLMU-UHFFFAOYSA-N 1 1 451.619 3.684 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001306678362 1069402955 /nfs/dbraw/zinc/40/29/55/1069402955.db2.gz ABDWWSXJHCCBRF-UHFFFAOYSA-N 1 1 480.657 3.938 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001306680666 1069407200 /nfs/dbraw/zinc/40/72/00/1069407200.db2.gz YCDTZADIJHZUQP-UHFFFAOYSA-N 1 1 477.650 3.610 20 0 JHADMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC001311498172 1069407601 /nfs/dbraw/zinc/40/76/01/1069407601.db2.gz SWJOTYKKIKNTIV-LSTHTHJFSA-N 1 1 455.521 3.944 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2snnc2C)CC1 ZINC001306680607 1069407707 /nfs/dbraw/zinc/40/77/07/1069407707.db2.gz RBXYTDDVDRCGCN-UHFFFAOYSA-N 1 1 474.704 3.790 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C)CC1 ZINC001306680651 1069407843 /nfs/dbraw/zinc/40/78/43/1069407843.db2.gz SLEUSACMOMHRHB-UHFFFAOYSA-N 1 1 458.676 3.767 20 0 JHADMO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001311501330 1069410221 /nfs/dbraw/zinc/41/02/21/1069410221.db2.gz DUOVTIMZNFCGAU-FQEVSTJZSA-N 1 1 452.599 3.559 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001306681461 1069410521 /nfs/dbraw/zinc/41/05/21/1069410521.db2.gz YWUJFIDLKJKHOF-RUZDIDTESA-N 1 1 473.687 3.770 20 0 JHADMO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCSCC2)CC1 ZINC001306681467 1069410732 /nfs/dbraw/zinc/41/07/32/1069410732.db2.gz ZCCBHAGOEIHZKN-UHFFFAOYSA-N 1 1 460.692 3.844 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCSCC2)CC1 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QNCYLVDQKUWNKX-HSZRJFAPSA-N 1 1 474.694 3.523 20 0 JHADMO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001311525793 1069423366 /nfs/dbraw/zinc/42/33/66/1069423366.db2.gz UAVKPZYKGNMVTO-RTWAWAEBSA-N 1 1 451.615 3.681 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001306689644 1069427355 /nfs/dbraw/zinc/42/73/55/1069427355.db2.gz XEMTVQBUQGHIEG-QHCPKHFHSA-N 1 1 450.635 3.651 20 0 JHADMO O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001311530134 1069425154 /nfs/dbraw/zinc/42/51/54/1069425154.db2.gz VUDABGKQOAODNV-NRFANRHFSA-N 1 1 451.489 3.675 20 0 JHADMO C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2CN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001311546752 1069433008 /nfs/dbraw/zinc/43/30/08/1069433008.db2.gz YBBIXARGWPAKDD-ISKFKSNPSA-N 1 1 450.627 3.619 20 0 JHADMO CSc1ccccc1OC[C@@H](O)CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001311578525 1069447396 /nfs/dbraw/zinc/44/73/96/1069447396.db2.gz ODVWBDJAKSELIY-VXKWHMMOSA-N 1 1 457.640 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CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC)c1 ZINC001306724110 1069464650 /nfs/dbraw/zinc/46/46/50/1069464650.db2.gz XXPHHQNXBDNLDR-QFIPXVFZSA-N 1 1 451.619 3.978 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724550 1069465881 /nfs/dbraw/zinc/46/58/81/1069465881.db2.gz YUPOFDXCAZUSFU-TZIWHRDSSA-N 1 1 458.655 3.631 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001306726097 1069467785 /nfs/dbraw/zinc/46/77/85/1069467785.db2.gz KCZIJZDCMJTAFE-MBDNFAEBSA-N 1 1 497.775 3.945 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726456 1069469415 /nfs/dbraw/zinc/46/94/15/1069469415.db2.gz MOIWQFOFSMOSRM-DNQXCXABSA-N 1 1 488.721 3.910 20 0 JHADMO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001311619915 1069470497 /nfs/dbraw/zinc/47/04/97/1069470497.db2.gz JMFZWZUTQJBLCF-LJQANCHMSA-N 1 1 450.352 3.679 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001311625885 1069475450 /nfs/dbraw/zinc/47/54/50/1069475450.db2.gz VMOSTUAAXAZYDL-UHFFFAOYSA-N 1 1 452.382 3.530 20 0 JHADMO C[C@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629313 1069478166 /nfs/dbraw/zinc/47/81/66/1069478166.db2.gz BENUKFKQXPSBAV-RDPSFJRHSA-N 1 1 456.656 3.648 20 0 JHADMO COc1cc(OC)c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(OC)c1 ZINC001311629623 1069478191 /nfs/dbraw/zinc/47/81/91/1069478191.db2.gz AAVFXLPSNCOCQL-RTBURBONSA-N 1 1 467.488 3.575 20 0 JHADMO COc1cc(OC)c(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(OC)c1 ZINC001311629623 1069478197 /nfs/dbraw/zinc/47/81/97/1069478197.db2.gz AAVFXLPSNCOCQL-RTBURBONSA-N 1 1 467.488 3.575 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](COc2ccccc2)C1 ZINC001311629878 1069478224 /nfs/dbraw/zinc/47/82/24/1069478224.db2.gz IDFVOJVORJMIMG-VWLOTQADSA-N 1 1 450.627 3.695 20 0 JHADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cn1 ZINC001311633224 1069480444 /nfs/dbraw/zinc/48/04/44/1069480444.db2.gz XPCBYCROYUYACB-LJQANCHMSA-N 1 1 456.591 3.801 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306730563 1069482545 /nfs/dbraw/zinc/48/25/45/1069482545.db2.gz NTKDORQBKVYGBL-LEWJYISDSA-N 1 1 488.702 3.785 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001306731982 1069487899 /nfs/dbraw/zinc/48/78/99/1069487899.db2.gz UDWFESVQFDTHOJ-DEOSSOPVSA-N 1 1 466.674 3.777 20 0 JHADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001311651891 1069489157 /nfs/dbraw/zinc/48/91/57/1069489157.db2.gz BCZYBVKGNBLDJI-QGZVFWFLSA-N 1 1 453.852 3.781 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)C)n2C[C@H]2CCCn3cc[nH+]c32)C1 ZINC001306732411 1069489730 /nfs/dbraw/zinc/48/97/30/1069489730.db2.gz OZUGDVYAUQHQLQ-NJDAHSKKSA-N 1 1 455.651 3.772 20 0 JHADMO C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493373 /nfs/dbraw/zinc/49/33/73/1069493373.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 1 1 450.627 3.713 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306733632 1069493854 /nfs/dbraw/zinc/49/38/54/1069493854.db2.gz LBPRSJQYJVXRQJ-JTHBVZDNSA-N 1 1 488.721 3.643 20 0 JHADMO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001311695879 1069507980 /nfs/dbraw/zinc/50/79/80/1069507980.db2.gz GMKNMFINCDMCIU-MOPGFXCFSA-N 1 1 457.562 3.633 20 0 JHADMO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001311695882 1069508031 /nfs/dbraw/zinc/50/80/31/1069508031.db2.gz GMKNMFINCDMCIU-RTBURBONSA-N 1 1 457.562 3.633 20 0 JHADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001311701490 1069510323 /nfs/dbraw/zinc/51/03/23/1069510323.db2.gz WLBQAZJOJOXYMS-CVDCTZTESA-N 1 1 455.672 3.752 20 0 JHADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001311701490 1069510333 /nfs/dbraw/zinc/51/03/33/1069510333.db2.gz WLBQAZJOJOXYMS-CVDCTZTESA-N 1 1 455.672 3.752 20 0 JHADMO COc1cccc([C@H](O)C2CCN(C(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001311720106 1069518946 /nfs/dbraw/zinc/51/89/46/1069518946.db2.gz MPGKIYUKJYZIAJ-RUZDIDTESA-N 1 1 451.611 3.987 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001306743951 1069523591 /nfs/dbraw/zinc/52/35/91/1069523591.db2.gz STVQGDCBXLXUDF-UHFFFAOYSA-N 1 1 466.674 3.810 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001306746496 1069531592 /nfs/dbraw/zinc/53/15/92/1069531592.db2.gz PABIFPDULNMBCU-GMAHTHKFSA-N 1 1 474.694 3.569 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1OC ZINC001306748309 1069537947 /nfs/dbraw/zinc/53/79/47/1069537947.db2.gz FGSYGDFRRMVUDQ-HHHXNRCGSA-N 1 1 498.672 3.531 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760437 1069535874 /nfs/dbraw/zinc/53/58/74/1069535874.db2.gz COFSTDVUBQVWGK-BWKNWUBXSA-N 1 1 454.590 3.505 20 0 JHADMO C[C@H](CNC(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)[N@H+]1CCc2ccccc2C1 ZINC001311791453 1069546911 /nfs/dbraw/zinc/54/69/11/1069546911.db2.gz KBVXEGWHFIFCRP-HXUWFJFHSA-N 1 1 456.631 3.866 20 0 JHADMO COc1cc2[nH]c(CCCNC(=O)NC[C@H](C)[N@@H+]3CCc4sccc4C3)cc2c(OC)c1 ZINC001311795300 1069548699 /nfs/dbraw/zinc/54/86/99/1069548699.db2.gz RJRZGMYGXDFOGV-INIZCTEOSA-N 1 1 456.612 3.925 20 0 JHADMO COc1cc2[nH]c(CCCNC(=O)NC[C@H](C)[N@H+]3CCc4sccc4C3)cc2c(OC)c1 ZINC001311795300 1069548705 /nfs/dbraw/zinc/54/87/05/1069548705.db2.gz RJRZGMYGXDFOGV-INIZCTEOSA-N 1 1 456.612 3.925 20 0 JHADMO CCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001306760899 1069561112 /nfs/dbraw/zinc/56/11/12/1069561112.db2.gz MDKPBELIZSTQTE-KRWDZBQOSA-N 1 1 454.402 3.589 20 0 JHADMO CCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001306760899 1069561118 /nfs/dbraw/zinc/56/11/18/1069561118.db2.gz MDKPBELIZSTQTE-KRWDZBQOSA-N 1 1 454.402 3.589 20 0 JHADMO CCCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001306769649 1069569047 /nfs/dbraw/zinc/56/90/47/1069569047.db2.gz FIHRDTSHWIFAIB-CQSZACIVSA-N 1 1 456.816 3.928 20 0 JHADMO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306765346 1069566875 /nfs/dbraw/zinc/56/68/75/1069566875.db2.gz BFUWVGGHYKDKAA-BGYRXZFFSA-N 1 1 465.646 3.796 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)C1 ZINC001306778984 1069574436 /nfs/dbraw/zinc/57/44/36/1069574436.db2.gz CLNSCQMCEZJIEF-OALUTQOASA-N 1 1 455.582 3.507 20 0 JHADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2)cc1 ZINC001311845832 1069576337 /nfs/dbraw/zinc/57/63/37/1069576337.db2.gz BHKNOUKIVUKGFZ-VXKWHMMOSA-N 1 1 453.627 3.992 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)C1 ZINC001306780231 1069576674 /nfs/dbraw/zinc/57/66/74/1069576674.db2.gz MDSXFNAGMWQMIC-WOIUINJBSA-N 1 1 478.037 3.655 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001306780440 1069577692 /nfs/dbraw/zinc/57/76/92/1069577692.db2.gz NPZXRRAHIBOVIK-BEIWTESXSA-N 1 1 499.523 3.751 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001306780756 1069577844 /nfs/dbraw/zinc/57/78/44/1069577844.db2.gz PETWMIGDHAPTFZ-BJLQDIEVSA-N 1 1 493.494 3.765 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)C1 ZINC001306783419 1069582485 /nfs/dbraw/zinc/58/24/85/1069582485.db2.gz HEVWIQLDLVVCFK-LJQANCHMSA-N 1 1 472.703 3.922 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001306783804 1069583618 /nfs/dbraw/zinc/58/36/18/1069583618.db2.gz PIBLTIPMGHZZTA-HKBOAZHASA-N 1 1 478.682 3.849 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)OC)C1 ZINC001306782642 1069581189 /nfs/dbraw/zinc/58/11/89/1069581189.db2.gz DSXRDOLAHCAYGW-IAGOWNOFSA-N 1 1 450.425 3.911 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)C1 ZINC001306784177 1069584199 /nfs/dbraw/zinc/58/41/99/1069584199.db2.gz QFYAQLSVVYJHPK-NRFANRHFSA-N 1 1 452.647 3.625 20 0 JHADMO CC(C)(C)OC(=O)N(CCNC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001311858822 1069584469 /nfs/dbraw/zinc/58/44/69/1069584469.db2.gz SAWKCBULZWCCSC-FSSWDIPSSA-N 1 1 456.631 3.986 20 0 JHADMO 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 ZINC001306784621 1069584881 /nfs/dbraw/zinc/58/48/81/1069584881.db2.gz QOWOPSMKMWBOIN-FKBYEOEOSA-N 1 1 492.709 3.843 20 0 JHADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001311869980 1069588435 /nfs/dbraw/zinc/58/84/35/1069588435.db2.gz BXEHTSCNLIMXSX-VXKWHMMOSA-N 1 1 458.965 3.938 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)C1 ZINC001306784918 1069585251 /nfs/dbraw/zinc/58/52/51/1069585251.db2.gz MXEKDDVDUICPGY-SFHVURJKSA-N 1 1 461.054 3.929 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)COCCO2)C1 ZINC001306784468 1069585308 /nfs/dbraw/zinc/58/53/08/1069585308.db2.gz LKMOEWWJCZMHEY-MBSDFSHPSA-N 1 1 492.462 3.681 20 0 JHADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CCOC[C@@H]1CC1CCOCC1 ZINC001311870511 1069588489 /nfs/dbraw/zinc/58/84/89/1069588489.db2.gz JMRCIKGIJXYPIJ-GOTSBHOMSA-N 1 1 450.023 3.922 20 0 JHADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CCOC[C@@H]1CC1CCOCC1 ZINC001311870511 1069588497 /nfs/dbraw/zinc/58/84/97/1069588497.db2.gz JMRCIKGIJXYPIJ-GOTSBHOMSA-N 1 1 450.023 3.922 20 0 JHADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC(Cc4cc(F)cc(F)c4)CC3)c2)CC1 ZINC001311860867 1069586208 /nfs/dbraw/zinc/58/62/08/1069586208.db2.gz MOMBOWCBJUXELI-UHFFFAOYSA-N 1 1 456.581 3.877 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccn3C)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001306785318 1069586881 /nfs/dbraw/zinc/58/68/81/1069586881.db2.gz QJYLVFGNEITSOH-GOSISDBHSA-N 1 1 491.562 3.945 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)C)C1 ZINC001306786694 1069589158 /nfs/dbraw/zinc/58/91/58/1069589158.db2.gz WTMYMSCIISWQKE-FQEVSTJZSA-N 1 1 463.630 3.576 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001306786664 1069590040 /nfs/dbraw/zinc/59/00/40/1069590040.db2.gz YDFKMCQNENLZQK-NRFANRHFSA-N 1 1 482.673 3.770 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC001306786624 1069590050 /nfs/dbraw/zinc/59/00/50/1069590050.db2.gz XOZKZMQJRFKHNJ-JAXLGGSGSA-N 1 1 457.667 3.688 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001306789107 1069594727 /nfs/dbraw/zinc/59/47/27/1069594727.db2.gz NRVFETIXJDBVHY-VWLOTQADSA-N 1 1 496.700 3.901 20 0 JHADMO 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CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)C ZINC001307056435 1069827404 /nfs/dbraw/zinc/82/74/04/1069827404.db2.gz SVIYASMKFHZUJY-GOSISDBHSA-N 1 1 465.017 3.963 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001307056534 1069828911 /nfs/dbraw/zinc/82/89/11/1069828911.db2.gz AUAZOCHTMVAHSP-XMMPIXPASA-N 1 1 497.688 3.833 20 0 JHADMO CCOc1cccc(N2CCN(c3nnc(CC(C)C)n3CC[N@@H+](C)C3CCCCC3)CC2)n1 ZINC001314209752 1069829229 /nfs/dbraw/zinc/82/92/29/1069829229.db2.gz ZFQNMRKTSSELCC-UHFFFAOYSA-N 1 1 469.678 3.861 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001307056888 1069829869 /nfs/dbraw/zinc/82/98/69/1069829869.db2.gz CSJWTVNWMUIHPD-TZIWHRDSSA-N 1 1 489.690 3.613 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 ZINC001307056680 1069829921 /nfs/dbraw/zinc/82/99/21/1069829921.db2.gz WDRHNBVTDOSYHK-WBVHZDCISA-N 1 1 451.413 3.525 20 0 JHADMO CCOc1cccc(Cn2c(N3CC[C@](C)([NH+]4CCOCC4)C3)nnc2C(C)(C)C)c1OC(F)F ZINC001314210036 1069830691 /nfs/dbraw/zinc/83/06/91/1069830691.db2.gz SBXVKNIZZBJBNV-VWLOTQADSA-N 1 1 493.599 3.925 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001307058280 1069837838 /nfs/dbraw/zinc/83/78/38/1069837838.db2.gz ZFIVAFAKEJWFPC-SVFBPWRDSA-N 1 1 457.619 3.840 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001307057875 1069836364 /nfs/dbraw/zinc/83/63/64/1069836364.db2.gz GKLKBWLKMJSISQ-FXAWDEMLSA-N 1 1 499.651 3.971 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001307057919 1069836933 /nfs/dbraw/zinc/83/69/33/1069836933.db2.gz GSJCKEDPOYRAAB-GRMGDBHTSA-N 1 1 480.682 3.902 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001307058827 1069842493 /nfs/dbraw/zinc/84/24/93/1069842493.db2.gz QLGFZGCTNWVKLY-WSTZPKSXSA-N 1 1 495.640 3.920 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001307059296 1069844525 /nfs/dbraw/zinc/84/45/25/1069844525.db2.gz RKRILZZKDGXKQR-JOCHJYFZSA-N 1 1 460.617 3.829 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001307059487 1069846003 /nfs/dbraw/zinc/84/60/03/1069846003.db2.gz XGBRNTWLYYLRKC-YPAWHYETSA-N 1 1 490.693 3.882 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307060010 1069846460 /nfs/dbraw/zinc/84/64/60/1069846460.db2.gz ZAABNXSJSVOUIT-FGZHOGPDSA-N 1 1 461.676 3.825 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307060014 1069846521 /nfs/dbraw/zinc/84/65/21/1069846521.db2.gz ZAABNXSJSVOUIT-YADHBBJMSA-N 1 1 461.676 3.825 20 0 JHADMO C[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC001312307777 1069852723 /nfs/dbraw/zinc/85/27/23/1069852723.db2.gz YKRBYLIARFGPEA-RBUKOAKNSA-N 1 1 452.361 3.805 20 0 JHADMO 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CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001314304521 1070090495 /nfs/dbraw/zinc/09/04/95/1070090495.db2.gz YTNYRBFVTRGELB-CJTFWIGWSA-N 1 1 455.647 3.977 20 0 JHADMO CCOCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314304816 1070090946 /nfs/dbraw/zinc/09/09/46/1070090946.db2.gz VHVCROFOBTVQMP-IFMALSPDSA-N 1 1 490.718 3.506 20 0 JHADMO CCOCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314310946 1070098669 /nfs/dbraw/zinc/09/86/69/1070098669.db2.gz XAVNGROVFQVNIL-FUHIMQAGSA-N 1 1 498.441 3.833 20 0 JHADMO CCOCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001314310946 1070098689 /nfs/dbraw/zinc/09/86/89/1070098689.db2.gz XAVNGROVFQVNIL-FUHIMQAGSA-N 1 1 498.441 3.833 20 0 JHADMO CCOCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001314310648 1070098884 /nfs/dbraw/zinc/09/88/84/1070098884.db2.gz PPIZAVHSNSRMBF-HDICACEKSA-N 1 1 454.619 3.506 20 0 JHADMO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC001307639777 1070095564 /nfs/dbraw/zinc/09/55/64/1070095564.db2.gz KCCBKRGYJVMYOY-ORAYPTAESA-N 1 1 456.395 3.655 20 0 JHADMO CCOCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001314310648 1070098896 /nfs/dbraw/zinc/09/88/96/1070098896.db2.gz PPIZAVHSNSRMBF-HDICACEKSA-N 1 1 454.619 3.506 20 0 JHADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642125 1070097835 /nfs/dbraw/zinc/09/78/35/1070097835.db2.gz KPKOSDLUJWBVJN-VQTJNVASSA-N 1 1 456.606 3.846 20 0 JHADMO O=C(NC/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001312753677 1070104470 /nfs/dbraw/zinc/10/44/70/1070104470.db2.gz AMDAJTKUTZASPU-JXIMZPAUSA-N 1 1 458.400 3.645 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758814 1070107758 /nfs/dbraw/zinc/10/77/58/1070107758.db2.gz ZZJQKRLKLCWNRT-REHUZNOOSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758814 1070107762 /nfs/dbraw/zinc/10/77/62/1070107762.db2.gz ZZJQKRLKLCWNRT-REHUZNOOSA-N 1 1 452.574 3.794 20 0 JHADMO 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 1070109606 /nfs/dbraw/zinc/10/96/06/1070109606.db2.gz UHMRFMIEHBILOO-NNXSRULWSA-N 1 1 471.646 3.669 20 0 JHADMO C[N@@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@H]1Cc1ccccc1 ZINC001312765404 1070111505 /nfs/dbraw/zinc/11/15/05/1070111505.db2.gz MQTGSDWTEBDSTB-FCHUYYIVSA-N 1 1 456.631 3.877 20 0 JHADMO C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@H]1Cc1ccccc1 ZINC001312765404 1070111510 /nfs/dbraw/zinc/11/15/10/1070111510.db2.gz MQTGSDWTEBDSTB-FCHUYYIVSA-N 1 1 456.631 3.877 20 0 JHADMO COc1ccc(C[C@](C)(CO)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001312768509 1070112864 /nfs/dbraw/zinc/11/28/64/1070112864.db2.gz PXJKTLKDCGVYSH-SGLZHPSQSA-N 1 1 451.611 3.874 20 0 JHADMO C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671515 1070115555 /nfs/dbraw/zinc/11/55/55/1070115555.db2.gz XJTZWTSZMMMZHP-RZQQEMMASA-N 1 1 452.521 3.535 20 0 JHADMO CCOCc1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314329626 1070120707 /nfs/dbraw/zinc/12/07/07/1070120707.db2.gz XUDLIKVSSHXBTG-CTNGQTDRSA-N 1 1 497.562 3.503 20 0 JHADMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC001307686563 1070125460 /nfs/dbraw/zinc/12/54/60/1070125460.db2.gz RJLUYFVNWNWSSV-STQMWFEESA-N 1 1 455.374 3.539 20 0 JHADMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001307689685 1070127319 /nfs/dbraw/zinc/12/73/19/1070127319.db2.gz ZMXFDFIGPZKDBU-CYBMUJFWSA-N 1 1 457.358 3.632 20 0 JHADMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001307689685 1070127325 /nfs/dbraw/zinc/12/73/25/1070127325.db2.gz ZMXFDFIGPZKDBU-CYBMUJFWSA-N 1 1 457.358 3.632 20 0 JHADMO CCOCc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001314333462 1070127953 /nfs/dbraw/zinc/12/79/53/1070127953.db2.gz CTKNLOJUBNJFOP-TZIWHRDSSA-N 1 1 478.682 3.819 20 0 JHADMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001307705071 1070136044 /nfs/dbraw/zinc/13/60/44/1070136044.db2.gz ILLNJPMJKKXEMQ-GMAHTHKFSA-N 1 1 452.378 3.952 20 0 JHADMO CC(C)(C)CCOc1cnccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001312814537 1070138241 /nfs/dbraw/zinc/13/82/41/1070138241.db2.gz SVRBPZZODVWAQW-DHIUTWEWSA-N 1 1 454.615 3.579 20 0 JHADMO Cc1occc1C(=O)NC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001312820855 1070142103 /nfs/dbraw/zinc/14/21/03/1070142103.db2.gz GGGUSBXIJMNZAE-JOCHJYFZSA-N 1 1 452.599 3.794 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001314342532 1070144216 /nfs/dbraw/zinc/14/42/16/1070144216.db2.gz HLZNTBAXMBRRIA-BGYRXZFFSA-N 1 1 489.636 3.531 20 0 JHADMO CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719515 1070145305 /nfs/dbraw/zinc/14/53/05/1070145305.db2.gz NKAFFFIWMMXAOJ-WOJBJXKFSA-N 1 1 459.553 3.698 20 0 JHADMO CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719515 1070145309 /nfs/dbraw/zinc/14/53/09/1070145309.db2.gz NKAFFFIWMMXAOJ-WOJBJXKFSA-N 1 1 459.553 3.698 20 0 JHADMO CCOCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314344985 1070149897 /nfs/dbraw/zinc/14/98/97/1070149897.db2.gz DKIUJOMQUKEGLQ-PMACEKPBSA-N 1 1 478.682 3.676 20 0 JHADMO NC(=O)C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 ZINC001312840572 1070149959 /nfs/dbraw/zinc/14/99/59/1070149959.db2.gz VGWUWQOJXGBKCD-CCDWMCETSA-N 1 1 460.553 3.710 20 0 JHADMO 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 1070153051 /nfs/dbraw/zinc/15/30/51/1070153051.db2.gz RWZFPFGNQMWSCT-UYAOXDASSA-N 1 1 451.633 3.551 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001307741504 1070161275 /nfs/dbraw/zinc/16/12/75/1070161275.db2.gz JTMBXISPHQTOGL-QGZVFWFLSA-N 1 1 457.596 3.638 20 0 JHADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001307741504 1070161282 /nfs/dbraw/zinc/16/12/82/1070161282.db2.gz JTMBXISPHQTOGL-QGZVFWFLSA-N 1 1 457.596 3.638 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001314348714 1070159857 /nfs/dbraw/zinc/15/98/57/1070159857.db2.gz JLMQDMCYXJAPJH-WIYYLYMNSA-N 1 1 471.005 3.824 20 0 JHADMO CCOCc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001314349417 1070163641 /nfs/dbraw/zinc/16/36/41/1070163641.db2.gz NCESLQZRKGCPGE-CPJSRVTESA-N 1 1 459.610 3.706 20 0 JHADMO CCOCc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001314349418 1070163658 /nfs/dbraw/zinc/16/36/58/1070163658.db2.gz NCESLQZRKGCPGE-NBGIEHNGSA-N 1 1 459.610 3.706 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001312884386 1070166329 /nfs/dbraw/zinc/16/63/29/1070166329.db2.gz GAVGGTCDUQOAKF-PZUNEJSGSA-N 1 1 453.627 3.854 20 0 JHADMO CC[NH+]1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC001307743298 1070162219 /nfs/dbraw/zinc/16/22/19/1070162219.db2.gz DLOOOJFKKVALAY-UHFFFAOYSA-N 1 1 454.590 3.587 20 0 JHADMO 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 1070176053 /nfs/dbraw/zinc/17/60/53/1070176053.db2.gz SYOIMMXMNYHERG-RWMBFGLXSA-N 1 1 452.304 3.513 20 0 JHADMO CCOCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314358821 1070181487 /nfs/dbraw/zinc/18/14/87/1070181487.db2.gz OFQAVHPEVXELLZ-KRWDZBQOSA-N 1 1 489.546 3.707 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](c3nc(CC)cs3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001314363749 1070190321 /nfs/dbraw/zinc/19/03/21/1070190321.db2.gz GZHLEABEVXZJSJ-FPOVZHCZSA-N 1 1 476.691 3.574 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1(SC)CCOCC1 ZINC001314363926 1070191142 /nfs/dbraw/zinc/19/11/42/1070191142.db2.gz FFNQXOSJIMXIEU-LEWJYISDSA-N 1 1 465.708 3.818 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001307812345 1070195176 /nfs/dbraw/zinc/19/51/76/1070195176.db2.gz OVQNTDCRWKXVKH-YJBOKZPZSA-N 1 1 451.327 3.995 20 0 JHADMO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001307812345 1070195179 /nfs/dbraw/zinc/19/51/79/1070195179.db2.gz OVQNTDCRWKXVKH-YJBOKZPZSA-N 1 1 451.327 3.995 20 0 JHADMO CCOC(=O)[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1nc(Br)sc1C ZINC001307817830 1070198662 /nfs/dbraw/zinc/19/86/62/1070198662.db2.gz LFVNKRFJDOAMII-USXIJHARSA-N 1 1 456.381 3.992 20 0 JHADMO CCOC(=O)[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1nc(Br)sc1C ZINC001307817830 1070198667 /nfs/dbraw/zinc/19/86/67/1070198667.db2.gz LFVNKRFJDOAMII-USXIJHARSA-N 1 1 456.381 3.992 20 0 JHADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC001312964304 1070202046 /nfs/dbraw/zinc/20/20/46/1070202046.db2.gz PEEDPTZJQDTPTO-UHFFFAOYSA-N 1 1 457.663 3.559 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCCN1CCCCCC1=O ZINC001314368986 1070204800 /nfs/dbraw/zinc/20/48/00/1070204800.db2.gz YKAPDUYPIAWISQ-DHIUTWEWSA-N 1 1 474.694 3.698 20 0 JHADMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307856539 1070213398 /nfs/dbraw/zinc/21/33/98/1070213398.db2.gz ISRFIDPKMOOJJW-RBUKOAKNSA-N 1 1 458.599 3.786 20 0 JHADMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001307856539 1070213405 /nfs/dbraw/zinc/21/34/05/1070213405.db2.gz ISRFIDPKMOOJJW-RBUKOAKNSA-N 1 1 458.599 3.786 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001314374203 1070212706 /nfs/dbraw/zinc/21/27/06/1070212706.db2.gz AUMVDLOCXHCTIC-OAQYLSRUSA-N 1 1 486.636 3.571 20 0 JHADMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307861319 1070214906 /nfs/dbraw/zinc/21/49/06/1070214906.db2.gz QHZJZSDTVZOBAD-UHFFFAOYSA-N 1 1 450.023 3.861 20 0 JHADMO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1c1ccc(F)cc1F ZINC001307860709 1070214963 /nfs/dbraw/zinc/21/49/63/1070214963.db2.gz NDELLAXAWCFNAT-LSDHHAIUSA-N 1 1 454.267 3.845 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1c1ccc(F)cc1F ZINC001307860709 1070214972 /nfs/dbraw/zinc/21/49/72/1070214972.db2.gz NDELLAXAWCFNAT-LSDHHAIUSA-N 1 1 454.267 3.845 20 0 JHADMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(S(=O)(=O)N(C)C)cc1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307866109 1070217338 /nfs/dbraw/zinc/21/73/38/1070217338.db2.gz VSUORLWQOIRTQT-GOSISDBHSA-N 1 1 451.633 3.548 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001314377563 1070219921 /nfs/dbraw/zinc/21/99/21/1070219921.db2.gz FCSBPGMYPYZILC-HXUWFJFHSA-N 1 1 478.682 3.772 20 0 JHADMO 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 1070219974 /nfs/dbraw/zinc/21/99/74/1070219974.db2.gz LBQACARRKDYYDS-LMMUWCHVSA-N 1 1 460.615 3.804 20 0 JHADMO CCOCc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314378218 1070221070 /nfs/dbraw/zinc/22/10/70/1070221070.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 1 1 472.653 3.786 20 0 JHADMO CCOCc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314378218 1070221077 /nfs/dbraw/zinc/22/10/77/1070221077.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 1 1 472.653 3.786 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001314378688 1070221899 /nfs/dbraw/zinc/22/18/99/1070221899.db2.gz OLDZJTDALQKEAX-UHFFFAOYSA-N 1 1 464.655 3.526 20 0 JHADMO CCC[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1CCOC ZINC001313024736 1070224656 /nfs/dbraw/zinc/22/46/56/1070224656.db2.gz RNHMNOJLCHPLQL-FQEVSTJZSA-N 1 1 452.437 3.914 20 0 JHADMO 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 1070236614 /nfs/dbraw/zinc/23/66/14/1070236614.db2.gz ZNRNYEIYABFMCS-UWHLTILDSA-N 1 1 450.620 3.846 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1ccc(OC)c(OC)c1 ZINC001314388224 1070238210 /nfs/dbraw/zinc/23/82/10/1070238210.db2.gz IDFNEJXUVLNBQQ-SFHVURJKSA-N 1 1 471.627 3.825 20 0 JHADMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916462 1070239402 /nfs/dbraw/zinc/23/94/02/1070239402.db2.gz CKYZTASMMPVCMY-SJLPKXTDSA-N 1 1 454.468 3.955 20 0 JHADMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916462 1070239416 /nfs/dbraw/zinc/23/94/16/1070239416.db2.gz CKYZTASMMPVCMY-SJLPKXTDSA-N 1 1 454.468 3.955 20 0 JHADMO CCOCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001314392058 1070247116 /nfs/dbraw/zinc/24/71/16/1070247116.db2.gz ZJLKPJANGRIUJF-IBGZPJMESA-N 1 1 482.654 3.509 20 0 JHADMO 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CCN(CC)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001313655455 1070844549 /nfs/dbraw/zinc/84/45/49/1070844549.db2.gz NTGZZSKRMWMLHL-VWLOTQADSA-N 1 1 495.716 3.912 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314694053 1070854790 /nfs/dbraw/zinc/85/47/90/1070854790.db2.gz LFTGELOGDTUYDT-JOCHJYFZSA-N 1 1 455.647 3.509 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314692363 1070853182 /nfs/dbraw/zinc/85/31/82/1070853182.db2.gz AGICNOHSHFAFAA-KTBRYMIGSA-N 1 1 457.688 3.879 20 0 JHADMO CN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314694720 1070856455 /nfs/dbraw/zinc/85/64/55/1070856455.db2.gz RJKVMQGQYSWGIT-OAQYLSRUSA-N 1 1 492.709 3.549 20 0 JHADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001314708052 1070880685 /nfs/dbraw/zinc/88/06/85/1070880685.db2.gz FHMLSHYJYZJEOR-DBXWQHBBSA-N 1 1 474.675 3.625 20 0 JHADMO 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CC[NH+](CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccco1 ZINC001313673849 1070909150 /nfs/dbraw/zinc/90/91/50/1070909150.db2.gz LYTRWEBQETWZGE-OAQYLSRUSA-N 1 1 489.617 3.774 20 0 JHADMO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001309684938 1070922081 /nfs/dbraw/zinc/92/20/81/1070922081.db2.gz UHCFWGKXVFIQKL-HXUWFJFHSA-N 1 1 450.988 3.658 20 0 JHADMO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001309684938 1070922103 /nfs/dbraw/zinc/92/21/03/1070922103.db2.gz UHCFWGKXVFIQKL-HXUWFJFHSA-N 1 1 450.988 3.658 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccco1 ZINC001313677402 1070924442 /nfs/dbraw/zinc/92/44/42/1070924442.db2.gz KCHIYZDNTIUIDN-MSOLQXFVSA-N 1 1 483.535 3.806 20 0 JHADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314727383 1070937427 /nfs/dbraw/zinc/93/74/27/1070937427.db2.gz UZSIKXHBGQMGBN-LJQANCHMSA-N 1 1 481.563 3.938 20 0 JHADMO 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C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001314922402 1071365649 /nfs/dbraw/zinc/36/56/49/1071365649.db2.gz CZOORFCLEPQZFK-HYBUGGRVSA-N 1 1 495.590 3.857 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001313860035 1071366754 /nfs/dbraw/zinc/36/67/54/1071366754.db2.gz IONRTSGHYGLDBL-FGTMMUONSA-N 1 1 475.037 3.517 20 0 JHADMO CN(Cc1cscn1)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314924635 1071367502 /nfs/dbraw/zinc/36/75/02/1071367502.db2.gz VMMCZWDNLLRTEG-IBGZPJMESA-N 1 1 497.850 3.521 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313860485 1071369604 /nfs/dbraw/zinc/36/96/04/1071369604.db2.gz LGMVDOFOFJNRKO-QZTJIDSGSA-N 1 1 478.588 3.628 20 0 JHADMO CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001314927014 1071369868 /nfs/dbraw/zinc/36/98/68/1071369868.db2.gz TZQYCTJHRKTYND-UHFFFAOYSA-N 1 1 489.462 3.641 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313861552 1071373937 /nfs/dbraw/zinc/37/39/37/1071373937.db2.gz NQZLWFIZNWSCIJ-VQTJNVASSA-N 1 1 477.657 3.883 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861539 1071374330 /nfs/dbraw/zinc/37/43/30/1071374330.db2.gz NNQQPZPCCUKTMH-JENIJYKNSA-N 1 1 450.027 3.931 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@H]1C ZINC001313861883 1071375257 /nfs/dbraw/zinc/37/52/57/1071375257.db2.gz RLSQBJNPJGYGJO-MSOLQXFVSA-N 1 1 479.094 3.924 20 0 JHADMO C[N@H+]1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932057 1071377727 /nfs/dbraw/zinc/37/77/27/1071377727.db2.gz YADHIQMGSWNWON-KRWDZBQOSA-N 1 1 482.570 3.655 20 0 JHADMO CN1CC[N@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932057 1071377740 /nfs/dbraw/zinc/37/77/40/1071377740.db2.gz YADHIQMGSWNWON-KRWDZBQOSA-N 1 1 482.570 3.655 20 0 JHADMO CN1CC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932057 1071377751 /nfs/dbraw/zinc/37/77/51/1071377751.db2.gz YADHIQMGSWNWON-KRWDZBQOSA-N 1 1 482.570 3.655 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313863676 1071382112 /nfs/dbraw/zinc/38/21/12/1071382112.db2.gz WJWFYYOWEQSYGP-SFTDATJTSA-N 1 1 478.645 3.661 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@H]1C ZINC001313863817 1071383286 /nfs/dbraw/zinc/38/32/86/1071383286.db2.gz TVOAFKRHCOCRJY-SJORKVTESA-N 1 1 472.435 3.717 20 0 JHADMO C[N@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1(C)C ZINC001314932064 1071378413 /nfs/dbraw/zinc/37/84/13/1071378413.db2.gz YNRNENYKAJUYIY-UHFFFAOYSA-N 1 1 496.744 3.714 20 0 JHADMO CN1CC[N@H+](CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1(C)C ZINC001314932064 1071378423 /nfs/dbraw/zinc/37/84/23/1071378423.db2.gz YNRNENYKAJUYIY-UHFFFAOYSA-N 1 1 496.744 3.714 20 0 JHADMO CN1CC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1(C)C ZINC001314932064 1071378441 /nfs/dbraw/zinc/37/84/41/1071378441.db2.gz YNRNENYKAJUYIY-UHFFFAOYSA-N 1 1 496.744 3.714 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313863182 1071380349 /nfs/dbraw/zinc/38/03/49/1071380349.db2.gz VAKSANJHKUPTIL-RTWAWAEBSA-N 1 1 481.645 3.785 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@H]1C ZINC001313863884 1071384046 /nfs/dbraw/zinc/38/40/46/1071384046.db2.gz UONPSQFOAFAGPQ-HZPDHXFCSA-N 1 1 458.408 3.592 20 0 JHADMO 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 1071384063 /nfs/dbraw/zinc/38/40/63/1071384063.db2.gz FFZDFMWUFMXKBL-YCPHGPKFSA-N 1 1 460.932 3.880 20 0 JHADMO COC(=O)CCc1csc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC001310426584 1071385089 /nfs/dbraw/zinc/38/50/89/1071385089.db2.gz MBFIQRFNUQEBEB-OAHLLOKOSA-N 1 1 456.490 3.664 20 0 JHADMO 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 1071388539 /nfs/dbraw/zinc/38/85/39/1071388539.db2.gz GTMVVDPPIXDNBI-KZNAEPCWSA-N 1 1 486.617 3.506 20 0 JHADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCC(C)C)c2ccccc2c1=O ZINC001313864628 1071387560 /nfs/dbraw/zinc/38/75/60/1071387560.db2.gz MKBHHTQZJOSPOJ-OALUTQOASA-N 1 1 451.619 3.640 20 0 JHADMO 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 1071394272 /nfs/dbraw/zinc/39/42/72/1071394272.db2.gz YHOCHHGORWTULS-NXMSCROESA-N 1 1 476.691 3.554 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865506 1071392870 /nfs/dbraw/zinc/39/28/70/1071392870.db2.gz DWDCDUAARJWEGW-ZQIUZPCESA-N 1 1 486.361 3.697 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313865744 1071393132 /nfs/dbraw/zinc/39/31/32/1071393132.db2.gz XICKWROYDRJMBC-HSALFYBXSA-N 1 1 486.636 3.735 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001314941541 1071393949 /nfs/dbraw/zinc/39/39/49/1071393949.db2.gz KCPNHBYDWSLHLS-RBBKRZOGSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864805 1071389430 /nfs/dbraw/zinc/38/94/30/1071389430.db2.gz NFULPGVEDTUJSV-UXHICEINSA-N 1 1 471.650 3.872 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313866250 1071394910 /nfs/dbraw/zinc/39/49/10/1071394910.db2.gz FQLWBZJHFFNPNS-WOJBJXKFSA-N 1 1 456.038 3.922 20 0 JHADMO 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 1071395017 /nfs/dbraw/zinc/39/50/17/1071395017.db2.gz JDOCDJPYFINBQP-JEZSTIGHSA-N 1 1 468.429 3.711 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866595 1071396615 /nfs/dbraw/zinc/39/66/15/1071396615.db2.gz KEMCXEFEPAURHS-LEWJYISDSA-N 1 1 498.672 3.674 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313867156 1071399142 /nfs/dbraw/zinc/39/91/42/1071399142.db2.gz MCMTVCJIXNQABT-HOTGVXAUSA-N 1 1 471.524 3.808 20 0 JHADMO 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 1071400916 /nfs/dbraw/zinc/40/09/16/1071400916.db2.gz MSCCYATYUCSXDD-UFYCRDLUSA-N 1 1 457.619 3.696 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313868560 1071405572 /nfs/dbraw/zinc/40/55/72/1071405572.db2.gz BVIIBRAUSJRIKJ-OALUTQOASA-N 1 1 457.623 3.564 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313867750 1071401677 /nfs/dbraw/zinc/40/16/77/1071401677.db2.gz AOTCCQMXNBYDTK-SJORKVTESA-N 1 1 475.439 3.632 20 0 JHADMO 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 1071406331 /nfs/dbraw/zinc/40/63/31/1071406331.db2.gz NAIXIAAWWBYISG-JTJHWIPRSA-N 1 1 460.667 3.968 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313871419 1071416889 /nfs/dbraw/zinc/41/68/89/1071416889.db2.gz YZBRHFQWECMXKS-RTBURBONSA-N 1 1 481.645 3.794 20 0 JHADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313870116 1071412626 /nfs/dbraw/zinc/41/26/26/1071412626.db2.gz FQOAJASBDZBDMJ-VAMGGRTRSA-N 1 1 471.650 3.905 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@H]1C ZINC001313871673 1071417373 /nfs/dbraw/zinc/41/73/73/1071417373.db2.gz GYDXCBMWUFPLDT-MSOLQXFVSA-N 1 1 452.068 3.557 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@@H]1C ZINC001313872603 1071419873 /nfs/dbraw/zinc/41/98/73/1071419873.db2.gz JKZIPXOWNXKTDY-OALUTQOASA-N 1 1 452.603 3.542 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC001313872242 1071420098 /nfs/dbraw/zinc/42/00/98/1071420098.db2.gz IXZZMCTWFZSNBQ-MSOLQXFVSA-N 1 1 486.567 3.841 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001314951270 1071420262 /nfs/dbraw/zinc/42/02/62/1071420262.db2.gz PPOZCWKIGHMAFX-RTBURBONSA-N 1 1 463.630 3.520 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001314951269 1071420356 /nfs/dbraw/zinc/42/03/56/1071420356.db2.gz PPOZCWKIGHMAFX-RBUKOAKNSA-N 1 1 463.630 3.520 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313873241 1071424688 /nfs/dbraw/zinc/42/46/88/1071424688.db2.gz KJQIYGAOJNCWBS-QZTJIDSGSA-N 1 1 456.541 3.833 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCC[C@@H]1C ZINC001314953669 1071425993 /nfs/dbraw/zinc/42/59/93/1071425993.db2.gz XVXZKOIFWJKKKD-CABCVRRESA-N 1 1 497.869 3.664 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314953682 1071426086 /nfs/dbraw/zinc/42/60/86/1071426086.db2.gz YCUQYWWRZCIXGX-FUHWJXTLSA-N 1 1 491.478 3.566 20 0 JHADMO 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CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313897558 1071502792 /nfs/dbraw/zinc/50/27/92/1071502792.db2.gz YMCDRBJOODAYDF-RTBURBONSA-N 1 1 458.607 3.824 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001313897987 1071504359 /nfs/dbraw/zinc/50/43/59/1071504359.db2.gz ZOHZNNJHQACLTL-PKOBYXMFSA-N 1 1 451.537 3.998 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001313899105 1071507340 /nfs/dbraw/zinc/50/73/40/1071507340.db2.gz GIYSYSZNOXIPNI-RTBURBONSA-N 1 1 479.572 3.903 20 0 JHADMO CCn1nc(-c2nnc(N(C)[C@H](C)CCSC)n2C[C@H]2CCC[N@H+]2CC)c2ccccc2c1=O ZINC001313900325 1071509643 /nfs/dbraw/zinc/50/96/43/1071509643.db2.gz ANZLFJOWWYSYJY-RTBURBONSA-N 1 1 483.686 3.737 20 0 JHADMO CCn1nc(-c2nnc(N(C)[C@@H](C)CCSC)n2C[C@@H]2CCC[N@H+]2CC)c2ccccc2c1=O ZINC001313900320 1071509666 /nfs/dbraw/zinc/50/96/66/1071509666.db2.gz ANZLFJOWWYSYJY-OALUTQOASA-N 1 1 483.686 3.737 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313900785 1071510186 /nfs/dbraw/zinc/51/01/86/1071510186.db2.gz PHCCMJTVXTUJPN-JTHBVZDNSA-N 1 1 487.092 3.995 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001314994688 1071511588 /nfs/dbraw/zinc/51/15/88/1071511588.db2.gz NVASDWWNFBZTMQ-UXHICEINSA-N 1 1 482.673 3.600 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313901991 1071512422 /nfs/dbraw/zinc/51/24/22/1071512422.db2.gz VOJOZLSHPUNNCK-FPOVZHCZSA-N 1 1 494.606 3.629 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001313902582 1071513324 /nfs/dbraw/zinc/51/33/24/1071513324.db2.gz GQRTUOBXIVEQSD-UNMCSNQZSA-N 1 1 451.619 3.830 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@@H]1CCCOC1 ZINC001313902343 1071513605 /nfs/dbraw/zinc/51/36/05/1071513605.db2.gz GFKYCAJGGRWZSV-PMACEKPBSA-N 1 1 459.660 3.926 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001313904746 1071519995 /nfs/dbraw/zinc/51/99/95/1071519995.db2.gz LMSYIUIWYAWKBN-NJDAHSKKSA-N 1 1 451.656 3.660 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 ZINC001313903880 1071516811 /nfs/dbraw/zinc/51/68/11/1071516811.db2.gz FKKSNTUAKQIXLB-UGKGYDQZSA-N 1 1 486.636 3.784 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313904211 1071517304 /nfs/dbraw/zinc/51/73/04/1071517304.db2.gz SEGUCRSFEPKCKW-RTBURBONSA-N 1 1 459.038 3.776 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 ZINC001313904406 1071517572 /nfs/dbraw/zinc/51/75/72/1071517572.db2.gz HBGNMICGIRKHIZ-SFHVURJKSA-N 1 1 489.462 3.616 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313905275 1071520361 /nfs/dbraw/zinc/52/03/61/1071520361.db2.gz OUBDDINZFNYANU-MOPGFXCFSA-N 1 1 495.466 3.542 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001313904648 1071519300 /nfs/dbraw/zinc/51/93/00/1071519300.db2.gz RNQAYHKDTIBYPX-UYAOXDASSA-N 1 1 478.435 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001313905136 1071520659 /nfs/dbraw/zinc/52/06/59/1071520659.db2.gz NKGPTRLVDIGZQL-QWFCFKBJSA-N 1 1 488.658 3.706 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001313905318 1071521181 /nfs/dbraw/zinc/52/11/81/1071521181.db2.gz WDDNWSHICHGHJX-LJQANCHMSA-N 1 1 469.634 3.708 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313905289 1071521207 /nfs/dbraw/zinc/52/12/07/1071521207.db2.gz PEZYMUOEITXVFA-IBGZPJMESA-N 1 1 481.613 3.705 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315000272 1071521709 /nfs/dbraw/zinc/52/17/09/1071521709.db2.gz XBCQPZVQWZIAII-OYRHEFFESA-N 1 1 482.673 3.674 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 ZINC001313905721 1071521871 /nfs/dbraw/zinc/52/18/71/1071521871.db2.gz QWFPYRFIMWGEOB-KZKAQZJJSA-N 1 1 459.610 3.818 20 0 JHADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001315000470 1071522220 /nfs/dbraw/zinc/52/22/20/1071522220.db2.gz BFUZYUYKBLWJCE-UHFFFAOYSA-N 1 1 459.038 3.683 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001313905955 1071522719 /nfs/dbraw/zinc/52/27/19/1071522719.db2.gz WMUCMNBLYPDASE-PZJWPPBQSA-N 1 1 466.655 3.994 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001313905951 1071522910 /nfs/dbraw/zinc/52/29/10/1071522910.db2.gz WMUCMNBLYPDASE-CTNGQTDRSA-N 1 1 466.655 3.994 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 ZINC001313907241 1071526557 /nfs/dbraw/zinc/52/65/57/1071526557.db2.gz ZXHKTPNLRBAVAL-SFTDATJTSA-N 1 1 469.634 3.866 20 0 JHADMO CNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315002733 1071527558 /nfs/dbraw/zinc/52/75/58/1071527558.db2.gz HSECQAZULBFTGW-FQEVSTJZSA-N 1 1 470.687 3.573 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313909541 1071533298 /nfs/dbraw/zinc/53/32/98/1071533298.db2.gz QAVOZYVPCKECDE-IFMALSPDSA-N 1 1 455.647 3.950 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313909544 1071533350 /nfs/dbraw/zinc/53/33/50/1071533350.db2.gz QAVOZYVPCKECDE-UNMCSNQZSA-N 1 1 455.647 3.950 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001313910141 1071534676 /nfs/dbraw/zinc/53/46/76/1071534676.db2.gz VEJNCNUSCHFQSC-OFNKIYASSA-N 1 1 480.579 3.668 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O ZINC001313910140 1071534713 /nfs/dbraw/zinc/53/47/13/1071534713.db2.gz VHNCXGLUOBLZAD-ZBFHGGJFSA-N 1 1 453.418 3.826 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001315016918 1071537195 /nfs/dbraw/zinc/53/71/95/1071537195.db2.gz MTIJANPHCQKZDY-KRWDZBQOSA-N 1 1 489.462 3.544 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912118 1071538220 /nfs/dbraw/zinc/53/82/20/1071538220.db2.gz MMKORZHCSVHQTG-YADHBBJMSA-N 1 1 468.646 3.657 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313912183 1071539497 /nfs/dbraw/zinc/53/94/97/1071539497.db2.gz MUIRNYBLPMQMCE-PWRODBHTSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CCNC(C)=O)Cc1ccsc1 ZINC001313914140 1071546163 /nfs/dbraw/zinc/54/61/63/1071546163.db2.gz RZRCMDDBXMQUKO-OAQYLSRUSA-N 1 1 460.692 3.945 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001315024191 1071546769 /nfs/dbraw/zinc/54/67/69/1071546769.db2.gz MBYYAFKMUTZQID-UHFFFAOYSA-N 1 1 466.674 3.666 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315021659 1071543037 /nfs/dbraw/zinc/54/30/37/1071543037.db2.gz OWUKQALWDRUEQP-GOSISDBHSA-N 1 1 459.038 3.683 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315024961 1071548794 /nfs/dbraw/zinc/54/87/94/1071548794.db2.gz WDKBKOZAULFHTD-FQEVSTJZSA-N 1 1 488.627 3.620 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 ZINC001313915468 1071550463 /nfs/dbraw/zinc/55/04/63/1071550463.db2.gz SIJFOPSXRMBIOS-QGZVFWFLSA-N 1 1 454.402 3.875 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001313915250 1071550471 /nfs/dbraw/zinc/55/04/71/1071550471.db2.gz XEDRYDUSRHEUKX-JOCHJYFZSA-N 1 1 486.636 3.797 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001315028197 1071555589 /nfs/dbraw/zinc/55/55/89/1071555589.db2.gz ANDCZXWJGXUSPZ-OALUTQOASA-N 1 1 452.603 3.774 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)CC1 ZINC001313920799 1071559931 /nfs/dbraw/zinc/55/99/31/1071559931.db2.gz MJZSGXGDYGZGIS-SFHVURJKSA-N 1 1 493.519 3.595 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC=CCC3)CC2)CC1 ZINC001313922073 1071563913 /nfs/dbraw/zinc/56/39/13/1071563913.db2.gz CJAUNLCNOLKISB-QFIPXVFZSA-N 1 1 456.679 3.703 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3CCC(C)(F)F)CC2)CC1 ZINC001313923067 1071565118 /nfs/dbraw/zinc/56/51/18/1071565118.db2.gz GQCQVEWRRRNTLH-UHFFFAOYSA-N 1 1 468.637 3.683 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3)CC2)CC1 ZINC001313922489 1071564506 /nfs/dbraw/zinc/56/45/06/1071564506.db2.gz FSYJUBXWYXYQQO-UHFFFAOYSA-N 1 1 496.700 3.716 20 0 JHADMO CCN1CCCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C2CCCC2)CC1=O ZINC001313923732 1071568051 /nfs/dbraw/zinc/56/80/51/1071568051.db2.gz CSQHLBOGZSLXAU-UHFFFAOYSA-N 1 1 486.686 3.512 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313923925 1071569061 /nfs/dbraw/zinc/56/90/61/1071569061.db2.gz BBEMCZAZJKPIDN-FPOVZHCZSA-N 1 1 458.651 3.656 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313924591 1071570976 /nfs/dbraw/zinc/57/09/76/1071570976.db2.gz HAQBOBYDMCUCPU-QGZVFWFLSA-N 1 1 460.051 3.717 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926176 1071575591 /nfs/dbraw/zinc/57/55/91/1071575591.db2.gz ATPBUMWZHNISDD-KNQAVFIVSA-N 1 1 475.081 3.833 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313925244 1071572650 /nfs/dbraw/zinc/57/26/50/1071572650.db2.gz OCNJSJNVQKWAGI-GOSISDBHSA-N 1 1 486.462 3.698 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313925463 1071573845 /nfs/dbraw/zinc/57/38/45/1071573845.db2.gz RBHMLORSCRVZNO-KRWDZBQOSA-N 1 1 481.458 3.965 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313925501 1071573961 /nfs/dbraw/zinc/57/39/61/1071573961.db2.gz RXUHUTNFZFVTQM-CJFMBICVSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313925674 1071574037 /nfs/dbraw/zinc/57/40/37/1071574037.db2.gz UNSYGJLRDOCRNX-IBGZPJMESA-N 1 1 498.697 3.995 20 0 JHADMO CNC(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001315042608 1071574754 /nfs/dbraw/zinc/57/47/54/1071574754.db2.gz BAZUSTBDTUCNDH-UHFFFAOYSA-N 1 1 495.441 3.539 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313925959 1071574805 /nfs/dbraw/zinc/57/48/05/1071574805.db2.gz VRTBLQVSFWVGQZ-GOSISDBHSA-N 1 1 479.044 3.626 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001313925750 1071574948 /nfs/dbraw/zinc/57/49/48/1071574948.db2.gz AEMCHNANXFDXCJ-HXUWFJFHSA-N 1 1 472.678 3.546 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313926301 1071576175 /nfs/dbraw/zinc/57/61/75/1071576175.db2.gz WZDWSTMOGCXTKI-NJDAHSKKSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927765 1071581258 /nfs/dbraw/zinc/58/12/58/1071581258.db2.gz LZRHWJMGODQCHD-CTNGQTDRSA-N 1 1 486.627 3.585 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927090 1071578872 /nfs/dbraw/zinc/57/88/72/1071578872.db2.gz ZYVGBTVHKOCNRZ-QGZVFWFLSA-N 1 1 483.007 3.869 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313927216 1071579288 /nfs/dbraw/zinc/57/92/88/1071579288.db2.gz INCTYDYICQNZPE-VXKWHMMOSA-N 1 1 491.725 3.858 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313927331 1071580015 /nfs/dbraw/zinc/58/00/15/1071580015.db2.gz JCQLAHDCBRISRY-NRFANRHFSA-N 1 1 456.654 3.906 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927624 1071580526 /nfs/dbraw/zinc/58/05/26/1071580526.db2.gz KSHJRSMNZIVUJK-REWPJTCUSA-N 1 1 475.081 3.734 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927768 1071582025 /nfs/dbraw/zinc/58/20/25/1071582025.db2.gz LZRHWJMGODQCHD-TZIWHRDSSA-N 1 1 486.627 3.585 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313928006 1071582087 /nfs/dbraw/zinc/58/20/87/1071582087.db2.gz MVZAQPSAUHJTGI-NOZRDPDXSA-N 1 1 498.716 3.710 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313928478 1071583907 /nfs/dbraw/zinc/58/39/07/1071583907.db2.gz PIGKRSMLNBMHNV-FPOVZHCZSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313928957 1071585162 /nfs/dbraw/zinc/58/51/62/1071585162.db2.gz QQGORYBVSQVNPB-HSZRJFAPSA-N 1 1 482.717 3.873 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001313928965 1071585350 /nfs/dbraw/zinc/58/53/50/1071585350.db2.gz DXXZSMOLKRWRFD-VQTJNVASSA-N 1 1 491.080 3.713 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313929711 1071587346 /nfs/dbraw/zinc/58/73/46/1071587346.db2.gz UEBJOTBFESTKHK-JOCHJYFZSA-N 1 1 479.648 3.844 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313930083 1071588070 /nfs/dbraw/zinc/58/80/70/1071588070.db2.gz VAGBLAMIPFKTLN-REWPJTCUSA-N 1 1 474.694 3.612 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313930138 1071588850 /nfs/dbraw/zinc/58/88/50/1071588850.db2.gz QCUDWVNPHMAUCP-FGZHOGPDSA-N 1 1 485.696 3.747 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001313930135 1071588952 /nfs/dbraw/zinc/58/89/52/1071588952.db2.gz QCUDWVNPHMAUCP-FCHUYYIVSA-N 1 1 485.696 3.747 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001313930448 1071589285 /nfs/dbraw/zinc/58/92/85/1071589285.db2.gz COGRKZTTWQTRSY-ZDUSSCGKSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001313930448 1071589289 /nfs/dbraw/zinc/58/92/89/1071589289.db2.gz COGRKZTTWQTRSY-ZDUSSCGKSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001313930448 1071589298 /nfs/dbraw/zinc/58/92/98/1071589298.db2.gz COGRKZTTWQTRSY-ZDUSSCGKSA-N 1 1 493.841 3.561 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001313932367 1071595122 /nfs/dbraw/zinc/59/51/22/1071595122.db2.gz VGXGZWWFNSEAHP-DYXWJJEUSA-N 1 1 489.064 3.860 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC001313933214 1071597143 /nfs/dbraw/zinc/59/71/43/1071597143.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 1 1 491.478 3.731 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC[N@H+]2CC)C[C@H]1C ZINC001313933214 1071597154 /nfs/dbraw/zinc/59/71/54/1071597154.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 1 1 491.478 3.731 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001313933052 1071597344 /nfs/dbraw/zinc/59/73/44/1071597344.db2.gz ZCKWVDDNGGBVOW-GGAORHGYSA-N 1 1 484.689 3.676 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CC)C[C@@H]1C ZINC001313933712 1071599182 /nfs/dbraw/zinc/59/91/82/1071599182.db2.gz QCBSPKUUUXRBGK-HRAATJIYSA-N 1 1 450.425 3.707 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(OC)cc2)C[C@H]1C ZINC001313935046 1071604365 /nfs/dbraw/zinc/60/43/65/1071604365.db2.gz VHYKBSKYLGNRLL-QGZVFWFLSA-N 1 1 487.446 3.828 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609529 /nfs/dbraw/zinc/60/95/29/1071609529.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609532 /nfs/dbraw/zinc/60/95/32/1071609532.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@@H]1C ZINC001313937032 1071609633 /nfs/dbraw/zinc/60/96/33/1071609633.db2.gz JZOUYGQMQWJWFO-RBUKOAKNSA-N 1 1 464.655 3.553 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@@H]1C ZINC001313935686 1071606573 /nfs/dbraw/zinc/60/65/73/1071606573.db2.gz YZRRTKPMQRSVHW-MAUKXSAKSA-N 1 1 470.515 3.568 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC001313936851 1071609777 /nfs/dbraw/zinc/60/97/77/1071609777.db2.gz QMFLJHGNEUPGKH-HXUWFJFHSA-N 1 1 470.662 3.757 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001313935844 1071607166 /nfs/dbraw/zinc/60/71/66/1071607166.db2.gz ZYVORQSQIIQKJS-HNNXBMFYSA-N 1 1 459.392 3.623 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2C)C[C@@H]1C ZINC001313937391 1071610846 /nfs/dbraw/zinc/61/08/46/1071610846.db2.gz MBBWRLTXJKZHRV-JTHBVZDNSA-N 1 1 498.672 3.782 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@H]1C ZINC001313937381 1071610952 /nfs/dbraw/zinc/61/09/52/1071610952.db2.gz LWBHQMKKXUMBOE-NHCUHLMSSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313943236 1071622011 /nfs/dbraw/zinc/62/20/11/1071622011.db2.gz QMIBEMIPRWCOJC-FQEVSTJZSA-N 1 1 468.577 3.617 20 0 JHADMO 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 1071618962 /nfs/dbraw/zinc/61/89/62/1071618962.db2.gz FRIPOHLGZCCAQJ-NHCUHLMSSA-N 1 1 486.661 3.918 20 0 JHADMO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313942377 1071620225 /nfs/dbraw/zinc/62/02/25/1071620225.db2.gz IFAUDUCJDMJYMJ-GOTSBHOMSA-N 1 1 478.689 3.800 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942644 1071620786 /nfs/dbraw/zinc/62/07/86/1071620786.db2.gz JOABDOGGDOEKID-JTHBVZDNSA-N 1 1 498.716 3.688 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001313942592 1071620839 /nfs/dbraw/zinc/62/08/39/1071620839.db2.gz KSDDBHXEDHLDDF-FQEVSTJZSA-N 1 1 466.655 3.774 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001313943279 1071621996 /nfs/dbraw/zinc/62/19/96/1071621996.db2.gz RFOAOSWCTIPXME-AONNBLCTSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001313943279 1071621999 /nfs/dbraw/zinc/62/19/99/1071621999.db2.gz RFOAOSWCTIPXME-AONNBLCTSA-N 1 1 473.687 3.596 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(C)C)c2)C[C@@H]1C ZINC001313943638 1071623848 /nfs/dbraw/zinc/62/38/48/1071623848.db2.gz UHFRNFJTQZJWSY-SSPYTLHUSA-N 1 1 471.646 3.616 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)CCOC)C2)CC1 ZINC001313944908 1071625604 /nfs/dbraw/zinc/62/56/04/1071625604.db2.gz IUMJRXDBLDCRAS-JOCHJYFZSA-N 1 1 454.663 3.532 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)C[C@H]1C ZINC001313946560 1071628492 /nfs/dbraw/zinc/62/84/92/1071628492.db2.gz BFMPTACERWOWOQ-HZPDHXFCSA-N 1 1 456.418 3.977 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071629006 /nfs/dbraw/zinc/62/90/06/1071629006.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 1 1 454.663 3.528 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071629010 /nfs/dbraw/zinc/62/90/10/1071629010.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 1 1 454.663 3.528 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001313946711 1071629962 /nfs/dbraw/zinc/62/99/62/1071629962.db2.gz FCXNSAVMTRNQPD-QFIPXVFZSA-N 1 1 456.704 3.771 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946875 1071630558 /nfs/dbraw/zinc/63/05/58/1071630558.db2.gz DQHAPBLQHZYMNZ-VSKRKVRLSA-N 1 1 489.709 3.612 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313947303 1071630934 /nfs/dbraw/zinc/63/09/34/1071630934.db2.gz VTZRGVSPCOEVFS-HXUWFJFHSA-N 1 1 486.661 3.713 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC=C(C)C)C2)CC1 ZINC001313947566 1071632232 /nfs/dbraw/zinc/63/22/32/1071632232.db2.gz BFZXCRZHOGMWPF-FQEVSTJZSA-N 1 1 458.601 3.720 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@@H]1C ZINC001313947518 1071632295 /nfs/dbraw/zinc/63/22/95/1071632295.db2.gz HVTFILUGUPQJNF-RRFJBIMHSA-N 1 1 464.399 3.715 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950666 1071639372 /nfs/dbraw/zinc/63/93/72/1071639372.db2.gz BUFKIKOQXBYWTB-XXBNENTESA-N 1 1 490.643 3.705 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(F)ccc3SC)C2)CC1 ZINC001313949499 1071636479 /nfs/dbraw/zinc/63/64/79/1071636479.db2.gz YUCSKCPQDGWXJE-OAQYLSRUSA-N 1 1 474.694 3.992 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949794 1071637051 /nfs/dbraw/zinc/63/70/51/1071637051.db2.gz JYPYDEYLILPALK-LJQANCHMSA-N 1 1 453.660 3.620 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001313950438 1071638260 /nfs/dbraw/zinc/63/82/60/1071638260.db2.gz VXGSSGJUTKRRSG-RTWAWAEBSA-N 1 1 490.693 3.966 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCSC(F)(F)F)C2)CC1 ZINC001313950574 1071638780 /nfs/dbraw/zinc/63/87/80/1071638780.db2.gz WAOMNBIBKAMPSD-IBGZPJMESA-N 1 1 498.619 3.635 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313952313 1071645101 /nfs/dbraw/zinc/64/51/01/1071645101.db2.gz DOWVYCPWPDTMIR-KRWDZBQOSA-N 1 1 475.563 3.601 20 0 JHADMO 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 1071640545 /nfs/dbraw/zinc/64/05/45/1071640545.db2.gz ZSSSYCFASAMUTR-CADBVGFASA-N 1 1 489.690 3.839 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001313951279 1071641243 /nfs/dbraw/zinc/64/12/43/1071641243.db2.gz SMSRYCFDNIEOCA-JOCHJYFZSA-N 1 1 488.124 3.651 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313952333 1071645226 /nfs/dbraw/zinc/64/52/26/1071645226.db2.gz ZCTKYJFILHNHTA-ACRUOGEOSA-N 1 1 491.080 3.570 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951719 1071643072 /nfs/dbraw/zinc/64/30/72/1071643072.db2.gz VMBGLQDNCNFZJF-RBUKOAKNSA-N 1 1 461.054 3.944 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951663 1071643102 /nfs/dbraw/zinc/64/31/02/1071643102.db2.gz ATYMSHGLTRXPFH-VXKWHMMOSA-N 1 1 458.695 3.628 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313950821 1071640032 /nfs/dbraw/zinc/64/00/32/1071640032.db2.gz XOVSPTZGVUGRPD-OAHLLOKOSA-N 1 1 496.559 3.920 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001313952582 1071646491 /nfs/dbraw/zinc/64/64/91/1071646491.db2.gz GPLDUGCHIFYMEC-HXUWFJFHSA-N 1 1 470.065 3.847 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313952999 1071647018 /nfs/dbraw/zinc/64/70/18/1071647018.db2.gz CYGOPYPOPJMKBG-FQEVSTJZSA-N 1 1 461.054 3.631 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313953365 1071648295 /nfs/dbraw/zinc/64/82/95/1071648295.db2.gz YCMASCWHJWKJGA-IBGZPJMESA-N 1 1 461.054 3.773 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2cccs2)CC1 ZINC001313954272 1071651262 /nfs/dbraw/zinc/65/12/62/1071651262.db2.gz MSQINPCKBNMJFO-HXUWFJFHSA-N 1 1 468.671 3.925 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cccs3)CC2)CC1 ZINC001313954370 1071651324 /nfs/dbraw/zinc/65/13/24/1071651324.db2.gz PGJGFYFGGRDUHD-UHFFFAOYSA-N 1 1 473.735 3.673 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313954216 1071650700 /nfs/dbraw/zinc/65/07/00/1071650700.db2.gz OUIJUAAUVZZJHZ-QHCPKHFHSA-N 1 1 453.679 3.554 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001313955780 1071656783 /nfs/dbraw/zinc/65/67/83/1071656783.db2.gz IKVMXAXOKVDOBN-LJQANCHMSA-N 1 1 485.677 3.683 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313954723 1071652497 /nfs/dbraw/zinc/65/24/97/1071652497.db2.gz PECOEJLSHWZRMC-SFTDATJTSA-N 1 1 475.081 3.877 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955006 1071653678 /nfs/dbraw/zinc/65/36/78/1071653678.db2.gz DEMAGBCUGPLEJF-NOZRDPDXSA-N 1 1 498.716 3.690 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313955161 1071654156 /nfs/dbraw/zinc/65/41/56/1071654156.db2.gz FVZVQVHKUGHKKN-BJKOFHAPSA-N 1 1 498.716 3.751 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955924 1071656625 /nfs/dbraw/zinc/65/66/25/1071656625.db2.gz WEKCRGUPQIFGNV-FPOVZHCZSA-N 1 1 494.606 3.711 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313956617 1071657963 /nfs/dbraw/zinc/65/79/63/1071657963.db2.gz ZBHYDXPASZRLNP-OAQYLSRUSA-N 1 1 477.657 3.567 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001313958027 1071662510 /nfs/dbraw/zinc/66/25/10/1071662510.db2.gz NLPGZPSUHZLBFL-UHFFFAOYSA-N 1 1 470.065 3.644 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313956697 1071658163 /nfs/dbraw/zinc/65/81/63/1071658163.db2.gz JEBMGLJGBOMOBE-UHFFFAOYSA-N 1 1 471.719 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313957247 1071659502 /nfs/dbraw/zinc/65/95/02/1071659502.db2.gz PYRZAQPIAZCPJO-FGZHOGPDSA-N 1 1 490.643 3.921 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC001313957373 1071660114 /nfs/dbraw/zinc/66/01/14/1071660114.db2.gz UIIJKXLSCJYDIV-XMMPIXPASA-N 1 1 468.690 3.862 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957648 1071661205 /nfs/dbraw/zinc/66/12/05/1071661205.db2.gz REIHMPNYTFTFHA-GOSISDBHSA-N 1 1 467.008 3.641 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313958232 1071663519 /nfs/dbraw/zinc/66/35/19/1071663519.db2.gz QTZGZHMTQFKHSK-FQEVSTJZSA-N 1 1 460.070 3.894 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001313958836 1071665180 /nfs/dbraw/zinc/66/51/80/1071665180.db2.gz YGUMXVDQCFRRPF-WIOPSUGQSA-N 1 1 498.716 3.609 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313958838 1071665222 /nfs/dbraw/zinc/66/52/22/1071665222.db2.gz YIHQRABJXGPRMC-LEWJYISDSA-N 1 1 467.687 3.796 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313959824 1071668044 /nfs/dbraw/zinc/66/80/44/1071668044.db2.gz BICOWXJVGCTRMU-UHFFFAOYSA-N 1 1 491.109 3.519 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N(C)Cc2ccsc2)CC1 ZINC001313959849 1071668110 /nfs/dbraw/zinc/66/81/10/1071668110.db2.gz BOAOLADPBMJVQB-UHFFFAOYSA-N 1 1 452.672 3.903 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313960657 1071670536 /nfs/dbraw/zinc/67/05/36/1071670536.db2.gz MZLNGBGBADWYIN-SFTDATJTSA-N 1 1 488.652 3.589 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313960665 1071670547 /nfs/dbraw/zinc/67/05/47/1071670547.db2.gz NHSAYOGLWOZLNT-UPVQGACJSA-N 1 1 488.721 3.602 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313961029 1071671627 /nfs/dbraw/zinc/67/16/27/1071671627.db2.gz PDLRVDFHCFTUJB-JOCHJYFZSA-N 1 1 484.689 3.766 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001313961938 1071673496 /nfs/dbraw/zinc/67/34/96/1071673496.db2.gz XBIVUHSFCGMPDY-UHFFFAOYSA-N 1 1 470.637 3.668 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001314008724 1071745182 /nfs/dbraw/zinc/74/51/82/1071745182.db2.gz OOERZTVNOZKTAR-LJQANCHMSA-N 1 1 490.624 3.955 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001314012571 1071748336 /nfs/dbraw/zinc/74/83/36/1071748336.db2.gz KPQJCNAKFDTJJL-YADHBBJMSA-N 1 1 490.693 3.884 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001314019802 1071769499 /nfs/dbraw/zinc/76/94/99/1071769499.db2.gz MCXIGUBBFZYVSI-IBGZPJMESA-N 1 1 476.025 3.537 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314019817 1071769525 /nfs/dbraw/zinc/76/95/25/1071769525.db2.gz GYDCFGWBKSXWAV-HXUWFJFHSA-N 1 1 454.619 3.735 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001314022700 1071776269 /nfs/dbraw/zinc/77/62/69/1071776269.db2.gz OBVFVXCFPXQLCY-HXUWFJFHSA-N 1 1 474.675 3.864 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314022446 1071776384 /nfs/dbraw/zinc/77/63/84/1071776384.db2.gz LXFRMSLJMTVFOG-PKTZIBPZSA-N 1 1 482.673 3.852 20 0 JHADMO CCOC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314024952 1071784372 /nfs/dbraw/zinc/78/43/72/1071784372.db2.gz UCALYEOMCNCDTR-NJDAHSKKSA-N 1 1 490.693 3.596 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314034604 1071818685 /nfs/dbraw/zinc/81/86/85/1071818685.db2.gz VRJATNNYSLBBAK-WOJBJXKFSA-N 1 1 471.650 3.509 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001314036055 1071825161 /nfs/dbraw/zinc/82/51/61/1071825161.db2.gz ZFWFAWIEGZRVEE-RBBKRZOGSA-N 1 1 484.645 3.789 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314037834 1071831887 /nfs/dbraw/zinc/83/18/87/1071831887.db2.gz OLPOPUSIRUPSFG-IFMALSPDSA-N 1 1 456.635 3.712 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001314037879 1071831977 /nfs/dbraw/zinc/83/19/77/1071831977.db2.gz VMXRTGOSWPCBHT-RXVVDRJESA-N 1 1 499.591 3.867 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001314038506 1071835043 /nfs/dbraw/zinc/83/50/43/1071835043.db2.gz JRIADQXRKXBBHW-QHCPKHFHSA-N 1 1 477.613 3.577 20 0 JHADMO CCOC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001314044357 1071856354 /nfs/dbraw/zinc/85/63/54/1071856354.db2.gz JQUVHUKMQWDVKF-DENIHFKCSA-N 1 1 475.609 3.673 20 0 JHADMO 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 ZINC001314062328 1071900877 /nfs/dbraw/zinc/90/08/77/1071900877.db2.gz YRFCWHQZWYUYES-RCLSDMTESA-N 1 1 489.665 3.655 20 0 JHADMO CCO[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC001314071192 1071922089 /nfs/dbraw/zinc/92/20/89/1071922089.db2.gz UMXLEQOYOGARFR-WMZHIEFXSA-N 1 1 453.587 3.781 20 0 JHADMO CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC001314075193 1071931336 /nfs/dbraw/zinc/93/13/36/1071931336.db2.gz PLVCALYTMYKITR-UARRHKHWSA-N 1 1 491.721 3.949 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccc(OC)c(C)c3)n2C[C@@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314083192 1071948171 /nfs/dbraw/zinc/94/81/71/1071948171.db2.gz IAEBWRYMPIRIKI-NVQXNPDNSA-N 1 1 471.646 3.758 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CCCn2cc[nH+]c2C)CCOC1 ZINC001314083656 1071949429 /nfs/dbraw/zinc/94/94/29/1071949429.db2.gz RYKZYAKMBMNIJZ-HSZRJFAPSA-N 1 1 458.994 3.815 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083735 1071949924 /nfs/dbraw/zinc/94/99/24/1071949924.db2.gz SNWAWCANESBKGD-NBGIEHNGSA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001314084026 1071950346 /nfs/dbraw/zinc/95/03/46/1071950346.db2.gz VEDAIUYQRVODMX-VWLOTQADSA-N 1 1 459.610 3.828 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCn2cc[nH+]c2C)CCOC1 ZINC001314084131 1071950929 /nfs/dbraw/zinc/95/09/29/1071950929.db2.gz VXQOEUOHGLJWOK-JOCHJYFZSA-N 1 1 478.519 3.791 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314091871 1071969155 /nfs/dbraw/zinc/96/91/55/1071969155.db2.gz HLQNHWNJAWWANR-WNCULLNHSA-N 1 1 484.689 3.623 20 0 JHADMO CCO[C@]1(c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314091874 1071969301 /nfs/dbraw/zinc/96/93/01/1071969301.db2.gz HLQNHWNJAWWANR-YIXXDRMTSA-N 1 1 484.689 3.623 20 0 JHADMO 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CCO[C@]1(c2nnc(N3CCCC[C@H](SCC)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314121125 1072023913 /nfs/dbraw/zinc/02/39/13/1072023913.db2.gz CQCPZIDRNISXSQ-XOEOCAAJSA-N 1 1 495.734 3.542 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC[C@](C)(OC)CC3)n2Cc2cccc(C[N@@H+](C)CC)c2)CCOC1 ZINC001314122265 1072026076 /nfs/dbraw/zinc/02/60/76/1072026076.db2.gz OHKMADYPYNIRAS-SVBPBHIXSA-N 1 1 485.673 3.826 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001314126419 1072034987 /nfs/dbraw/zinc/03/49/87/1072034987.db2.gz QTWNHJYOXLFNAC-HSZRJFAPSA-N 1 1 496.578 3.703 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001314134954 1072047387 /nfs/dbraw/zinc/04/73/87/1072047387.db2.gz JTOOLNYUUWRLIQ-QRWLVFNGSA-N 1 1 473.565 3.589 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@H](OC)C(C)C)CCOC1 ZINC001314138850 1072051628 /nfs/dbraw/zinc/05/16/28/1072051628.db2.gz TVLXJNCFHZOCHG-NHCICSSKSA-N 1 1 477.675 3.546 20 0 JHADMO 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CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@@H+](C)C(C)C ZINC001306265211 1068679441 /nfs/dbraw/zinc/67/94/41/1068679441.db2.gz UOBAHLRLVJGHPF-UGKGYDQZSA-N 1 1 476.691 3.551 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001306265081 1068679531 /nfs/dbraw/zinc/67/95/31/1068679531.db2.gz TVGHHIFUBJIBRJ-WMZHIEFXSA-N 1 1 488.702 3.695 20 0 JHADMO CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001306271404 1068683924 /nfs/dbraw/zinc/68/39/24/1068683924.db2.gz DBQNBYMHGWQXJL-WOIUINJBSA-N 1 1 459.708 3.532 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2F)n1CCC[NH+]1CCN(CC)CC1 ZINC001306275714 1068689353 /nfs/dbraw/zinc/68/93/53/1068689353.db2.gz HOEWVLAIUSQMDA-RBBKRZOGSA-N 1 1 458.626 3.649 20 0 JHADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001306277160 1068691193 /nfs/dbraw/zinc/69/11/93/1068691193.db2.gz JWLJTCLYIVCNSJ-WPFOTENUSA-N 1 1 455.647 3.946 20 0 JHADMO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001306296494 1068713712 /nfs/dbraw/zinc/71/37/12/1068713712.db2.gz RMZWOBPLQOMNFE-WMZOPIPTSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001306296494 1068713724 /nfs/dbraw/zinc/71/37/24/1068713724.db2.gz RMZWOBPLQOMNFE-WMZOPIPTSA-N 1 1 479.467 3.782 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001306309057 1068727395 /nfs/dbraw/zinc/72/73/95/1068727395.db2.gz AQWLPFCQQDHXLM-ZWKOTPCHSA-N 1 1 456.557 3.557 20 0 JHADMO CC[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306308793 1068727500 /nfs/dbraw/zinc/72/75/00/1068727500.db2.gz PTAOGXNKRJVSSD-UAFMIMERSA-N 1 1 494.731 3.659 20 0 JHADMO CC[C@@H]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001306309412 1068728128 /nfs/dbraw/zinc/72/81/28/1068728128.db2.gz RFQLAXLBCVZGLZ-QZTJIDSGSA-N 1 1 479.467 3.641 20 0 JHADMO CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001306315446 1068734509 /nfs/dbraw/zinc/73/45/09/1068734509.db2.gz POAZPIOPAIKTQN-IZBOUPIGSA-N 1 1 458.695 3.781 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001306316053 1068735591 /nfs/dbraw/zinc/73/55/91/1068735591.db2.gz CXQDETLFEPUUKH-HSZRJFAPSA-N 1 1 485.652 3.566 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001306317253 1068737255 /nfs/dbraw/zinc/73/72/55/1068737255.db2.gz IMRWQEPROIZRNJ-JAXLGGSGSA-N 1 1 486.636 3.784 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC[C@@H]2CC)CCN1CCOC ZINC001306317683 1068739198 /nfs/dbraw/zinc/73/91/98/1068739198.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 1 1 472.653 3.896 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC[C@@H]2CC)CCN1CCOC ZINC001306317683 1068739210 /nfs/dbraw/zinc/73/92/10/1068739210.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 1 1 472.653 3.896 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317957 1068739582 /nfs/dbraw/zinc/73/95/82/1068739582.db2.gz CIUQNXPOOUATSA-FQEVSTJZSA-N 1 1 456.635 3.806 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306318928 1068743456 /nfs/dbraw/zinc/74/34/56/1068743456.db2.gz PQNAPWLTWPWLHS-KSEOMHKRSA-N 1 1 486.636 3.927 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306318927 1068743581 /nfs/dbraw/zinc/74/35/81/1068743581.db2.gz PQNAPWLTWPWLHS-ILWGZMRPSA-N 1 1 486.636 3.927 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001306319341 1068744535 /nfs/dbraw/zinc/74/45/35/1068744535.db2.gz KJVAJIPXSULDQD-ROUUACIJSA-N 1 1 484.041 3.625 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC)C1 ZINC001306319546 1068745507 /nfs/dbraw/zinc/74/55/07/1068745507.db2.gz UDZODULEAXJBBR-ZWKOTPCHSA-N 1 1 465.440 3.536 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001306319367 1068745580 /nfs/dbraw/zinc/74/55/80/1068745580.db2.gz KSVMTFCCMADZCC-RTWAWAEBSA-N 1 1 469.678 3.679 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001306319790 1068747315 /nfs/dbraw/zinc/74/73/15/1068747315.db2.gz WUVBPNLEFTUNTJ-YADHBBJMSA-N 1 1 489.686 3.618 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)C ZINC001306320820 1068749719 /nfs/dbraw/zinc/74/97/19/1068749719.db2.gz XMQKFSPWOHYEAT-MRXNPFEDSA-N 1 1 497.507 3.994 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001306321756 1068752397 /nfs/dbraw/zinc/75/23/97/1068752397.db2.gz BOQOYGIBOXJWIU-FPOVZHCZSA-N 1 1 490.718 3.976 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322563 1068753622 /nfs/dbraw/zinc/75/36/22/1068753622.db2.gz GQOGIHRNFQSRNS-PKTZIBPZSA-N 1 1 497.688 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306322771 1068754314 /nfs/dbraw/zinc/75/43/14/1068754314.db2.gz HFZVOHWEVOKQQL-DEOSSOPVSA-N 1 1 475.641 3.912 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306322772 1068754329 /nfs/dbraw/zinc/75/43/29/1068754329.db2.gz HFZVOHWEVOKQQL-XMMPIXPASA-N 1 1 475.641 3.912 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001306322957 1068755165 /nfs/dbraw/zinc/75/51/65/1068755165.db2.gz NIRJHFPCVRPMOR-PZJWPPBQSA-N 1 1 475.037 3.662 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001306323474 1068756613 /nfs/dbraw/zinc/75/66/13/1068756613.db2.gz LXFVDERPCPSNMR-IFMALSPDSA-N 1 1 482.673 3.731 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 ZINC001306323543 1068757304 /nfs/dbraw/zinc/75/73/04/1068757304.db2.gz PJNLCGDPAUJJFK-MJGOQNOKSA-N 1 1 452.441 3.926 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001306324546 1068759765 /nfs/dbraw/zinc/75/97/65/1068759765.db2.gz PMKJBHBKSJGHOV-VQTJNVASSA-N 1 1 478.682 3.570 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306324698 1068759885 /nfs/dbraw/zinc/75/98/85/1068759885.db2.gz UVUYPZMOYTUCLZ-YSFYHYPLSA-N 1 1 490.693 3.786 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306324905 1068760499 /nfs/dbraw/zinc/76/04/99/1068760499.db2.gz QZDJRTLSTPTRFM-FPOVZHCZSA-N 1 1 481.563 3.910 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306325744 1068762934 /nfs/dbraw/zinc/76/29/34/1068762934.db2.gz YUCRFUZBFOOVLQ-VAMGGRTRSA-N 1 1 472.600 3.509 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001306325536 1068762979 /nfs/dbraw/zinc/76/29/79/1068762979.db2.gz UUVSQICIZZFBGB-HXUWFJFHSA-N 1 1 461.676 3.880 20 0 JHADMO 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FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863448 721033357 /nfs/dbraw/zinc/03/33/57/721033357.db2.gz SUUITKZSVIHBRQ-UHFFFAOYSA-N 1 1 455.900 3.846 20 0 JHADMO Cc1sc2nc(CN3CCCCC3)nc(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2c1C ZINC001164861121 721033500 /nfs/dbraw/zinc/03/35/00/721033500.db2.gz CCGGASZVHXEOTO-UHFFFAOYSA-N 1 1 476.654 3.798 20 0 JHADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870861 721068613 /nfs/dbraw/zinc/06/86/13/721068613.db2.gz WXIGCQPWCFECLG-FGZHOGPDSA-N 1 1 477.012 3.521 20 0 JHADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164867355 721083346 /nfs/dbraw/zinc/08/33/46/721083346.db2.gz YERKSYKSUPIQOV-DLBZAZTESA-N 1 1 463.891 3.842 20 0 JHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878217 721142668 /nfs/dbraw/zinc/14/26/68/721142668.db2.gz PRSHYMJHSZAMQQ-MZYLBHOOSA-N 1 1 458.610 3.883 20 0 JHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880664 721162465 /nfs/dbraw/zinc/16/24/65/721162465.db2.gz WURDUQDLFMYQDY-PTLVVNQVSA-N 1 1 469.948 3.799 20 0 JHADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164876422 721166489 /nfs/dbraw/zinc/16/64/89/721166489.db2.gz MGBZKVFTQBOHQF-VQTJNVASSA-N 1 1 499.644 3.902 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164881215 721183661 /nfs/dbraw/zinc/18/36/61/721183661.db2.gz ZZLJQZWIPGGOSK-FCHUYYIVSA-N 1 1 451.958 3.584 20 0 JHADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880962 721184115 /nfs/dbraw/zinc/18/41/15/721184115.db2.gz YIJIKGZJBWPSEV-ZWKOTPCHSA-N 1 1 455.921 3.936 20 0 JHADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164767681 721199633 /nfs/dbraw/zinc/19/96/33/721199633.db2.gz KJKNPGFWFZXAFX-FCHUYYIVSA-N 1 1 479.698 3.986 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164765645 721201597 /nfs/dbraw/zinc/20/15/97/721201597.db2.gz IBNBPHPHVGVBOO-PMACEKPBSA-N 1 1 471.634 3.934 20 0 JHADMO COc1ccc2nc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164765078 721211662 /nfs/dbraw/zinc/21/16/62/721211662.db2.gz HQDARZTVWNJZEA-JKSUJKDBSA-N 1 1 462.932 3.529 20 0 JHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2C)C1=O ZINC001164779026 721320824 /nfs/dbraw/zinc/32/08/24/721320824.db2.gz UDLMRDYDHIZVKC-GKVSMKOHSA-N 1 1 453.656 3.861 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C2)C1 ZINC001164777449 721333535 /nfs/dbraw/zinc/33/35/35/721333535.db2.gz NMEJMURFEVBGIL-OAQYLSRUSA-N 1 1 465.385 3.989 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776779 721343425 /nfs/dbraw/zinc/34/34/25/721343425.db2.gz CTDYIAKCVLJUHC-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776779 721343431 /nfs/dbraw/zinc/34/34/31/721343431.db2.gz CTDYIAKCVLJUHC-HXUWFJFHSA-N 1 1 456.921 3.884 20 0 JHADMO COC(=O)c1ccc2ccnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779729 721345975 /nfs/dbraw/zinc/34/59/75/721345975.db2.gz VAFLWXSOGFEKHD-AREMUKBSSA-N 1 1 464.566 3.745 20 0 JHADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164882520 721348680 /nfs/dbraw/zinc/34/86/80/721348680.db2.gz FSQVXIVGDUHODL-BDYUSTAISA-N 1 1 468.601 3.617 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777219 721349425 /nfs/dbraw/zinc/34/94/25/721349425.db2.gz FCIBUFUADBELJR-XMMPIXPASA-N 1 1 477.005 3.944 20 0 JHADMO CCOC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777219 721349427 /nfs/dbraw/zinc/34/94/27/721349427.db2.gz FCIBUFUADBELJR-XMMPIXPASA-N 1 1 477.005 3.944 20 0 JHADMO CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779249 721353494 /nfs/dbraw/zinc/35/34/94/721353494.db2.gz RSIDAZJENAGCCR-VWLOTQADSA-N 1 1 451.571 3.752 20 0 JHADMO CCCN(CCC)c1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164786043 721359616 /nfs/dbraw/zinc/35/96/16/721359616.db2.gz VBCXCDXGXXBWJZ-RUZDIDTESA-N 1 1 456.635 3.827 20 0 JHADMO CCCN(CCC)c1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164786043 721359619 /nfs/dbraw/zinc/35/96/19/721359619.db2.gz VBCXCDXGXXBWJZ-RUZDIDTESA-N 1 1 456.635 3.827 20 0 JHADMO COc1ccccc1-c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783107 721367299 /nfs/dbraw/zinc/36/72/99/721367299.db2.gz PHIVIQBIEFVFKY-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccccc1-c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783107 721367303 /nfs/dbraw/zinc/36/73/03/721367303.db2.gz PHIVIQBIEFVFKY-AREMUKBSSA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)c(OC)c1 ZINC001164781362 721369588 /nfs/dbraw/zinc/36/95/88/721369588.db2.gz IUIJFDJCHZSGCQ-MHZLTWQESA-N 1 1 493.608 3.885 20 0 JHADMO COc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)c(OC)c1 ZINC001164781362 721369591 /nfs/dbraw/zinc/36/95/91/721369591.db2.gz IUIJFDJCHZSGCQ-MHZLTWQESA-N 1 1 493.608 3.885 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(CC(=O)N(c5cnn(C)c5)C4)C3)c2c1C ZINC001164888049 721372728 /nfs/dbraw/zinc/37/27/28/721372728.db2.gz SZHKMPOITCLNCX-VWLOTQADSA-N 1 1 479.654 3.661 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164788545 721375187 /nfs/dbraw/zinc/37/51/87/721375187.db2.gz ZRAWSBWOIMNGML-FQEVSTJZSA-N 1 1 456.921 3.884 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164788545 721375189 /nfs/dbraw/zinc/37/51/89/721375189.db2.gz ZRAWSBWOIMNGML-FQEVSTJZSA-N 1 1 456.921 3.884 20 0 JHADMO Clc1nc2c(c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164789836 721401859 /nfs/dbraw/zinc/40/18/59/721401859.db2.gz UPMZRELGBJNJFG-QZTJIDSGSA-N 1 1 453.015 3.671 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)cccc54)C3)O2)CC1 ZINC001164886074 721405985 /nfs/dbraw/zinc/40/59/85/721405985.db2.gz HTOMEVZQOAXBOZ-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885088 721406581 /nfs/dbraw/zinc/40/65/81/721406581.db2.gz FLKMSTSOTUXTJM-PGRDOPGGSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890108 721407897 /nfs/dbraw/zinc/40/78/97/721407897.db2.gz SCSCVXDDHNTMEG-SVEHJYQDSA-N 1 1 484.648 3.971 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885194 721410489 /nfs/dbraw/zinc/41/04/89/721410489.db2.gz GEKWBRHZCLCWPO-HTAPYJJXSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164885200 721410534 /nfs/dbraw/zinc/41/05/34/721410534.db2.gz GEKWBRHZCLCWPO-VGSWGCGISA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)O2)CC1 ZINC001164889833 721420539 /nfs/dbraw/zinc/42/05/39/721420539.db2.gz RPEUQDQUWCKUDO-UGKGYDQZSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c(-c6ccccc6)nsc54)C3)O2)CC1 ZINC001164893830 721436220 /nfs/dbraw/zinc/43/62/20/721436220.db2.gz KUXAGWRJWRYRRC-NBGIEHNGSA-N 1 1 464.639 3.519 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164898252 721438030 /nfs/dbraw/zinc/43/80/30/721438030.db2.gz VNGSFJOFGHYMIF-HTAPYJJXSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)C3)O2)CC1 ZINC001164888843 721440545 /nfs/dbraw/zinc/44/05/45/721440545.db2.gz BBHRSOYNBRQZAH-DVECYGJZSA-N 1 1 459.997 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)C3)O2)CC1 ZINC001164894955 721441541 /nfs/dbraw/zinc/44/15/41/721441541.db2.gz NUBTZUGEUBKYBC-YADARESESA-N 1 1 459.997 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4)C3)O2)CC1 ZINC001164892781 721450060 /nfs/dbraw/zinc/45/00/60/721450060.db2.gz YELPCTQBWCVHQX-GBXCKJPGSA-N 1 1 458.006 3.688 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164889063 721450783 /nfs/dbraw/zinc/45/07/83/721450783.db2.gz NHCZHQABFWAFFO-OFVILXPXSA-N 1 1 488.032 3.696 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164885900 721451261 /nfs/dbraw/zinc/45/12/61/721451261.db2.gz FVLOARNZNVUPCK-SQJMNOBHSA-N 1 1 488.032 3.696 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164892093 721451890 /nfs/dbraw/zinc/45/18/90/721451890.db2.gz WZPONYLKFIXCSB-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO 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/nfs/dbraw/zinc/14/86/65/1070148665.db2.gz NHBKGRFGXZAWFP-UHFFFAOYSA-N 1 1 454.372 3.784 20 0 JHADMO O=C(NC[C@@H](CO)Cc1ccco1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841073 1070149879 /nfs/dbraw/zinc/14/98/79/1070149879.db2.gz YTGWYGMOUCWSSZ-KSNOWIBYSA-N 1 1 451.542 3.537 20 0 JHADMO C[N@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307729019 1070153196 /nfs/dbraw/zinc/15/31/96/1070153196.db2.gz QKTYYNSTEDENNC-UHFFFAOYSA-N 1 1 457.659 3.982 20 0 JHADMO C[N@@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001307729019 1070153200 /nfs/dbraw/zinc/15/32/00/1070153200.db2.gz QKTYYNSTEDENNC-UHFFFAOYSA-N 1 1 457.659 3.982 20 0 JHADMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732959 1070156945 /nfs/dbraw/zinc/15/69/45/1070156945.db2.gz SSQXZZKDWIULHX-OAOYMFHYSA-N 1 1 456.368 3.881 20 0 JHADMO C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(Br)cn1 ZINC001307734562 1070157635 /nfs/dbraw/zinc/15/76/35/1070157635.db2.gz QAGUNQPWPNOWQW-CQSZACIVSA-N 1 1 452.422 3.822 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314348706 1070159813 /nfs/dbraw/zinc/15/98/13/1070159813.db2.gz JLMQDMCYXJAPJH-NQIIRXRSSA-N 1 1 471.005 3.824 20 0 JHADMO CCOCc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CCCCn1cc[nH+]c1C ZINC001314349128 1070162231 /nfs/dbraw/zinc/16/22/31/1070162231.db2.gz KWAZMZCCYGDAAR-UHFFFAOYSA-N 1 1 473.021 3.941 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001312883590 1070166392 /nfs/dbraw/zinc/16/63/92/1070166392.db2.gz BLJGQFRDLGCRBX-NRSPTQNISA-N 1 1 457.537 3.713 20 0 JHADMO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC001307751490 1070166700 /nfs/dbraw/zinc/16/67/00/1070166700.db2.gz RGQALUNWBBHGIQ-IBGZPJMESA-N 1 1 452.473 3.796 20 0 JHADMO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC001307751490 1070166707 /nfs/dbraw/zinc/16/67/07/1070166707.db2.gz RGQALUNWBBHGIQ-IBGZPJMESA-N 1 1 452.473 3.796 20 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CC(C)N1CC[NH+](C2CCN(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2)CC1 ZINC001312925470 1070183558 /nfs/dbraw/zinc/18/35/58/1070183558.db2.gz HXJAIKFFHSWKQE-ILWGZMRPSA-N 1 1 464.695 3.579 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](C[C@H](O)c3cc(Br)no3)C2)C1 ZINC001307796319 1070186266 /nfs/dbraw/zinc/18/62/66/1070186266.db2.gz GFSMFONEWKZBMZ-PMPSAXMXSA-N 1 1 458.397 3.830 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314362728 1070187385 /nfs/dbraw/zinc/18/73/85/1070187385.db2.gz BIUZCGJKKKCVGV-GCJKJVERSA-N 1 1 472.037 3.888 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314363170 1070188854 /nfs/dbraw/zinc/18/88/54/1070188854.db2.gz CSLSFKJYYLRMPI-LJQANCHMSA-N 1 1 476.691 3.889 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1c1ccccc1 ZINC001307820710 1070200313 /nfs/dbraw/zinc/20/03/13/1070200313.db2.gz RBRNZDKXGJPJEG-CLJLJLNGSA-N 1 1 458.558 3.770 20 0 JHADMO CC[N@@H+](CCCNC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)C1CCCCC1 ZINC001312964717 1070202691 /nfs/dbraw/zinc/20/26/91/1070202691.db2.gz XEKHHZTZAPBKGQ-IBGZPJMESA-N 1 1 454.537 3.851 20 0 JHADMO 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 ZINC001312988721 1070210844 /nfs/dbraw/zinc/21/08/44/1070210844.db2.gz QSYTUNXRELRXGV-SQMBMXPBSA-N 1 1 474.646 3.912 20 0 JHADMO CCOCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314376063 1070215628 /nfs/dbraw/zinc/21/56/28/1070215628.db2.gz KISVPHIYWOJLEU-FGZHOGPDSA-N 1 1 474.694 3.554 20 0 JHADMO CCOCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001314376005 1070215654 /nfs/dbraw/zinc/21/56/54/1070215654.db2.gz JIBLJFPZOQTJDS-UHFFFAOYSA-N 1 1 456.635 3.890 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001307862443 1070215848 /nfs/dbraw/zinc/21/58/48/1070215848.db2.gz ZVTRVJNZORPBIQ-PWRODBHTSA-N 1 1 475.358 3.797 20 0 JHADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001307862443 1070215853 /nfs/dbraw/zinc/21/58/53/1070215853.db2.gz ZVTRVJNZORPBIQ-PWRODBHTSA-N 1 1 475.358 3.797 20 0 JHADMO Cn1cc([C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307864947 1070216584 /nfs/dbraw/zinc/21/65/84/1070216584.db2.gz JSPMDTPMCMLBAF-FUHWJXTLSA-N 1 1 454.493 3.810 20 0 JHADMO 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 ZINC001307883086 1070223165 /nfs/dbraw/zinc/22/31/65/1070223165.db2.gz QIASLBMVXRVTPN-TYCQWZJGSA-N 1 1 474.985 3.593 20 0 JHADMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)[C@H]1C ZINC001307881321 1070221516 /nfs/dbraw/zinc/22/15/16/1070221516.db2.gz JQDFSNBVTQFOMP-DXIQSLLYSA-N 1 1 455.603 3.502 20 0 JHADMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)[C@H]1C ZINC001307881321 1070221528 /nfs/dbraw/zinc/22/15/28/1070221528.db2.gz JQDFSNBVTQFOMP-DXIQSLLYSA-N 1 1 455.603 3.502 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314379635 1070222809 /nfs/dbraw/zinc/22/28/09/1070222809.db2.gz ZVHAHAHISNBOPO-AREMUKBSSA-N 1 1 473.637 3.997 20 0 JHADMO 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 ZINC001307885049 1070224971 /nfs/dbraw/zinc/22/49/71/1070224971.db2.gz FPKAXGSZZQCJFU-NMIHRBCNSA-N 1 1 459.587 3.939 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC001313039349 1070230862 /nfs/dbraw/zinc/23/08/62/1070230862.db2.gz HDVQHNAJEJPTBA-MRXNPFEDSA-N 1 1 450.402 3.861 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC001313039349 1070230874 /nfs/dbraw/zinc/23/08/74/1070230874.db2.gz HDVQHNAJEJPTBA-MRXNPFEDSA-N 1 1 450.402 3.861 20 0 JHADMO CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900110 1070231731 /nfs/dbraw/zinc/23/17/31/1070231731.db2.gz MITUMYKSTRRCDL-NFBKMPQASA-N 1 1 474.646 3.867 20 0 JHADMO CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900110 1070231741 /nfs/dbraw/zinc/23/17/41/1070231741.db2.gz MITUMYKSTRRCDL-NFBKMPQASA-N 1 1 474.646 3.867 20 0 JHADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(O)c4)o3)C2)C1 ZINC001307905234 1070233620 /nfs/dbraw/zinc/23/36/20/1070233620.db2.gz RMLUVMTWAMVONI-NLWGTHIKSA-N 1 1 458.559 3.727 20 0 JHADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054452 1070236544 /nfs/dbraw/zinc/23/65/44/1070236544.db2.gz KWHIIEAWOOLKCJ-NFBKMPQASA-N 1 1 457.663 3.719 20 0 JHADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054452 1070236552 /nfs/dbraw/zinc/23/65/52/1070236552.db2.gz KWHIIEAWOOLKCJ-NFBKMPQASA-N 1 1 457.663 3.719 20 0 JHADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054453 1070237334 /nfs/dbraw/zinc/23/73/34/1070237334.db2.gz KWHIIEAWOOLKCJ-NZQKXSOJSA-N 1 1 457.663 3.719 20 0 JHADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001313054453 1070237351 /nfs/dbraw/zinc/23/73/51/1070237351.db2.gz KWHIIEAWOOLKCJ-NZQKXSOJSA-N 1 1 457.663 3.719 20 0 JHADMO O=C(N1CCC[C@H]([C@H]2CCCC[N@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916461 1070239038 /nfs/dbraw/zinc/23/90/38/1070239038.db2.gz CKYZTASMMPVCMY-FUHWJXTLSA-N 1 1 454.468 3.955 20 0 JHADMO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916461 1070239057 /nfs/dbraw/zinc/23/90/57/1070239057.db2.gz CKYZTASMMPVCMY-FUHWJXTLSA-N 1 1 454.468 3.955 20 0 JHADMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916459 1070239346 /nfs/dbraw/zinc/23/93/46/1070239346.db2.gz CKYZTASMMPVCMY-AEFFLSMTSA-N 1 1 454.468 3.955 20 0 JHADMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(Cc3cccc(F)c3)no2)C1)C(F)(F)F ZINC001307916459 1070239357 /nfs/dbraw/zinc/23/93/57/1070239357.db2.gz CKYZTASMMPVCMY-AEFFLSMTSA-N 1 1 454.468 3.955 20 0 JHADMO 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COc1cc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344171 1070359431 /nfs/dbraw/zinc/35/94/31/1070359431.db2.gz XRUVCOGSXVJKOE-KCZVDYSFSA-N 1 1 458.002 3.603 20 0 JHADMO COc1cc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344171 1070359449 /nfs/dbraw/zinc/35/94/49/1070359449.db2.gz XRUVCOGSXVJKOE-KCZVDYSFSA-N 1 1 458.002 3.603 20 0 JHADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(I)c(Br)cc1F ZINC001308322997 1070356338 /nfs/dbraw/zinc/35/63/38/1070356338.db2.gz YVGZRDVRHCCNDL-PSLIRLAXSA-N 1 1 453.137 3.765 20 0 JHADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(I)c(Br)cc1F ZINC001308322997 1070356349 /nfs/dbraw/zinc/35/63/49/1070356349.db2.gz YVGZRDVRHCCNDL-PSLIRLAXSA-N 1 1 453.137 3.765 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001313446506 1070363645 /nfs/dbraw/zinc/36/36/45/1070363645.db2.gz AEAKFFDRUMSUKO-WNCULLNHSA-N 1 1 482.673 3.823 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001313446793 1070364415 /nfs/dbraw/zinc/36/44/15/1070364415.db2.gz FQGZURABWVCIEX-LMNJBCLMSA-N 1 1 479.572 3.661 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313448019 1070369487 /nfs/dbraw/zinc/36/94/87/1070369487.db2.gz OAIRYGFOEDYSNM-SJBKTWHCSA-N 1 1 488.702 3.552 20 0 JHADMO COc1cc(I)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC001308387238 1070366600 /nfs/dbraw/zinc/36/66/00/1070366600.db2.gz GPCUCUIYRAAMHM-UHFFFAOYSA-N 1 1 458.683 3.688 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313447460 1070366942 /nfs/dbraw/zinc/36/69/42/1070366942.db2.gz IMLYQPMQPZVQER-JVFUWBCBSA-N 1 1 489.064 3.908 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313448594 1070371927 /nfs/dbraw/zinc/37/19/27/1070371927.db2.gz RNPPVKMHIOLAEZ-HKUYNNGSSA-N 1 1 498.981 3.978 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2cc(OC(F)F)ccc2Br)C1 ZINC001308478294 1070380157 /nfs/dbraw/zinc/38/01/57/1070380157.db2.gz HOXDAWIZEQBFKD-SFHVURJKSA-N 1 1 454.359 3.956 20 0 JHADMO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308478294 1070380173 /nfs/dbraw/zinc/38/01/73/1070380173.db2.gz HOXDAWIZEQBFKD-SFHVURJKSA-N 1 1 454.359 3.956 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313450561 1070377753 /nfs/dbraw/zinc/37/77/53/1070377753.db2.gz ZDECIEVDWFFBNN-FDFHNCONSA-N 1 1 489.686 3.533 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001313451555 1070380436 /nfs/dbraw/zinc/38/04/36/1070380436.db2.gz XLRZAFGSCDSANV-QFIPXVFZSA-N 1 1 470.637 3.729 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313451014 1070378526 /nfs/dbraw/zinc/37/85/26/1070378526.db2.gz QDADKEFEXJZGLV-GOTSBHOMSA-N 1 1 459.610 3.513 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001313451342 1070379078 /nfs/dbraw/zinc/37/90/78/1070379078.db2.gz XSGGPFVUUWQUDD-UGKGYDQZSA-N 1 1 451.619 3.716 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313451084 1070379630 /nfs/dbraw/zinc/37/96/30/1070379630.db2.gz UMXBGNLNYYXHNA-PCCBWWKXSA-N 1 1 460.667 3.525 20 0 JHADMO CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314469114 1070379871 /nfs/dbraw/zinc/37/98/71/1070379871.db2.gz TVLGGSBJCYHHBE-KDURUIRLSA-N 1 1 454.619 3.787 20 0 JHADMO 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 1070380063 /nfs/dbraw/zinc/38/00/63/1070380063.db2.gz ZTODMINETNQRRG-MBDNFAEBSA-N 1 1 490.693 3.881 20 0 JHADMO CCOCCN(CC)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314474475 1070385385 /nfs/dbraw/zinc/38/53/85/1070385385.db2.gz KQDXOXLPCSVSDH-UHFFFAOYSA-N 1 1 480.451 3.681 20 0 JHADMO CCOCCN(CC)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001314474475 1070385399 /nfs/dbraw/zinc/38/53/99/1070385399.db2.gz KQDXOXLPCSVSDH-UHFFFAOYSA-N 1 1 480.451 3.681 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313453205 1070384792 /nfs/dbraw/zinc/38/47/92/1070384792.db2.gz UFZYVWDEJKCDBU-GOTSBHOMSA-N 1 1 497.688 3.879 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001313453552 1070386129 /nfs/dbraw/zinc/38/61/29/1070386129.db2.gz YRPZEPUYCOVRQA-QFIPXVFZSA-N 1 1 482.032 3.867 20 0 JHADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001308535691 1070387378 /nfs/dbraw/zinc/38/73/78/1070387378.db2.gz REFQBSGWORORRR-HUUCEWRRSA-N 1 1 451.308 3.774 20 0 JHADMO CCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001314480600 1070392720 /nfs/dbraw/zinc/39/27/20/1070392720.db2.gz VYUGJKZCGSEDPR-NRFANRHFSA-N 1 1 488.652 3.589 20 0 JHADMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308651291 1070410693 /nfs/dbraw/zinc/41/06/93/1070410693.db2.gz SJORXAQDRKSNSZ-SFHVURJKSA-N 1 1 454.409 3.727 20 0 JHADMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308651291 1070410702 /nfs/dbraw/zinc/41/07/02/1070410702.db2.gz SJORXAQDRKSNSZ-SFHVURJKSA-N 1 1 454.409 3.727 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCCCC2)CC1 ZINC001314493362 1070407604 /nfs/dbraw/zinc/40/76/04/1070407604.db2.gz IEKTWJSFFOPBIT-HSZRJFAPSA-N 1 1 485.673 3.889 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2Br)CC1 ZINC001314495328 1070412605 /nfs/dbraw/zinc/41/26/05/1070412605.db2.gz HJRPFCCDRYJYTL-UHFFFAOYSA-N 1 1 485.430 3.618 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccccn2)C[C@@H]1CC ZINC001314495518 1070413491 /nfs/dbraw/zinc/41/34/91/1070413491.db2.gz HPRAKIZMPAHFSB-QFIPXVFZSA-N 1 1 463.630 3.650 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1CC ZINC001314495584 1070414663 /nfs/dbraw/zinc/41/46/63/1070414663.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 1 1 454.663 3.757 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1CC ZINC001314495584 1070414669 /nfs/dbraw/zinc/41/46/69/1070414669.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 1 1 454.663 3.757 20 0 JHADMO CCOC(=O)Cn1cc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2cccnc2)n1 ZINC001308670389 1070414928 /nfs/dbraw/zinc/41/49/28/1070414928.db2.gz OLBWAERVBOJCLW-GOTSBHOMSA-N 1 1 452.530 3.999 20 0 JHADMO CCOCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314495779 1070415459 /nfs/dbraw/zinc/41/54/59/1070415459.db2.gz DAYHDHJBXMUIIL-QFIPXVFZSA-N 1 1 484.689 3.623 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCCCC2)CC1 ZINC001314495740 1070415488 /nfs/dbraw/zinc/41/54/88/1070415488.db2.gz BQQGRNZCTFWDRZ-UHFFFAOYSA-N 1 1 465.440 3.775 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001314496326 1070417004 /nfs/dbraw/zinc/41/70/04/1070417004.db2.gz IIQBYXYKHPQQHV-IAGOWNOFSA-N 1 1 498.491 3.743 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001314496896 1070418968 /nfs/dbraw/zinc/41/89/68/1070418968.db2.gz NIMGHVZJKRYRBV-AREMUKBSSA-N 1 1 498.697 3.943 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(OC)CC2)C[C@@H]1CC ZINC001314497709 1070421463 /nfs/dbraw/zinc/42/14/63/1070421463.db2.gz FGVSQQVWFPQOPG-NFJGTOLLSA-N 1 1 463.667 3.662 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)C[C@@H]1CC ZINC001314497856 1070422349 /nfs/dbraw/zinc/42/23/49/1070422349.db2.gz FFMYCOTWQWJTEL-FQEVSTJZSA-N 1 1 475.062 3.964 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001314498332 1070423644 /nfs/dbraw/zinc/42/36/44/1070423644.db2.gz CIQLRGXTCMSPCT-FQEVSTJZSA-N 1 1 465.564 3.992 20 0 JHADMO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2cncc(Cl)c2Cl)C(F)(F)F)CC1 ZINC001308717460 1070424384 /nfs/dbraw/zinc/42/43/84/1070424384.db2.gz FPWARENDOYRJCY-AWEZNQCLSA-N 1 1 457.324 3.962 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@H]1CC ZINC001314498742 1070424693 /nfs/dbraw/zinc/42/46/93/1070424693.db2.gz GAKQHVBGVZNKTL-RTBURBONSA-N 1 1 479.641 3.980 20 0 JHADMO CCOCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426484 /nfs/dbraw/zinc/42/64/84/1070426484.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 1 1 476.710 3.577 20 0 JHADMO CCOCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426488 /nfs/dbraw/zinc/42/64/88/1070426488.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 1 1 476.710 3.577 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001314499587 1070428033 /nfs/dbraw/zinc/42/80/33/1070428033.db2.gz PGMQIMOZEFTOFL-HSZRJFAPSA-N 1 1 481.563 3.544 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)CCOCC2)CC1 ZINC001314498066 1070423072 /nfs/dbraw/zinc/42/30/72/1070423072.db2.gz WBOVPQGHBSEWRG-UHFFFAOYSA-N 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CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313901480 1071510798 /nfs/dbraw/zinc/51/07/98/1071510798.db2.gz RIKDIDUSTHAFBB-ATZDWAIDSA-N 1 1 455.500 3.648 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001313901467 1071511187 /nfs/dbraw/zinc/51/11/87/1071511187.db2.gz RIDBBYNVGJIXDJ-HSZRJFAPSA-N 1 1 452.647 3.622 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001313903783 1071515943 /nfs/dbraw/zinc/51/59/43/1071515943.db2.gz RYFWDPNFQJWFNS-ROUUACIJSA-N 1 1 452.525 3.681 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 ZINC001313904025 1071517248 /nfs/dbraw/zinc/51/72/48/1071517248.db2.gz GLRYRXFHVIXQDP-DQVLVPHSSA-N 1 1 477.028 3.920 20 0 JHADMO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001314998635 1071518542 /nfs/dbraw/zinc/51/85/42/1071518542.db2.gz LYPMYLPNHFWPJK-JOCHJYFZSA-N 1 1 466.674 3.840 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314998881 1071519130 /nfs/dbraw/zinc/51/91/30/1071519130.db2.gz XJIUFQCCCJDRMF-VWNXMTODSA-N 1 1 466.674 3.680 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313906897 1071525690 /nfs/dbraw/zinc/52/56/90/1071525690.db2.gz SQAZGBYVXAGQFO-UEVCKROQSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313905565 1071521896 /nfs/dbraw/zinc/52/18/96/1071521896.db2.gz VMMXFGXZNMZUTJ-YFVAEKQCSA-N 1 1 492.462 3.965 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313905729 1071521930 /nfs/dbraw/zinc/52/19/30/1071521930.db2.gz QYPQVNYDMHHNLC-FQEVSTJZSA-N 1 1 462.589 3.951 20 0 JHADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)C)CC1 ZINC001313905729 1071521941 /nfs/dbraw/zinc/52/19/41/1071521941.db2.gz QYPQVNYDMHHNLC-FQEVSTJZSA-N 1 1 462.589 3.951 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)C)CC1 ZINC001313905729 1071521952 /nfs/dbraw/zinc/52/19/52/1071521952.db2.gz QYPQVNYDMHHNLC-FQEVSTJZSA-N 1 1 462.589 3.951 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001313906104 1071523642 /nfs/dbraw/zinc/52/36/42/1071523642.db2.gz SLJYCOATTPLBTN-RTBURBONSA-N 1 1 495.466 3.540 20 0 JHADMO 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 1071526388 /nfs/dbraw/zinc/52/63/88/1071526388.db2.gz YCXCUILXKFIPHR-ZRNYENFQSA-N 1 1 476.666 3.537 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313907575 1071528023 /nfs/dbraw/zinc/52/80/23/1071528023.db2.gz IIGXHTBQIYPSTO-DENIHFKCSA-N 1 1 454.663 3.935 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313908204 1071529612 /nfs/dbraw/zinc/52/96/12/1071529612.db2.gz BHPCVOYWUFNPRQ-SFHVURJKSA-N 1 1 451.619 3.652 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001313909104 1071531612 /nfs/dbraw/zinc/53/16/12/1071531612.db2.gz MZOYVRYYWWQKEC-QFIPXVFZSA-N 1 1 468.646 3.699 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001313913083 1071541885 /nfs/dbraw/zinc/54/18/85/1071541885.db2.gz KJBUAYWDDDOGMQ-UNMCSNQZSA-N 1 1 482.673 3.731 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C ZINC001313911582 1071537801 /nfs/dbraw/zinc/53/78/01/1071537801.db2.gz DKFOIJGSRBMWDM-HXUWFJFHSA-N 1 1 470.637 3.942 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313911766 1071538246 /nfs/dbraw/zinc/53/82/46/1071538246.db2.gz LULSFQYTFRYHTH-UYAOXDASSA-N 1 1 499.603 3.710 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001313912615 1071540723 /nfs/dbraw/zinc/54/07/23/1071540723.db2.gz VCRNRBDLYANMBB-VQTJNVASSA-N 1 1 471.650 3.509 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1 ZINC001313910864 1071537027 /nfs/dbraw/zinc/53/70/27/1071537027.db2.gz ZWECHGBBNWJBCP-QGZVFWFLSA-N 1 1 493.475 3.633 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914373 1071546844 /nfs/dbraw/zinc/54/68/44/1071546844.db2.gz MSMUXGLMLNDWCQ-RLWLMLJZSA-N 1 1 477.694 3.977 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[N@@H+]1CC=CCC1 ZINC001315024522 1071547397 /nfs/dbraw/zinc/54/73/97/1071547397.db2.gz DYPHXDDFVVRJON-UHFFFAOYSA-N 1 1 479.654 3.601 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 ZINC001313914861 1071548863 /nfs/dbraw/zinc/54/88/63/1071548863.db2.gz OMCOOXXBWUSYQF-VXKWHMMOSA-N 1 1 498.676 3.693 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315027672 1071554429 /nfs/dbraw/zinc/55/44/29/1071554429.db2.gz WWOPCSOITRVHBJ-XMMPIXPASA-N 1 1 496.700 3.545 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313920692 1071559150 /nfs/dbraw/zinc/55/91/50/1071559150.db2.gz LORUHLZVPIILAB-ICSRJNTNSA-N 1 1 494.656 3.904 20 0 JHADMO CCN1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313920101 1071558750 /nfs/dbraw/zinc/55/87/50/1071558750.db2.gz BFZVLPJSUBRYLR-ZRZAMGCNSA-N 1 1 496.700 3.715 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCc3cccc(F)c3)CC2)CC1 ZINC001313921953 1071563123 /nfs/dbraw/zinc/56/31/23/1071563123.db2.gz BNUVGIAXGLVTMM-UHFFFAOYSA-N 1 1 484.664 3.728 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccc4C)n3C[C@H](C)SC)CC2)CC1 ZINC001313923467 1071566835 /nfs/dbraw/zinc/56/68/35/1071566835.db2.gz MVEIGCDEVTUXLL-QFIPXVFZSA-N 1 1 498.741 3.699 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CCCc3ccccc3)CC2)CC1 ZINC001313923630 1071567486 /nfs/dbraw/zinc/56/74/86/1071567486.db2.gz RPQOHXCXDDFNFZ-UHFFFAOYSA-N 1 1 466.674 3.805 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4F)n3CCC(C)C)CC2)CC1 ZINC001313923646 1071567537 /nfs/dbraw/zinc/56/75/37/1071567537.db2.gz RWGQDDYTGYWZSN-UHFFFAOYSA-N 1 1 470.637 3.901 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)CC1 ZINC001313923751 1071568206 /nfs/dbraw/zinc/56/82/06/1071568206.db2.gz RZDKFBHCWKICIC-QHCPKHFHSA-N 1 1 488.721 3.696 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313924623 1071571045 /nfs/dbraw/zinc/57/10/45/1071571045.db2.gz HMSYFCIFDMALIW-SFHVURJKSA-N 1 1 478.563 3.679 20 0 JHADMO CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001315041532 1071573735 /nfs/dbraw/zinc/57/37/35/1071573735.db2.gz XBOTXKQLAMCUOB-JOCHJYFZSA-N 1 1 454.663 3.741 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001313925824 1071574662 /nfs/dbraw/zinc/57/46/62/1071574662.db2.gz BBBKQQFSABBHFX-LADGPHEKSA-N 1 1 452.691 3.962 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313925907 1071574791 /nfs/dbraw/zinc/57/47/91/1071574791.db2.gz VIIWEGAZHDFPRW-GOSISDBHSA-N 1 1 475.563 3.954 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313925908 1071574963 /nfs/dbraw/zinc/57/49/63/1071574963.db2.gz VIIWEGAZHDFPRW-SFHVURJKSA-N 1 1 475.563 3.954 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313927183 1071579319 /nfs/dbraw/zinc/57/93/19/1071579319.db2.gz HLEGFJKPNJWCEK-NFBKMPQASA-N 1 1 472.653 3.610 20 0 JHADMO CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928342 1071583728 /nfs/dbraw/zinc/58/37/28/1071583728.db2.gz ATMREGRGCPORSY-REWPJTCUSA-N 1 1 454.663 3.952 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC001313930484 1071589379 /nfs/dbraw/zinc/58/93/79/1071589379.db2.gz DAKMGBUZWBXCNZ-LJQANCHMSA-N 1 1 453.587 3.841 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313930295 1071589692 /nfs/dbraw/zinc/58/96/92/1071589692.db2.gz BJGBRRTZOFPHJY-INIZCTEOSA-N 1 1 490.580 3.568 20 0 JHADMO COC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001315081964 1071590936 /nfs/dbraw/zinc/59/09/36/1071590936.db2.gz PIGXFHJDWONTMR-UNMCSNQZSA-N 1 1 464.614 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313931019 1071591161 /nfs/dbraw/zinc/59/11/61/1071591161.db2.gz FFFRNQUUJFFDNU-INIZCTEOSA-N 1 1 458.408 3.512 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313931401 1071591966 /nfs/dbraw/zinc/59/19/66/1071591966.db2.gz YSLAVCGGPYZWND-LJQANCHMSA-N 1 1 459.708 3.532 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC001313933222 1071597084 /nfs/dbraw/zinc/59/70/84/1071597084.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 1 1 491.478 3.731 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC001313933222 1071597101 /nfs/dbraw/zinc/59/71/01/1071597101.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 1 1 491.478 3.731 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)COC)C[C@H]1C ZINC001313933702 1071599292 /nfs/dbraw/zinc/59/92/92/1071599292.db2.gz QATQFYMWVSWOTR-WOJBJXKFSA-N 1 1 453.587 3.930 20 0 JHADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001313934199 1071601201 /nfs/dbraw/zinc/60/12/01/1071601201.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 1 1 461.452 3.722 20 0 JHADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001313934199 1071601208 /nfs/dbraw/zinc/60/12/08/1071601208.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 1 1 461.452 3.722 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001313934324 1071602341 /nfs/dbraw/zinc/60/23/41/1071602341.db2.gz UCCGHAUZBOJYKM-WMZOPIPTSA-N 1 1 476.419 3.592 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001313935817 1071607151 /nfs/dbraw/zinc/60/71/51/1071607151.db2.gz ZHPJYNCRPGTKJR-JGVYIQDASA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001313935817 1071607153 /nfs/dbraw/zinc/60/71/53/1071607153.db2.gz ZHPJYNCRPGTKJR-JGVYIQDASA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@@H]1C ZINC001313936315 1071607832 /nfs/dbraw/zinc/60/78/32/1071607832.db2.gz DFNIYBFMYKCOKC-OALUTQOASA-N 1 1 458.607 3.564 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313936146 1071607990 /nfs/dbraw/zinc/60/79/90/1071607990.db2.gz MBJMWQMOTQKHMA-KRWDZBQOSA-N 1 1 472.435 3.604 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)C[C@@H]1C ZINC001313935982 1071608031 /nfs/dbraw/zinc/60/80/31/1071608031.db2.gz AQTHVUFKTKTDPC-FCHUYYIVSA-N 1 1 492.709 3.986 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001313937095 1071610148 /nfs/dbraw/zinc/61/01/48/1071610148.db2.gz SFVQKULRXLAFOP-IAGOWNOFSA-N 1 1 456.616 3.753 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)C[C@@H]1C ZINC001313937446 1071610164 /nfs/dbraw/zinc/61/01/64/1071610164.db2.gz ULJPUIWKPJXJSA-LHSJRXKWSA-N 1 1 466.399 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)C[C@H]1C ZINC001313937448 1071610248 /nfs/dbraw/zinc/61/02/48/1071610248.db2.gz ULJPUIWKPJXJSA-SPLOXXLWSA-N 1 1 466.399 3.538 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)C[C@@H]1C ZINC001313937380 1071610810 /nfs/dbraw/zinc/61/08/10/1071610810.db2.gz LWBHQMKKXUMBOE-LEWJYISDSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313939004 1071612875 /nfs/dbraw/zinc/61/28/75/1071612875.db2.gz ZQBSENKGRUYRBF-BHDDXSALSA-N 1 1 490.693 3.882 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313940978 1071616241 /nfs/dbraw/zinc/61/62/41/1071616241.db2.gz RDRMNPRZJKBWCU-FQEVSTJZSA-N 1 1 478.607 3.868 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941392 1071616930 /nfs/dbraw/zinc/61/69/30/1071616930.db2.gz CGRJLQZWZRYUEE-VJBWXMMDSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941392 1071616933 /nfs/dbraw/zinc/61/69/33/1071616933.db2.gz CGRJLQZWZRYUEE-VJBWXMMDSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617124 /nfs/dbraw/zinc/61/71/24/1071617124.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617127 /nfs/dbraw/zinc/61/71/27/1071617127.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 1 1 484.689 3.584 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313941657 1071618303 /nfs/dbraw/zinc/61/83/03/1071618303.db2.gz FCAKZDRIYWQROI-LJQANCHMSA-N 1 1 477.579 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942349 1071619716 /nfs/dbraw/zinc/61/97/16/1071619716.db2.gz PQZFXRAEESVDQF-FXAWDEMLSA-N 1 1 477.535 3.629 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313945686 1071626748 /nfs/dbraw/zinc/62/67/48/1071626748.db2.gz TWHHXBRJSOMZJR-FYYLOGMGSA-N 1 1 454.663 3.531 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)CC1 ZINC001313945635 1071626767 /nfs/dbraw/zinc/62/67/67/1071626767.db2.gz RZFWINMKSMFZNA-KRWDZBQOSA-N 1 1 486.970 3.583 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(F)cc2)C[C@@H]1C ZINC001313945979 1071627777 /nfs/dbraw/zinc/62/77/77/1071627777.db2.gz MUWHFNFHOLWOEV-FQEVSTJZSA-N 1 1 452.578 3.793 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313945973 1071627871 /nfs/dbraw/zinc/62/78/71/1071627871.db2.gz MSOOPMGNELCZBL-AWEZNQCLSA-N 1 1 499.944 3.992 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@H]1C ZINC001313944048 1071623965 /nfs/dbraw/zinc/62/39/65/1071623965.db2.gz ADJVXEDQNRUXBI-QGZVFWFLSA-N 1 1 474.531 3.870 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313946193 1071627975 /nfs/dbraw/zinc/62/79/75/1071627975.db2.gz PJMZUOCRAZDCPR-SFHVURJKSA-N 1 1 474.625 3.842 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)CC1 ZINC001313946976 1071630429 /nfs/dbraw/zinc/63/04/29/1071630429.db2.gz IPJOCPHEVVXDOR-NRFANRHFSA-N 1 1 473.735 3.906 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313947111 1071630985 /nfs/dbraw/zinc/63/09/85/1071630985.db2.gz FIKURXIIGWBVKZ-OAQYLSRUSA-N 1 1 451.619 3.681 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc4cccnc43)nnc2N(C)CCC(F)F)CC1 ZINC001313947982 1071633365 /nfs/dbraw/zinc/63/33/65/1071633365.db2.gz BDQIXGSDLMXTFV-IBGZPJMESA-N 1 1 471.600 3.858 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)CC1 ZINC001313948536 1071634069 /nfs/dbraw/zinc/63/40/69/1071634069.db2.gz RCHGKCWTLOIBKK-IBGZPJMESA-N 1 1 493.071 3.954 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC2(C)C)CC1 ZINC001313949083 1071635156 /nfs/dbraw/zinc/63/51/56/1071635156.db2.gz HMPZPCRLKJAATJ-HXUWFJFHSA-N 1 1 470.662 3.615 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001313950078 1071637624 /nfs/dbraw/zinc/63/76/24/1071637624.db2.gz SZSVEDOQAYVWFS-UEVCKROQSA-N 1 1 455.647 3.922 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313950445 1071638733 /nfs/dbraw/zinc/63/87/33/1071638733.db2.gz PHYLZGJCAMTKJC-PKOBYXMFSA-N 1 1 468.568 3.899 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951260 1071641203 /nfs/dbraw/zinc/64/12/03/1071641203.db2.gz SIDHQLVQPGYLBL-URXFXBBRSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951316 1071641782 /nfs/dbraw/zinc/64/17/82/1071641782.db2.gz FPXRJBTVMSGXOG-HXUWFJFHSA-N 1 1 470.637 3.816 20 0 JHADMO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001313952010 1071643586 /nfs/dbraw/zinc/64/35/86/1071643586.db2.gz CLZZZPUCYKYHOR-NRFANRHFSA-N 1 1 491.725 3.512 20 0 JHADMO CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001313951966 1071643695 /nfs/dbraw/zinc/64/36/95/1071643695.db2.gz CGJHZSPKVYVCMV-HXUWFJFHSA-N 1 1 453.660 3.702 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313952339 1071644982 /nfs/dbraw/zinc/64/49/82/1071644982.db2.gz ZCTKYJFILHNHTA-PCCBWWKXSA-N 1 1 491.080 3.570 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313952498 1071645842 /nfs/dbraw/zinc/64/58/42/1071645842.db2.gz FMJONOFKSVFCHB-LJQANCHMSA-N 1 1 458.626 3.603 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313952746 1071646453 /nfs/dbraw/zinc/64/64/53/1071646453.db2.gz BMTKVKSTIULPMQ-UHFFFAOYSA-N 1 1 490.494 3.580 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313953504 1071647595 /nfs/dbraw/zinc/64/75/95/1071647595.db2.gz HLSLHGCKVHJKLL-YADHBBJMSA-N 1 1 454.663 3.996 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313953710 1071649605 /nfs/dbraw/zinc/64/96/05/1071649605.db2.gz IKBWZRPGPUURQL-IBGZPJMESA-N 1 1 481.110 3.941 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001313954816 1071652891 /nfs/dbraw/zinc/65/28/91/1071652891.db2.gz PZKOBFWOTYMTSS-FQEVSTJZSA-N 1 1 455.676 3.564 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccsc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313954905 1071653605 /nfs/dbraw/zinc/65/36/05/1071653605.db2.gz WXUZYLPRGOTALC-WOJBJXKFSA-N 1 1 462.733 3.678 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313955337 1071655465 /nfs/dbraw/zinc/65/54/65/1071655465.db2.gz RPLSROAAEVRBDR-VQTJNVASSA-N 1 1 455.676 3.816 20 0 JHADMO CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCN1CC[NH+](CC)CC1 ZINC001313956187 1071657294 /nfs/dbraw/zinc/65/72/94/1071657294.db2.gz CJRLQDFGAXCKCK-UHFFFAOYSA-N 1 1 453.660 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313956087 1071657559 /nfs/dbraw/zinc/65/75/59/1071657559.db2.gz KGAWKBASUNHLJX-NZQKXSOJSA-N 1 1 486.730 3.689 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313956837 1071658653 /nfs/dbraw/zinc/65/86/53/1071658653.db2.gz NVWKEFYSZXELDS-NRFANRHFSA-N 1 1 486.680 3.675 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001313957011 1071658727 /nfs/dbraw/zinc/65/87/27/1071658727.db2.gz AVRUUIQHMOVHLQ-NRFANRHFSA-N 1 1 484.689 3.862 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313957265 1071660041 /nfs/dbraw/zinc/66/00/41/1071660041.db2.gz QEJKKQXDAPULGA-LJQANCHMSA-N 1 1 462.733 3.536 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313957604 1071660642 /nfs/dbraw/zinc/66/06/42/1071660642.db2.gz QTYMAPOXWGOVGA-FDFHNCONSA-N 1 1 456.654 3.764 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313957666 1071661221 /nfs/dbraw/zinc/66/12/21/1071661221.db2.gz RITCIBWEDGKVPJ-IBGZPJMESA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313958963 1071665779 /nfs/dbraw/zinc/66/57/79/1071665779.db2.gz YUYCKDOHYGNCHL-UHFFFAOYSA-N 1 1 498.473 3.767 20 0 JHADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2Cc3cccc(Br)c3C2)CC1 ZINC001313959665 1071667520 /nfs/dbraw/zinc/66/75/20/1071667520.db2.gz AMDBZVBGXJVNML-UHFFFAOYSA-N 1 1 461.452 3.712 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313960191 1071669185 /nfs/dbraw/zinc/66/91/85/1071669185.db2.gz FQEICYLWYFODFK-FGZHOGPDSA-N 1 1 456.704 3.535 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313961074 1071671735 /nfs/dbraw/zinc/67/17/35/1071671735.db2.gz QASWWXHUXPWXRX-FGZHOGPDSA-N 1 1 470.662 3.518 20 0 JHADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313961021 1071671766 /nfs/dbraw/zinc/67/17/66/1071671766.db2.gz ORQMYCZBFHVWGF-UHFFFAOYSA-N 1 1 478.607 3.870 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313961530 1071672897 /nfs/dbraw/zinc/67/28/97/1071672897.db2.gz URSOYQMNFHIXTF-UHFFFAOYSA-N 1 1 484.689 3.862 20 0 JHADMO CCn1nc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001313966778 1071687231 /nfs/dbraw/zinc/68/72/31/1071687231.db2.gz MAGFAYRZLOBPAX-SFHVURJKSA-N 1 1 487.599 3.887 20 0 JHADMO CCNC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314005434 1071741582 /nfs/dbraw/zinc/74/15/82/1071741582.db2.gz XWTCIZOSCOSJJQ-QFIPXVFZSA-N 1 1 499.729 3.851 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001314008476 1071744786 /nfs/dbraw/zinc/74/47/86/1071744786.db2.gz NIJIAXAZPNHVAP-UHFFFAOYSA-N 1 1 494.587 3.944 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314013690 1071751516 /nfs/dbraw/zinc/75/15/16/1071751516.db2.gz VZBQIYZJWNWGSG-JOCHJYFZSA-N 1 1 483.661 3.826 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(CC)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314016748 1071761177 /nfs/dbraw/zinc/76/11/77/1071761177.db2.gz QYRAZBDUYWCHLZ-HXUWFJFHSA-N 1 1 456.635 3.808 20 0 JHADMO 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COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164711762 720150011 /nfs/dbraw/zinc/15/00/11/720150011.db2.gz JVORPGIZQBOTRX-HSZRJFAPSA-N 1 1 470.621 3.930 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164819425 720158822 /nfs/dbraw/zinc/15/88/22/720158822.db2.gz WZDOIJPFZBZONA-KOSHJBKYSA-N 1 1 458.990 3.645 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CCC2 ZINC001164814043 720221811 /nfs/dbraw/zinc/22/18/11/720221811.db2.gz RQBGFPOZNPUCGI-INIZCTEOSA-N 1 1 452.628 3.623 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)c2c1C ZINC001164819024 720266791 /nfs/dbraw/zinc/26/67/91/720266791.db2.gz OYOWOHLKDZIKDG-FQEVSTJZSA-N 1 1 493.681 3.749 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)n1 ZINC001164818800 720267087 /nfs/dbraw/zinc/26/70/87/720267087.db2.gz NCXNKUVGHVDJBL-LJQANCHMSA-N 1 1 481.670 3.605 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C2)C1 ZINC001164720807 720286041 /nfs/dbraw/zinc/28/60/41/720286041.db2.gz FCBWJAZHNLOXOS-NDEPHWFRSA-N 1 1 473.621 3.578 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C2)C1 ZINC001164720807 720286054 /nfs/dbraw/zinc/28/60/54/720286054.db2.gz FCBWJAZHNLOXOS-NDEPHWFRSA-N 1 1 473.621 3.578 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C2)C1 ZINC001164721295 720288053 /nfs/dbraw/zinc/28/80/53/720288053.db2.gz JGGKYLMDAPOLHL-XMMPIXPASA-N 1 1 485.679 3.701 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C2)C1 ZINC001164721295 720288058 /nfs/dbraw/zinc/28/80/58/720288058.db2.gz JGGKYLMDAPOLHL-XMMPIXPASA-N 1 1 485.679 3.701 20 0 JHADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721809 720407013 /nfs/dbraw/zinc/40/70/13/720407013.db2.gz BGVYIZAXSIVAOH-DHIUTWEWSA-N 1 1 463.607 3.586 20 0 JHADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2c1 ZINC001164835725 720514491 /nfs/dbraw/zinc/51/44/91/720514491.db2.gz KJLCPPIWRMGNSE-LVCYWYKZSA-N 1 1 468.989 3.644 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833383 720519637 /nfs/dbraw/zinc/51/96/37/720519637.db2.gz DLFGJVQHGBRCAR-FDFHNCONSA-N 1 1 471.049 3.935 20 0 JHADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164835369 720528578 /nfs/dbraw/zinc/52/85/78/720528578.db2.gz GZCPUJFNOMPXNT-ABSDTBQOSA-N 1 1 471.005 3.875 20 0 JHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835400 720537864 /nfs/dbraw/zinc/53/78/64/720537864.db2.gz HCHVPMAULJUEAB-SOLBZPMBSA-N 1 1 467.948 3.641 20 0 JHADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835836 720543281 /nfs/dbraw/zinc/54/32/81/720543281.db2.gz IDGRSYXHUOFLCW-GVDBMIGSSA-N 1 1 479.050 3.603 20 0 JHADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834007 720547184 /nfs/dbraw/zinc/54/71/84/720547184.db2.gz CEMLXMSCCGSWBB-WOIUINJBSA-N 1 1 450.587 3.530 20 0 JHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841386 720557691 /nfs/dbraw/zinc/55/76/91/720557691.db2.gz USSOEQGQBWIAHY-NJDAHSKKSA-N 1 1 459.038 3.791 20 0 JHADMO 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 ZINC001164841439 720561427 /nfs/dbraw/zinc/56/14/27/720561427.db2.gz VWBUEVPIUPEKKU-SXWKCWPCSA-N 1 1 464.614 3.931 20 0 JHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843132 720577716 /nfs/dbraw/zinc/57/77/16/720577716.db2.gz WSPYOTJEDPNNTK-OTNCWRBYSA-N 1 1 475.641 3.590 20 0 JHADMO 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 ZINC001164836297 720578452 /nfs/dbraw/zinc/57/84/52/720578452.db2.gz FQOCLELYDUNPOV-MIZPHKNDSA-N 1 1 498.672 3.932 20 0 JHADMO COC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2ccccc2c1OC ZINC001164843139 720626185 /nfs/dbraw/zinc/62/61/85/720626185.db2.gz WSYWJXXUZVZNJK-XQBPLPMBSA-N 1 1 463.582 3.604 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837343 720637483 /nfs/dbraw/zinc/63/74/83/720637483.db2.gz IBWNSFYUWUPEBO-ZIFCJYIRSA-N 1 1 482.963 3.946 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@@H]21 ZINC001164837337 720638168 /nfs/dbraw/zinc/63/81/68/720638168.db2.gz IBWNSFYUWUPEBO-AOIWGVFYSA-N 1 1 482.963 3.946 20 0 JHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164740122 720661261 /nfs/dbraw/zinc/66/12/61/720661261.db2.gz QGEOQKVVXSSECW-CTNGQTDRSA-N 1 1 472.524 3.576 20 0 JHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc-2n1 ZINC001164844832 720688570 /nfs/dbraw/zinc/68/85/70/720688570.db2.gz VHOADBORQZGANC-LJQANCHMSA-N 1 1 464.566 3.618 20 0 JHADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736792 720699140 /nfs/dbraw/zinc/69/91/40/720699140.db2.gz BGRRXTXVVDSFAX-FCHUYYIVSA-N 1 1 485.979 3.991 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164836924 720710979 /nfs/dbraw/zinc/71/09/79/720710979.db2.gz BXGFWXMNAUSWPP-QHCPKHFHSA-N 1 1 484.666 3.516 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164838389 720713787 /nfs/dbraw/zinc/71/37/87/720713787.db2.gz IWFHMJMKSDAVIH-INIZCTEOSA-N 1 1 462.932 3.763 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839846 720714825 /nfs/dbraw/zinc/71/48/25/720714825.db2.gz NTRRJADNVAJATG-GMAHTHKFSA-N 1 1 486.682 3.808 20 0 JHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842270 720727328 /nfs/dbraw/zinc/72/73/28/720727328.db2.gz XDWXBZWPYNZVMC-MJGOQNOKSA-N 1 1 458.990 3.666 20 0 JHADMO COC(=O)c1nc(Cl)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164837645 720728065 /nfs/dbraw/zinc/72/80/65/720728065.db2.gz FNVVDHWQEHYVBK-INIZCTEOSA-N 1 1 465.381 3.830 20 0 JHADMO COC(=O)c1nc(Cl)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164837646 720728503 /nfs/dbraw/zinc/72/85/03/720728503.db2.gz FNVVDHWQEHYVBK-MRXNPFEDSA-N 1 1 465.381 3.830 20 0 JHADMO CSCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164742229 720765263 /nfs/dbraw/zinc/76/52/63/720765263.db2.gz NRMNSHUWLASROT-HOTGVXAUSA-N 1 1 468.652 3.565 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)n1 ZINC001164855581 720813552 /nfs/dbraw/zinc/81/35/52/720813552.db2.gz XJKLIFMVMWORPE-NHCUHLMSSA-N 1 1 484.629 3.910 20 0 JHADMO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164738104 720822645 /nfs/dbraw/zinc/82/26/45/720822645.db2.gz DQESYYQWCREFSS-WRWLIDTKSA-N 1 1 458.397 3.908 20 0 JHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cc2ccccc2)n1 ZINC001164738058 720824059 /nfs/dbraw/zinc/82/40/59/720824059.db2.gz DPCMFBDLMMXNJY-YPAWHYETSA-N 1 1 464.017 3.692 20 0 JHADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cc(Cl)ccc12 ZINC001164742768 720829029 /nfs/dbraw/zinc/82/90/29/720829029.db2.gz QWCWXKRIXUIUDL-ZWCUEREDSA-N 1 1 452.990 3.868 20 0 JHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751864 720832893 /nfs/dbraw/zinc/83/28/93/720832893.db2.gz ZKPMNSQUOZBKRQ-QQKQFIJSSA-N 1 1 486.599 3.590 20 0 JHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740583 720836698 /nfs/dbraw/zinc/83/66/98/720836698.db2.gz CXNKSEXBGKKXFF-ABSDTBQOSA-N 1 1 473.959 3.799 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751919 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C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164934818 721880109 /nfs/dbraw/zinc/88/01/09/721880109.db2.gz UPSGPVXEIFTMDY-HLAWJBBLSA-N 1 1 468.715 3.627 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[C@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164934818 721880110 /nfs/dbraw/zinc/88/01/10/721880110.db2.gz UPSGPVXEIFTMDY-HLAWJBBLSA-N 1 1 468.715 3.627 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)c2)CC1 ZINC001164928827 721899061 /nfs/dbraw/zinc/89/90/61/721899061.db2.gz QNIACKSQDWNVLI-MHZLTWQESA-N 1 1 457.578 3.690 20 0 JHADMO COc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2cc(Cl)ccc12 ZINC001164945872 721973946 /nfs/dbraw/zinc/97/39/46/721973946.db2.gz GWKZJNOKCKCYDL-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO COc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2cc(Cl)ccc12 ZINC001164945872 721973948 /nfs/dbraw/zinc/97/39/48/721973948.db2.gz GWKZJNOKCKCYDL-UHFFFAOYSA-N 1 1 450.970 3.868 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nc1 ZINC001164954024 722003181 /nfs/dbraw/zinc/00/31/81/722003181.db2.gz UYLOIUPRVTWKQQ-XMMPIXPASA-N 1 1 463.626 3.812 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)n1 ZINC001164955792 722010220 /nfs/dbraw/zinc/01/02/20/722010220.db2.gz ZHWFVDHXHNWLLE-MHECFPHRSA-N 1 1 474.675 3.549 20 0 JHADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055957 722014944 /nfs/dbraw/zinc/01/49/44/722014944.db2.gz OORMHVPOHVAGJS-UHFFFAOYSA-N 1 1 459.978 3.625 20 0 JHADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952227 722017799 /nfs/dbraw/zinc/01/77/99/722017799.db2.gz JWPDCQFRLZUXJY-UHFFFAOYSA-N 1 1 462.598 3.866 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164956039 722021260 /nfs/dbraw/zinc/02/12/60/722021260.db2.gz UVXZIOLGVDEBDI-UHFFFAOYSA-N 1 1 450.917 3.954 20 0 JHADMO c1ccc(N2CCN(c3cc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)ncn3)CC2)cc1 ZINC001164964560 722023600 /nfs/dbraw/zinc/02/36/00/722023600.db2.gz WUDDQCXJHVBNNP-UHFFFAOYSA-N 1 1 469.637 3.691 20 0 JHADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@@H]3O2)n1 ZINC001164957706 722041944 /nfs/dbraw/zinc/04/19/44/722041944.db2.gz BOXDWFADWBEQDK-FHWLQOOXSA-N 1 1 468.627 3.822 20 0 JHADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958702 722054161 /nfs/dbraw/zinc/05/41/61/722054161.db2.gz FHOBNMHGJJUYNS-UHFFFAOYSA-N 1 1 458.340 3.842 20 0 JHADMO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c(Cl)nc2c1 ZINC001164964905 722054627 /nfs/dbraw/zinc/05/46/27/722054627.db2.gz ZHOVKAOSNZGOMU-UHFFFAOYSA-N 1 1 453.974 3.806 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)c32)C1 ZINC001164967780 722075748 /nfs/dbraw/zinc/07/57/48/722075748.db2.gz WDZOAUVTOQGRRL-RLLQIKCJSA-N 1 1 467.683 3.711 20 0 JHADMO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967694 722077948 /nfs/dbraw/zinc/07/79/48/722077948.db2.gz JKDCMRUICPXTCH-IYBDPMFKSA-N 1 1 450.917 3.650 20 0 JHADMO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967694 722077949 /nfs/dbraw/zinc/07/79/49/722077949.db2.gz JKDCMRUICPXTCH-IYBDPMFKSA-N 1 1 450.917 3.650 20 0 JHADMO CC(C)CN(c1ncccc1CN1CCCC1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967952 722078685 /nfs/dbraw/zinc/07/86/85/722078685.db2.gz NHWMTTPVJAURNG-UHFFFAOYSA-N 1 1 476.669 3.791 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)n1 ZINC001164969040 722080936 /nfs/dbraw/zinc/08/09/36/722080936.db2.gz HLLBHALUSOVBFC-BHIFYINESA-N 1 1 495.697 3.862 20 0 JHADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CCO2 ZINC001164968872 722083768 /nfs/dbraw/zinc/08/37/68/722083768.db2.gz IPJSYLMXDQITSJ-DWXRJYCRSA-N 1 1 483.682 3.630 20 0 JHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980439 722112773 /nfs/dbraw/zinc/11/27/73/722112773.db2.gz RETKICKQCOUNAQ-LAUBAEHRSA-N 1 1 459.928 3.950 20 0 JHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981718 722139484 /nfs/dbraw/zinc/13/94/84/722139484.db2.gz QEWJPVWPBVMQCR-RDGATRHJSA-N 1 1 452.562 3.814 20 0 JHADMO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)n2)c1 ZINC001164985435 722149285 /nfs/dbraw/zinc/14/92/85/722149285.db2.gz ZLYIWKWXIJEINP-LEWJYISDSA-N 1 1 474.590 3.982 20 0 JHADMO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3)n2)c1 ZINC001164985441 722149478 /nfs/dbraw/zinc/14/94/78/722149478.db2.gz ZLYIWKWXIJEINP-SFTDATJTSA-N 1 1 474.590 3.982 20 0 JHADMO Clc1cccc(COc2cncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976244 722153943 /nfs/dbraw/zinc/15/39/43/722153943.db2.gz VSWYMMQFGGYQMI-JTHBVZDNSA-N 1 1 465.985 3.831 20 0 JHADMO CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC1)C(=O)N2 ZINC001164989442 722187946 /nfs/dbraw/zinc/18/79/46/722187946.db2.gz FEGKUDNYYRTYLO-UHFFFAOYSA-N 1 1 482.028 3.959 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccc4F)nc4ccc(F)cc42)CC3)CC1 ZINC001164997601 722231740 /nfs/dbraw/zinc/23/17/40/722231740.db2.gz QMNQRLKZHGJHHF-UHFFFAOYSA-N 1 1 487.558 3.722 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc4ccccc4nc2Cl)CC3)CC1 ZINC001164996823 722235393 /nfs/dbraw/zinc/23/53/93/722235393.db2.gz KBEQNCWQQPGRBB-UHFFFAOYSA-N 1 1 458.944 3.580 20 0 JHADMO CC(C)c1ccc([C@H](CNC(=O)Nc2cnn(C)c(=O)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001311266431 1069312113 /nfs/dbraw/zinc/31/21/13/1069312113.db2.gz QEBLCZNIKJXBND-NRFANRHFSA-N 1 1 451.596 3.886 20 0 JHADMO CC(C)c1ccc([C@H](CNC(=O)Nc2cnn(C)c(=O)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC001311266431 1069312124 /nfs/dbraw/zinc/31/21/24/1069312124.db2.gz QEBLCZNIKJXBND-NRFANRHFSA-N 1 1 451.596 3.886 20 0 JHADMO 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 1069313975 /nfs/dbraw/zinc/31/39/75/1069313975.db2.gz APXLOTHTIZFYSZ-JAXLGGSGSA-N 1 1 490.693 3.881 20 0 JHADMO Cc1cc(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)ccc1S(=O)(=O)N(C)C ZINC001311282341 1069315171 /nfs/dbraw/zinc/31/51/71/1069315171.db2.gz NJNVGPLMQGFCHA-QFIPXVFZSA-N 1 1 458.628 3.812 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC001306623971 1069316240 /nfs/dbraw/zinc/31/62/40/1069316240.db2.gz WBZXCJKVZQVLAL-FPOVZHCZSA-N 1 1 457.619 3.700 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001306624588 1069318520 /nfs/dbraw/zinc/31/85/20/1069318520.db2.gz PBYUJGDXHNGXED-OAQYLSRUSA-N 1 1 495.672 3.972 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001306626143 1069320604 /nfs/dbraw/zinc/32/06/04/1069320604.db2.gz CVIKFBHNMUWAOX-SFTDATJTSA-N 1 1 490.693 3.567 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001306626900 1069322892 /nfs/dbraw/zinc/32/28/92/1069322892.db2.gz NYRDXSRZADIOBF-HSZRJFAPSA-N 1 1 475.081 3.555 20 0 JHADMO O=C(Nc1cccc(N2C(=O)CCC2=O)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311321863 1069323662 /nfs/dbraw/zinc/32/36/62/1069323662.db2.gz XVRIKLWMZMHPRZ-RTBURBONSA-N 1 1 460.456 3.524 20 0 JHADMO O=C(Nc1cccc(N2C(=O)CCC2=O)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311321863 1069323675 /nfs/dbraw/zinc/32/36/75/1069323675.db2.gz XVRIKLWMZMHPRZ-RTBURBONSA-N 1 1 460.456 3.524 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC[N@H+]1CCOC ZINC001306628097 1069325673 /nfs/dbraw/zinc/32/56/73/1069325673.db2.gz DEBARKCXXHYXTH-TVZXLZGTSA-N 1 1 477.694 3.532 20 0 JHADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001311345075 1069331950 /nfs/dbraw/zinc/33/19/50/1069331950.db2.gz RSISKAOEUUTVII-QGZVFWFLSA-N 1 1 456.591 3.618 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1CCOC ZINC001306631734 1069332329 /nfs/dbraw/zinc/33/23/29/1069332329.db2.gz ULOZGHZKEGJULA-UNMCSNQZSA-N 1 1 477.600 3.879 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001306634410 1069339361 /nfs/dbraw/zinc/33/93/61/1069339361.db2.gz IGVJOKDWESCLPA-MYDTUXCISA-N 1 1 477.694 3.703 20 0 JHADMO Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)cn2)n1 ZINC001311356383 1069340344 /nfs/dbraw/zinc/34/03/44/1069340344.db2.gz UDXXLDOFMDOCAD-NHCUHLMSSA-N 1 1 472.515 3.746 20 0 JHADMO Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)cn2)n1 ZINC001311356383 1069340357 /nfs/dbraw/zinc/34/03/57/1069340357.db2.gz UDXXLDOFMDOCAD-NHCUHLMSSA-N 1 1 472.515 3.746 20 0 JHADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCS(=O)(=O)c4ccccc4C3)cc2)C1 ZINC001311360917 1069344469 /nfs/dbraw/zinc/34/44/69/1069344469.db2.gz QLLGXXWWFGKHHS-BGYRXZFFSA-N 1 1 455.624 3.664 20 0 JHADMO C[C@H](CNC(=O)N1CCC(O)(c2ccccc2Cl)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311377121 1069351077 /nfs/dbraw/zinc/35/10/77/1069351077.db2.gz OCOWMMIKFJYLBO-HXUWFJFHSA-N 1 1 457.018 3.544 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001306639874 1069350617 /nfs/dbraw/zinc/35/06/17/1069350617.db2.gz DHXKCOUOQYTHCZ-SFHVURJKSA-N 1 1 492.462 3.824 20 0 JHADMO CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001306640639 1069351384 /nfs/dbraw/zinc/35/13/84/1069351384.db2.gz YCJYCBXZUNSWPM-LJQANCHMSA-N 1 1 489.064 3.741 20 0 JHADMO CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001306641892 1069353127 /nfs/dbraw/zinc/35/31/27/1069353127.db2.gz SYQVEZXNAPMTMZ-OAQYLSRUSA-N 1 1 486.636 3.882 20 0 JHADMO CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001306641892 1069353143 /nfs/dbraw/zinc/35/31/43/1069353143.db2.gz SYQVEZXNAPMTMZ-OAQYLSRUSA-N 1 1 486.636 3.882 20 0 JHADMO CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001306640830 1069351449 /nfs/dbraw/zinc/35/14/49/1069351449.db2.gz BPSXGYNNBQZLFB-FQEVSTJZSA-N 1 1 488.702 3.696 20 0 JHADMO CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001306641392 1069351886 /nfs/dbraw/zinc/35/18/86/1069351886.db2.gz KGUFKDVRTWSIKU-FQEVSTJZSA-N 1 1 451.413 3.527 20 0 JHADMO C[C@H](CNC(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC001311379079 1069352259 /nfs/dbraw/zinc/35/22/59/1069352259.db2.gz VQDDEYLEJOLDBW-FGZHOGPDSA-N 1 1 452.647 3.738 20 0 JHADMO CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001306645993 1069357615 /nfs/dbraw/zinc/35/76/15/1069357615.db2.gz MMBVZMPGGFXTJZ-QHCPKHFHSA-N 1 1 454.663 3.675 20 0 JHADMO CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC001311394377 1069359516 /nfs/dbraw/zinc/35/95/16/1069359516.db2.gz BIWLXSCPRBFAOI-FTJBHMTQSA-N 1 1 450.627 3.504 20 0 JHADMO CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001306654302 1069366440 /nfs/dbraw/zinc/36/64/40/1069366440.db2.gz JQXUJKVBVNZWMS-RCZVLFRGSA-N 1 1 466.674 3.632 20 0 JHADMO CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306657696 1069371660 /nfs/dbraw/zinc/37/16/60/1069371660.db2.gz SAYQCUDJENOMFT-YADHBBJMSA-N 1 1 489.709 3.757 20 0 JHADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430749 1069376412 /nfs/dbraw/zinc/37/64/12/1069376412.db2.gz RTJGNGQFMAWVHI-KXBFYZLASA-N 1 1 451.409 3.656 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001311430747 1069376460 /nfs/dbraw/zinc/37/64/60/1069376460.db2.gz RTJGNGQFMAWVHI-DNVCBOLYSA-N 1 1 451.409 3.656 20 0 JHADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)C1 ZINC001311430206 1069376528 /nfs/dbraw/zinc/37/65/28/1069376528.db2.gz ITGSJTOUGRJYLC-NNWRFLSQSA-N 1 1 466.667 3.602 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001306660873 1069380326 /nfs/dbraw/zinc/38/03/26/1069380326.db2.gz AAGBZTOTPPDFLG-OAQYLSRUSA-N 1 1 456.635 3.806 20 0 JHADMO O=C(NC[C@@H](O)Cc1cccc(F)c1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001311436134 1069378808 /nfs/dbraw/zinc/37/88/08/1069378808.db2.gz LNFKLLYSQOPNHY-XZOQPEGZSA-N 1 1 453.583 3.889 20 0 JHADMO O=C(NC[C@@H](O)Cc1cccc(F)c1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001311436134 1069378817 /nfs/dbraw/zinc/37/88/17/1069378817.db2.gz LNFKLLYSQOPNHY-XZOQPEGZSA-N 1 1 453.583 3.889 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC001311463600 1069390863 /nfs/dbraw/zinc/39/08/63/1069390863.db2.gz JXHIMXWVASYTLO-FGZHOGPDSA-N 1 1 453.587 3.565 20 0 JHADMO Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC001311463600 1069390874 /nfs/dbraw/zinc/39/08/74/1069390874.db2.gz JXHIMXWVASYTLO-FGZHOGPDSA-N 1 1 453.587 3.565 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001306666053 1069393170 /nfs/dbraw/zinc/39/31/70/1069393170.db2.gz VFMPTGHOENXUQZ-FYYLOGMGSA-N 1 1 474.694 3.725 20 0 JHADMO CCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306667282 1069395595 /nfs/dbraw/zinc/39/55/95/1069395595.db2.gz WJPFWKFQDHGYQB-QGZVFWFLSA-N 1 1 467.456 3.783 20 0 JHADMO C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482737 1069398551 /nfs/dbraw/zinc/39/85/51/1069398551.db2.gz OAUQKZSTXMDKQQ-FQEVSTJZSA-N 1 1 451.615 3.715 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001306678449 1069403129 /nfs/dbraw/zinc/40/31/29/1069403129.db2.gz BTUAJPBUCXVRKT-IBGZPJMESA-N 1 1 495.594 3.782 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)OC)CC1 ZINC001306679273 1069404317 /nfs/dbraw/zinc/40/43/17/1069404317.db2.gz PVWOIJKXVUYOTL-LJQANCHMSA-N 1 1 457.619 3.700 20 0 JHADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001311494549 1069405013 /nfs/dbraw/zinc/40/50/13/1069405013.db2.gz FZIQBAHTHGCWMP-OYRHEFFESA-N 1 1 453.703 3.883 20 0 JHADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(OCCO)CCC(F)(F)CC3)cc2)C1 ZINC001311494520 1069405036 /nfs/dbraw/zinc/40/50/36/1069405036.db2.gz DZRRWXJZHJKTJQ-IBGZPJMESA-N 1 1 453.574 3.675 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 ZINC001306679324 1069405037 /nfs/dbraw/zinc/40/50/37/1069405037.db2.gz RDBHZNQEJZQBGJ-DEOSSOPVSA-N 1 1 469.678 3.977 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 ZINC001306679493 1069405117 /nfs/dbraw/zinc/40/51/17/1069405117.db2.gz KHYBVOYSOUSQMI-AREMUKBSSA-N 1 1 473.637 3.762 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001306679860 1069405907 /nfs/dbraw/zinc/40/59/07/1069405907.db2.gz UNQZTVSLDDOBPJ-VWLOTQADSA-N 1 1 452.603 3.789 20 0 JHADMO CCc1cc(N2CCC[C@H](NC(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)C2)ncn1 ZINC001311496601 1069406310 /nfs/dbraw/zinc/40/63/10/1069406310.db2.gz XAEURSCATKKVEK-RDPSFJRHSA-N 1 1 450.631 3.882 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001306680108 1069406453 /nfs/dbraw/zinc/40/64/53/1069406453.db2.gz PEIONTMSYQEWQK-YTFSRNRJSA-N 1 1 477.694 3.560 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001306680102 1069406568 /nfs/dbraw/zinc/40/65/68/1069406568.db2.gz OZEODKYDRSLREF-NRFANRHFSA-N 1 1 461.614 3.960 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001306680107 1069406611 /nfs/dbraw/zinc/40/66/11/1069406611.db2.gz PEIONTMSYQEWQK-DNVJHFABSA-N 1 1 477.694 3.560 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CC[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001311501909 1069410990 /nfs/dbraw/zinc/41/09/90/1069410990.db2.gz KMWYJEHNWUTFEV-GGAORHGYSA-N 1 1 455.002 3.863 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(COC)CC1 ZINC001306681553 1069411275 /nfs/dbraw/zinc/41/12/75/1069411275.db2.gz NPCNUCRSDSRCKA-UHFFFAOYSA-N 1 1 467.456 3.641 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001306681700 1069411387 /nfs/dbraw/zinc/41/13/87/1069411387.db2.gz RUUVXAUPGXDAJK-JOCHJYFZSA-N 1 1 451.619 3.928 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001311502380 1069411686 /nfs/dbraw/zinc/41/16/86/1069411686.db2.gz UPMNAHBYPXKACJ-UHFFFAOYSA-N 1 1 452.986 3.727 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001306680972 1069408940 /nfs/dbraw/zinc/40/89/40/1069408940.db2.gz WRGDZXKVXALABG-NIYFSFCBSA-N 1 1 491.627 3.635 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001306681214 1069409105 /nfs/dbraw/zinc/40/91/05/1069409105.db2.gz TYZVQMDEQGFQJX-QFIPXVFZSA-N 1 1 471.694 3.925 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001306680970 1069409300 /nfs/dbraw/zinc/40/93/00/1069409300.db2.gz WRGDZXKVXALABG-BCHFMIIMSA-N 1 1 491.627 3.635 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001306681075 1069409744 /nfs/dbraw/zinc/40/97/44/1069409744.db2.gz IDTIWPPMKQQYMR-APWZRJJASA-N 1 1 465.440 3.773 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001306683550 1069417202 /nfs/dbraw/zinc/41/72/02/1069417202.db2.gz WKOLTIOFAZNAND-UGKGYDQZSA-N 1 1 457.619 3.700 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001306682379 1069413266 /nfs/dbraw/zinc/41/32/66/1069413266.db2.gz FKKBQWKABLAARX-IBGZPJMESA-N 1 1 459.982 3.600 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001306682975 1069415191 /nfs/dbraw/zinc/41/51/91/1069415191.db2.gz RUQXCZPZCXWXMG-OAHLLOKOSA-N 1 1 497.869 3.760 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001306684666 1069419402 /nfs/dbraw/zinc/41/94/02/1069419402.db2.gz PGVFCKHVGGDXJQ-KRWDZBQOSA-N 1 1 454.575 3.641 20 0 JHADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001311518040 1069419435 /nfs/dbraw/zinc/41/94/35/1069419435.db2.gz GFYRGFSXEWTPQZ-ZWKOTPCHSA-N 1 1 454.537 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC ZINC001306685579 1069421437 /nfs/dbraw/zinc/42/14/37/1069421437.db2.gz GYSHOOFJAGCCJU-UXHICEINSA-N 1 1 464.655 3.697 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 ZINC001306685935 1069421897 /nfs/dbraw/zinc/42/18/97/1069421897.db2.gz NMQJLDYMJCOIMK-SFTDATJTSA-N 1 1 478.682 3.740 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001306687400 1069424044 /nfs/dbraw/zinc/42/40/44/1069424044.db2.gz GVDYKBXQQNVHTN-AVJFOWIRSA-N 1 1 477.694 3.703 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306687796 1069424502 /nfs/dbraw/zinc/42/45/02/1069424502.db2.gz KJKGJAUPGGABSE-YLJYHZDGSA-N 1 1 491.706 3.715 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001306687826 1069424622 /nfs/dbraw/zinc/42/46/22/1069424622.db2.gz LDAIDLYFUHISCU-UHFFFAOYSA-N 1 1 484.595 3.762 20 0 JHADMO CC(C)[C@H](CNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[NH+]1CCOCC1 ZINC001311529665 1069424671 /nfs/dbraw/zinc/42/46/71/1069424671.db2.gz AZEPGNNCLYLBGT-NRFANRHFSA-N 1 1 457.446 3.614 20 0 JHADMO CCCC[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306689023 1069425843 /nfs/dbraw/zinc/42/58/43/1069425843.db2.gz TXCFAEDGCFOTTM-UHFFFAOYSA-N 1 1 487.714 3.733 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306688947 1069426042 /nfs/dbraw/zinc/42/60/42/1069426042.db2.gz SCNOTVWVBFPCJP-QGZVFWFLSA-N 1 1 488.549 3.952 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001306689455 1069426581 /nfs/dbraw/zinc/42/65/81/1069426581.db2.gz VYLVWXRXUULUMK-OBTVHEKISA-N 1 1 485.673 3.979 20 0 JHADMO CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001306691834 1069429021 /nfs/dbraw/zinc/42/90/21/1069429021.db2.gz MSEJWLBGKJDXJQ-HSZRJFAPSA-N 1 1 451.619 3.596 20 0 JHADMO CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001306701567 1069436916 /nfs/dbraw/zinc/43/69/16/1069436916.db2.gz SIVQEBMUJUTLIG-GHTZIAJQSA-N 1 1 475.037 3.614 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574368 1069445251 /nfs/dbraw/zinc/44/52/51/1069445251.db2.gz RVGPBBNUDYUJMP-NOZRDPDXSA-N 1 1 450.627 3.996 20 0 JHADMO COc1ccccc1[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC001311574368 1069445257 /nfs/dbraw/zinc/44/52/57/1069445257.db2.gz RVGPBBNUDYUJMP-NOZRDPDXSA-N 1 1 450.627 3.996 20 0 JHADMO Cc1c(Br)cccc1CNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001311573518 1069444535 /nfs/dbraw/zinc/44/45/35/1069444535.db2.gz WCXQVEWXOZZJAV-GOSISDBHSA-N 1 1 451.434 3.607 20 0 JHADMO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Cl ZINC001311583462 1069449862 /nfs/dbraw/zinc/44/98/62/1069449862.db2.gz SSCVRPLUPOZCQD-BFUOFWGJSA-N 1 1 453.345 3.840 20 0 JHADMO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C)n1 ZINC001306719298 1069453007 /nfs/dbraw/zinc/45/30/07/1069453007.db2.gz LWCHUEQMVWLMKP-UHFFFAOYSA-N 1 1 452.651 3.948 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721577 1069458395 /nfs/dbraw/zinc/45/83/95/1069458395.db2.gz BVPAGKQQKIKIKM-NRFANRHFSA-N 1 1 459.660 3.849 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1 ZINC001306721630 1069458476 /nfs/dbraw/zinc/45/84/76/1069458476.db2.gz CRZHLOVVFUGQHK-LJQANCHMSA-N 1 1 455.607 3.890 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001306721962 1069458899 /nfs/dbraw/zinc/45/88/99/1069458899.db2.gz DFEBUXKNLXITAA-RLWLMLJZSA-N 1 1 452.647 3.871 20 0 JHADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605350 1069459014 /nfs/dbraw/zinc/45/90/14/1069459014.db2.gz PLXIZCJEWDFIPX-HSZRJFAPSA-N 1 1 452.647 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722727 1069461074 /nfs/dbraw/zinc/46/10/74/1069461074.db2.gz NDPSLMZCGVFSSS-SMIHKQSGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722727 1069461079 /nfs/dbraw/zinc/46/10/79/1069461079.db2.gz NDPSLMZCGVFSSS-SMIHKQSGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722727 1069461087 /nfs/dbraw/zinc/46/10/87/1069461087.db2.gz NDPSLMZCGVFSSS-SMIHKQSGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)CC(N)=O ZINC001306723204 1069462857 /nfs/dbraw/zinc/46/28/57/1069462857.db2.gz OVRCJFMRTCVPLO-TZIWHRDSSA-N 1 1 463.630 3.848 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306723662 1069463996 /nfs/dbraw/zinc/46/39/96/1069463996.db2.gz UHBPNTCNDGKZEE-SFTDATJTSA-N 1 1 482.677 3.521 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306723590 1069464174 /nfs/dbraw/zinc/46/41/74/1069464174.db2.gz SGPZUNAXGMSYAE-HXUWFJFHSA-N 1 1 451.681 3.604 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C ZINC001306723756 1069464198 /nfs/dbraw/zinc/46/41/98/1069464198.db2.gz UZMSQDLJAOGGOK-AEFFLSMTSA-N 1 1 465.440 3.915 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001306724547 1069465153 /nfs/dbraw/zinc/46/51/53/1069465153.db2.gz YUPOFDXCAZUSFU-CTNGQTDRSA-N 1 1 458.655 3.631 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001306725438 1069466441 /nfs/dbraw/zinc/46/64/41/1069466441.db2.gz DHVXMMZBARHAEY-FCHUYYIVSA-N 1 1 469.630 3.531 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724689 1069465725 /nfs/dbraw/zinc/46/57/25/1069465725.db2.gz ZCARKZYVXGQUPT-PKOBYXMFSA-N 1 1 483.082 3.517 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001306724576 1069465911 /nfs/dbraw/zinc/46/59/11/1069465911.db2.gz ZRNUZJSNQUUNJQ-UXHICEINSA-N 1 1 460.026 3.569 20 0 JHADMO CCc1ccc2c(c1)[C@H](NC(=O)NCCCCN1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001311629622 1069478332 /nfs/dbraw/zinc/47/83/32/1069478332.db2.gz GTNKSRUGVLYHJF-RUZDIDTESA-N 1 1 450.627 3.970 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001306731114 1069484963 /nfs/dbraw/zinc/48/49/63/1069484963.db2.gz PIDHWGDQBZXAPV-WOJBJXKFSA-N 1 1 474.675 3.539 20 0 JHADMO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001311658822 1069491817 /nfs/dbraw/zinc/49/18/17/1069491817.db2.gz XRBGZKKUJROBOX-LAUBAEHRSA-N 1 1 456.953 3.860 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001306733385 1069492779 /nfs/dbraw/zinc/49/27/79/1069492779.db2.gz WEOZDFCUKRONBK-RDPSFJRHSA-N 1 1 452.647 3.556 20 0 JHADMO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)[C@H]1c1ccc(F)cc1 ZINC001311664904 1069493923 /nfs/dbraw/zinc/49/39/23/1069493923.db2.gz NLBXPBJHWQGJJB-XZOQPEGZSA-N 1 1 450.514 3.593 20 0 JHADMO CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1)CC1CC1 ZINC001311665016 1069493989 /nfs/dbraw/zinc/49/39/89/1069493989.db2.gz KGTYNTRDRMFRBC-DEOSSOPVSA-N 1 1 456.631 3.848 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC001311664985 1069494009 /nfs/dbraw/zinc/49/40/09/1069494009.db2.gz OUQQHWDMGGDVQB-HYBUGGRVSA-N 1 1 457.578 3.901 20 0 JHADMO CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC001311667311 1069495650 /nfs/dbraw/zinc/49/56/50/1069495650.db2.gz SAGRVACQBIMPLP-NVQXNPDNSA-N 1 1 450.627 3.713 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306733932 1069494993 /nfs/dbraw/zinc/49/49/93/1069494993.db2.gz OILXDDBKOBEVQB-GGAORHGYSA-N 1 1 481.689 3.983 20 0 JHADMO 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 1069498023 /nfs/dbraw/zinc/49/80/23/1069498023.db2.gz GEGROBPPKJRSEG-ZSYWTGECSA-N 1 1 451.453 3.941 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC001311688773 1069504012 /nfs/dbraw/zinc/50/40/12/1069504012.db2.gz DFIGQAPMFDCLMU-MRXNPFEDSA-N 1 1 450.052 3.845 20 0 JHADMO 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 1069506789 /nfs/dbraw/zinc/50/67/89/1069506789.db2.gz FDQHDLSUTBYGET-STZQEDGTSA-N 1 1 462.610 3.950 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306737977 1069508064 /nfs/dbraw/zinc/50/80/64/1069508064.db2.gz XUEZIPSAKVXWFY-LEWJYISDSA-N 1 1 469.678 3.916 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306740797 1069514735 /nfs/dbraw/zinc/51/47/35/1069514735.db2.gz VNAYIGNERBLVMJ-BHIFYINESA-N 1 1 469.678 3.537 20 0 JHADMO C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311710878 1069513631 /nfs/dbraw/zinc/51/36/31/1069513631.db2.gz OYYLRUMITKHRTJ-FQEVSTJZSA-N 1 1 456.034 3.902 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306743055 1069521038 /nfs/dbraw/zinc/52/10/38/1069521038.db2.gz XDUDFXZPCLDXFJ-NRFANRHFSA-N 1 1 482.673 3.818 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723209 1069521708 /nfs/dbraw/zinc/52/17/08/1069521708.db2.gz LAHFOHKIOZNBFC-MUUNZHRXSA-N 1 1 456.634 3.956 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001311723209 1069521711 /nfs/dbraw/zinc/52/17/11/1069521711.db2.gz LAHFOHKIOZNBFC-MUUNZHRXSA-N 1 1 456.634 3.956 20 0 JHADMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001311747746 1069531701 /nfs/dbraw/zinc/53/17/01/1069531701.db2.gz LTPPGFVFCXLQQK-DRLORSAXSA-N 1 1 456.631 3.987 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3CCC[C@H]3CC)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001306749031 1069540586 /nfs/dbraw/zinc/54/05/86/1069540586.db2.gz ONJPOIUCRRLESI-NLFFAJNJSA-N 1 1 457.619 3.578 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001306749784 1069543247 /nfs/dbraw/zinc/54/32/47/1069543247.db2.gz YGIWCJQHORNYTC-QHAWAJNXSA-N 1 1 471.646 3.946 20 0 JHADMO C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@H+]1CCc2ccccc2C1 ZINC001311791445 1069547024 /nfs/dbraw/zinc/54/70/24/1069547024.db2.gz JYWVVHIFVNSLLI-PXNSSMCTSA-N 1 1 457.416 3.774 20 0 JHADMO CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001306750330 1069544639 /nfs/dbraw/zinc/54/46/39/1069544639.db2.gz CFLDJOFQJTYOIL-QFIPXVFZSA-N 1 1 489.064 3.548 20 0 JHADMO CCc1nc(CN2CCC(CNC(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)CC2)cs1 ZINC001311789810 1069545867 /nfs/dbraw/zinc/54/58/67/1069545867.db2.gz BCNQKYSRVMQBAT-IBGZPJMESA-N 1 1 455.672 3.664 20 0 JHADMO CCCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001306757267 1069555604 /nfs/dbraw/zinc/55/56/04/1069555604.db2.gz WUWSFAQBTRNMOP-SSGKUCQKSA-N 1 1 477.694 3.560 20 0 JHADMO C[C@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311820554 1069559932 /nfs/dbraw/zinc/55/99/32/1069559932.db2.gz SMAFPFGKTSJYAY-NRFANRHFSA-N 1 1 459.654 3.984 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(NC(C)=O)cc2)C1 ZINC001306781189 1069578761 /nfs/dbraw/zinc/57/87/61/1069578761.db2.gz HSASWSZLVYCAHO-UPVQGACJSA-N 1 1 468.646 3.889 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001306780601 1069577770 /nfs/dbraw/zinc/57/77/70/1069577770.db2.gz DEJPHUHUJVAEPT-IFMALSPDSA-N 1 1 454.619 3.717 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001306780403 1069577816 /nfs/dbraw/zinc/57/78/16/1069577816.db2.gz NGXUYKOCAQJPOD-GPMSIDNRSA-N 1 1 465.440 3.629 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001306780762 1069578354 /nfs/dbraw/zinc/57/83/54/1069578354.db2.gz PETWMIGDHAPTFZ-WSTZPKSXSA-N 1 1 493.494 3.765 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001306783760 1069583719 /nfs/dbraw/zinc/58/37/19/1069583719.db2.gz OOIAQXFHXKCIQO-SVFBPWRDSA-N 1 1 460.667 3.969 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2snnc2C)C1 ZINC001306783236 1069582316 /nfs/dbraw/zinc/58/23/16/1069582316.db2.gz ZJUZTUKLCUZLCQ-QZTJIDSGSA-N 1 1 473.622 3.934 20 0 JHADMO 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20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001314202324 1069800817 /nfs/dbraw/zinc/80/08/17/1069800817.db2.gz PHEFGMVELNSRKM-PWRODBHTSA-N 1 1 457.619 3.774 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCC[C@@H](SCC)C2)C1 ZINC001307050558 1069801120 /nfs/dbraw/zinc/80/11/20/1069801120.db2.gz ZIOHZQJCOHIAQT-MBDNFAEBSA-N 1 1 465.708 3.846 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC(F)(F)c3ccc(F)cc3F)C2)cc(OC)c1 ZINC001312239396 1069801091 /nfs/dbraw/zinc/80/10/91/1069801091.db2.gz WMMXYHCXNJLPLQ-INIZCTEOSA-N 1 1 455.452 3.648 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC(F)(F)c3ccc(F)cc3F)C2)cc(OC)c1 ZINC001312239396 1069801115 /nfs/dbraw/zinc/80/11/15/1069801115.db2.gz WMMXYHCXNJLPLQ-INIZCTEOSA-N 1 1 455.452 3.648 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC2=CCCOC2)cc1 ZINC001314202934 1069805278 /nfs/dbraw/zinc/80/52/78/1069805278.db2.gz ZZCXTTBYHOZWKY-VQTJNVASSA-N 1 1 455.603 3.694 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCCO2)cc1 ZINC001314203443 1069807335 /nfs/dbraw/zinc/80/73/35/1069807335.db2.gz SYTCAERGDHYITG-NFBKMPQASA-N 1 1 457.619 3.916 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001307052927 1069809745 /nfs/dbraw/zinc/80/97/45/1069809745.db2.gz ADODPRDORNCMQV-ZWKOTPCHSA-N 1 1 489.462 3.639 20 0 JHADMO COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001312253748 1069811442 /nfs/dbraw/zinc/81/14/42/1069811442.db2.gz LYJLKGKPCNCHBB-CEMLEFRQSA-N 1 1 450.583 3.718 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053703 1069813688 /nfs/dbraw/zinc/81/36/88/1069813688.db2.gz JNFGRVUGJRLBJV-CVDCTZTESA-N 1 1 486.636 3.927 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053702 1069813719 /nfs/dbraw/zinc/81/37/19/1069813719.db2.gz JNFGRVUGJRLBJV-AUSIDOKSSA-N 1 1 486.636 3.927 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001307053284 1069812250 /nfs/dbraw/zinc/81/22/50/1069812250.db2.gz CNGQXHOQTDFALH-HSZRJFAPSA-N 1 1 498.672 3.722 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001312266196 1069823781 /nfs/dbraw/zinc/82/37/81/1069823781.db2.gz PZDSVUBDJHPJIA-HXUWFJFHSA-N 1 1 451.453 3.833 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001307055207 1069820619 /nfs/dbraw/zinc/82/06/19/1069820619.db2.gz NLFJJVQYYMVFMJ-FXAWDEMLSA-N 1 1 489.462 3.639 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 ZINC001307056006 1069824544 /nfs/dbraw/zinc/82/45/44/1069824544.db2.gz SGOJXZPLCGERAJ-NQIIRXRSSA-N 1 1 459.038 3.972 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001307056443 1069827868 /nfs/dbraw/zinc/82/78/68/1069827868.db2.gz SWIOSIIBDSYTTP-ZBLYBZFDSA-N 1 1 498.672 3.579 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C)C1 ZINC001307056677 1069828159 /nfs/dbraw/zinc/82/81/59/1069828159.db2.gz WDRHNBVTDOSYHK-DOTOQJQBSA-N 1 1 451.413 3.525 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307057347 1069833277 /nfs/dbraw/zinc/83/32/77/1069833277.db2.gz IYGKPUIITTZPGH-YPAWHYETSA-N 1 1 490.693 3.788 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057181 1069831986 /nfs/dbraw/zinc/83/19/86/1069831986.db2.gz HUEQTPUCOYAOGG-NJDAHSKKSA-N 1 1 476.666 3.888 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001307057921 1069836725 /nfs/dbraw/zinc/83/67/25/1069836725.db2.gz GSJCKEDPOYRAAB-NHOCJEJCSA-N 1 1 480.682 3.902 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001307057882 1069836786 /nfs/dbraw/zinc/83/67/86/1069836786.db2.gz GKLKBWLKMJSISQ-YLJYHZDGSA-N 1 1 499.651 3.971 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058990 1069841290 /nfs/dbraw/zinc/84/12/90/1069841290.db2.gz RRHBKFXPJASJCZ-MOPGFXCFSA-N 1 1 471.568 3.784 20 0 JHADMO CCOc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001314213805 1069841861 /nfs/dbraw/zinc/84/18/61/1069841861.db2.gz USNMSLLBGKDNII-OAQYLSRUSA-N 1 1 455.651 3.642 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001307059541 1069845400 /nfs/dbraw/zinc/84/54/00/1069845400.db2.gz UKXPJHIQSCGZAP-XZOQPEGZSA-N 1 1 468.646 3.535 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001307059846 1069846850 /nfs/dbraw/zinc/84/68/50/1069846850.db2.gz WKWOLUOMHGSJSH-PKTZIBPZSA-N 1 1 482.673 3.830 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001307059728 1069847039 /nfs/dbraw/zinc/84/70/39/1069847039.db2.gz ZKCHFHLPGSZNQR-VXKWHMMOSA-N 1 1 457.667 3.542 20 0 JHADMO 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 1069851442 /nfs/dbraw/zinc/85/14/42/1069851442.db2.gz XJODLWBSKZGHCI-RCCFBDPRSA-N 1 1 456.509 3.515 20 0 JHADMO 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 1069851529 /nfs/dbraw/zinc/85/15/29/1069851529.db2.gz XJODLWBSKZGHCI-KSZLIROESA-N 1 1 456.509 3.515 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859139 /nfs/dbraw/zinc/85/91/39/1069859139.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 1 1 472.653 3.894 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862897 /nfs/dbraw/zinc/86/28/97/1069862897.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 1 1 484.689 3.764 20 0 JHADMO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001312322042 1069862969 /nfs/dbraw/zinc/86/29/69/1069862969.db2.gz VHXSXGHPIUOBOH-NLFFAJNJSA-N 1 1 454.590 3.650 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[C@@H](COC)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314221440 1069872086 /nfs/dbraw/zinc/87/20/86/1069872086.db2.gz YOCVDRVSFDLQCT-NFBKMPQASA-N 1 1 471.646 3.849 20 0 JHADMO CCOc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2CCn2cc[nH+]c2C)CC1 ZINC001314221179 1069870364 /nfs/dbraw/zinc/87/03/64/1069870364.db2.gz TYQPZHDAOGPWRR-UHFFFAOYSA-N 1 1 451.619 3.797 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C ZINC001307069209 1069879774 /nfs/dbraw/zinc/87/97/74/1069879774.db2.gz QVBNHWAEPZEEMB-UWHLTILDSA-N 1 1 476.666 3.538 20 0 JHADMO 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 1069884533 /nfs/dbraw/zinc/88/45/33/1069884533.db2.gz ROGXUDVPXTZJIC-WQDFSMHNSA-N 1 1 454.659 3.869 20 0 JHADMO 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 1069884928 /nfs/dbraw/zinc/88/49/28/1069884928.db2.gz XGRKEUMMLUTIDO-KXHCOYLBSA-N 1 1 455.624 3.751 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC(C)(C)COC ZINC001314225612 1069891386 /nfs/dbraw/zinc/89/13/86/1069891386.db2.gz MZSXKWKVVAMHQR-HXUWFJFHSA-N 1 1 457.619 3.603 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCCC[C@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001314225038 1069888790 /nfs/dbraw/zinc/88/87/90/1069888790.db2.gz WSKJKPSBWURFBT-FCHUYYIVSA-N 1 1 471.646 3.851 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCS[C@H](CC)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314225508 1069890867 /nfs/dbraw/zinc/89/08/67/1069890867.db2.gz HKEMLVNKXGWBFG-HXUWFJFHSA-N 1 1 489.686 3.698 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001314226710 1069896353 /nfs/dbraw/zinc/89/63/53/1069896353.db2.gz VLHLTHHCMBAZJU-BHIFYINESA-N 1 1 471.646 3.991 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001314226713 1069897094 /nfs/dbraw/zinc/89/70/94/1069897094.db2.gz VLHLTHHCMBAZJU-YPAWHYETSA-N 1 1 471.646 3.991 20 0 JHADMO 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 1069904928 /nfs/dbraw/zinc/90/49/28/1069904928.db2.gz HTYIYOQGFWGKOD-UXPWSPDFSA-N 1 1 454.537 3.711 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001314229776 1069913222 /nfs/dbraw/zinc/91/32/22/1069913222.db2.gz WWXQQHFYZHDQDC-SFTDATJTSA-N 1 1 471.646 3.991 20 0 JHADMO 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 1069920574 /nfs/dbraw/zinc/92/05/74/1069920574.db2.gz NBBSGCMKIWFWLI-GGXPGOJBSA-N 1 1 454.974 3.827 20 0 JHADMO C[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312411912 1069917924 /nfs/dbraw/zinc/91/79/24/1069917924.db2.gz JOHOSGNQTIMSBM-KSSFIOAISA-N 1 1 450.908 3.798 20 0 JHADMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)Cc2ccccc21 ZINC001312412655 1069917998 /nfs/dbraw/zinc/91/79/98/1069917998.db2.gz MCQOMROUFKVIGK-DKZVUGQWSA-N 1 1 459.949 3.954 20 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CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H](C)c3cccc(S(N)(=O)=O)c3)ccc21 ZINC001307640712 1070096280 /nfs/dbraw/zinc/09/62/80/1070096280.db2.gz PSZMCDYCVJOWCF-MRXNPFEDSA-N 1 1 450.564 3.751 20 0 JHADMO COCCO[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001307653202 1070103370 /nfs/dbraw/zinc/10/33/70/1070103370.db2.gz BTLPELPYCQMVRG-YKSBVNFPSA-N 1 1 453.583 3.586 20 0 JHADMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1=O ZINC001312755884 1070106077 /nfs/dbraw/zinc/10/60/77/1070106077.db2.gz COPNDFPQBDQXMN-CTUHWIOQSA-N 1 1 452.574 3.794 20 0 JHADMO CCOCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001314321386 1070106509 /nfs/dbraw/zinc/10/65/09/1070106509.db2.gz IYFDXIDCWNRTSZ-HBFSDRIKSA-N 1 1 469.552 3.881 20 0 JHADMO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001307667371 1070112734 /nfs/dbraw/zinc/11/27/34/1070112734.db2.gz SLZANJAADRMROZ-OAQYLSRUSA-N 1 1 459.637 3.817 20 0 JHADMO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001307667371 1070112739 /nfs/dbraw/zinc/11/27/39/1070112739.db2.gz SLZANJAADRMROZ-OAQYLSRUSA-N 1 1 459.637 3.817 20 0 JHADMO CC(C)(CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1Cl ZINC001312769574 1070113024 /nfs/dbraw/zinc/11/30/24/1070113024.db2.gz VLWMIIIJEQUIMJ-INIZCTEOSA-N 1 1 458.828 3.621 20 0 JHADMO CCOCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)Sc1ccccc1 ZINC001314326418 1070113205 /nfs/dbraw/zinc/11/32/05/1070113205.db2.gz ORLIDZYGUYHTMU-JAXLGGSGSA-N 1 1 459.660 3.542 20 0 JHADMO CCOCc1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314329629 1070120820 /nfs/dbraw/zinc/12/08/20/1070120820.db2.gz XUDLIKVSSHXBTG-TZIWHRDSSA-N 1 1 497.562 3.503 20 0 JHADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC001307682401 1070122901 /nfs/dbraw/zinc/12/29/01/1070122901.db2.gz CXWXQJRYAIOSAR-NQIIRXRSSA-N 1 1 451.633 3.709 20 0 JHADMO 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 1070129360 /nfs/dbraw/zinc/12/93/60/1070129360.db2.gz GMPJPLOGERKZSR-RDTXWAMCSA-N 1 1 459.509 3.998 20 0 JHADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC001307693141 1070130189 /nfs/dbraw/zinc/13/01/89/1070130189.db2.gz BUOQJHJFLSVTCA-IBGZPJMESA-N 1 1 454.596 3.732 20 0 JHADMO CCOCc1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314337319 1070132621 /nfs/dbraw/zinc/13/26/21/1070132621.db2.gz ITECHXBTBKTXRR-OYRHEFFESA-N 1 1 471.646 3.707 20 0 JHADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC001307695176 1070132698 /nfs/dbraw/zinc/13/26/98/1070132698.db2.gz IJEVAYCGVOFHQK-SFHVURJKSA-N 1 1 456.450 3.760 20 0 JHADMO CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001314341093 1070140253 /nfs/dbraw/zinc/14/02/53/1070140253.db2.gz GBKWQIXIYIUJOV-PZJWPPBQSA-N 1 1 476.666 3.525 20 0 JHADMO CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001314341391 1070140267 /nfs/dbraw/zinc/14/02/67/1070140267.db2.gz GBKWQIXIYIUJOV-TZIWHRDSSA-N 1 1 476.666 3.525 20 0 JHADMO O=C(NCc1ccncc1OC[C@H]1CCOC1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001312817126 1070139626 /nfs/dbraw/zinc/13/96/26/1070139626.db2.gz SYIGGOBVMDMYEY-PKTZIBPZSA-N 1 1 452.599 3.598 20 0 JHADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)C2)nc1C ZINC001312818607 1070140762 /nfs/dbraw/zinc/14/07/62/1070140762.db2.gz ZHQQMOHMGKXSJS-RLLQIKCJSA-N 1 1 456.612 3.790 20 0 JHADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818609 1070140773 /nfs/dbraw/zinc/14/07/73/1070140773.db2.gz ZHQQMOHMGKXSJS-SXLOBPIMSA-N 1 1 456.612 3.790 20 0 JHADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818580 1070140836 /nfs/dbraw/zinc/14/08/36/1070140836.db2.gz ZHQQMOHMGKXSJS-DFQSSKMNSA-N 1 1 456.612 3.790 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1OCCC1(C)C ZINC001314341936 1070142719 /nfs/dbraw/zinc/14/27/19/1070142719.db2.gz MISXPPRCCOVRMC-HSZRJFAPSA-N 1 1 455.647 3.978 20 0 JHADMO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719513 1070144285 /nfs/dbraw/zinc/14/42/85/1070144285.db2.gz NKAFFFIWMMXAOJ-UXHICEINSA-N 1 1 459.553 3.698 20 0 JHADMO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H](O)CN(C)CC(F)(F)F)cc1 ZINC001307719513 1070144291 /nfs/dbraw/zinc/14/42/91/1070144291.db2.gz NKAFFFIWMMXAOJ-UXHICEINSA-N 1 1 459.553 3.698 20 0 JHADMO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001312827109 1070144694 /nfs/dbraw/zinc/14/46/94/1070144694.db2.gz WVDGQGAHLYRFOO-IFMALSPDSA-N 1 1 457.640 3.795 20 0 JHADMO COc1ccc(OC)c(CN(CCO)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001312826243 1070144724 /nfs/dbraw/zinc/14/47/24/1070144724.db2.gz ZUEWYURFNMVAEO-QFIPXVFZSA-N 1 1 455.599 3.510 20 0 JHADMO 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MUMOXONZINRGKC-FQEVSTJZSA-N 1 1 450.583 3.893 20 0 JHADMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C1 ZINC001308131568 1070324298 /nfs/dbraw/zinc/32/42/98/1070324298.db2.gz MUMOXONZINRGKC-FQEVSTJZSA-N 1 1 450.583 3.893 20 0 JHADMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(I)c2)[C@H]1C ZINC001308155573 1070330738 /nfs/dbraw/zinc/33/07/38/1070330738.db2.gz KWYNEXWGMWQWKD-ZUMXRPEOSA-N 1 1 458.340 3.528 20 0 JHADMO O=C(C[NH+]1CCC(OCc2ccc(Br)cc2)CC1)NC(=O)NC1CCCCC1 ZINC001308164903 1070333523 /nfs/dbraw/zinc/33/35/23/1070333523.db2.gz ISANCGRLBASLIT-UHFFFAOYSA-N 1 1 452.393 3.589 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001308158308 1070331803 /nfs/dbraw/zinc/33/18/03/1070331803.db2.gz VZHXLSUUXXMUDD-HSZRJFAPSA-N 1 1 452.617 3.725 20 0 JHADMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001308158308 1070331823 /nfs/dbraw/zinc/33/18/23/1070331823.db2.gz VZHXLSUUXXMUDD-HSZRJFAPSA-N 1 1 452.617 3.725 20 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CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C(F)(F)F)n(C)n1 ZINC001313396697 1070347611 /nfs/dbraw/zinc/34/76/11/1070347611.db2.gz LAFDLUSFVMFYNR-KXBFYZLASA-N 1 1 452.525 3.584 20 0 JHADMO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001313401151 1070348601 /nfs/dbraw/zinc/34/86/01/1070348601.db2.gz PKWZPDKUJBHRER-FQEVSTJZSA-N 1 1 451.453 3.959 20 0 JHADMO C[C@@H]1CN(Cc2ccc(CN(C)C(=O)NC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001313409617 1070350619 /nfs/dbraw/zinc/35/06/19/1070350619.db2.gz SRDYZTGXDNSVOF-OYRHEFFESA-N 1 1 451.615 3.501 20 0 JHADMO OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001308283165 1070352532 /nfs/dbraw/zinc/35/25/32/1070352532.db2.gz SOUURWSYTDEAJE-TZIWHRDSSA-N 1 1 455.400 3.812 20 0 JHADMO Cc1ccc([C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001308294547 1070353144 /nfs/dbraw/zinc/35/31/44/1070353144.db2.gz HKDGMTMYKNAHHK-QHCPKHFHSA-N 1 1 458.605 3.649 20 0 JHADMO CC(C)[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC001308342000 1070359125 /nfs/dbraw/zinc/35/91/25/1070359125.db2.gz KXJVXLCCBDJZDZ-LBPRGKRZSA-N 1 1 456.142 3.867 20 0 JHADMO CCOCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001314458587 1070360172 /nfs/dbraw/zinc/36/01/72/1070360172.db2.gz FBLKXVNHJUFULC-WIYYLYMNSA-N 1 1 492.462 3.681 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001313447357 1070366252 /nfs/dbraw/zinc/36/62/52/1070366252.db2.gz IZPXDONLCQITDU-NJYVYQBISA-N 1 1 486.636 3.927 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001313447254 1070366554 /nfs/dbraw/zinc/36/65/54/1070366554.db2.gz IZPXDONLCQITDU-HKBOAZHASA-N 1 1 486.636 3.927 20 0 JHADMO CCOCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001314462071 1070369546 /nfs/dbraw/zinc/36/95/46/1070369546.db2.gz SDVGFECDLZKLCY-MHZLTWQESA-N 1 1 485.673 3.882 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)(C)C ZINC001313448049 1070369774 /nfs/dbraw/zinc/36/97/74/1070369774.db2.gz ONLXDTRGJUPJTQ-FQEVSTJZSA-N 1 1 476.691 3.552 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001313448523 1070371139 /nfs/dbraw/zinc/37/11/39/1070371139.db2.gz BBOFPLNLAYJMQD-OALUTQOASA-N 1 1 475.435 3.503 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001313448665 1070372590 /nfs/dbraw/zinc/37/25/90/1070372590.db2.gz SRNSXPZCOFQEAP-FFZOFVMBSA-N 1 1 496.425 3.571 20 0 JHADMO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3cn4ccc(Br)cc4n3)CC2)cc1 ZINC001308410755 1070372606 /nfs/dbraw/zinc/37/26/06/1070372606.db2.gz GQPGZSDKLMNZQV-UHFFFAOYSA-N 1 1 456.388 3.809 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1 ZINC001313449024 1070373374 /nfs/dbraw/zinc/37/33/74/1070373374.db2.gz ULWFHNDFPOKXAZ-AEFFLSMTSA-N 1 1 465.440 3.773 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001313449564 1070374404 /nfs/dbraw/zinc/37/44/04/1070374404.db2.gz XVAKNKYRFOXEOD-WWMYMODYSA-N 1 1 492.462 3.798 20 0 JHADMO Cn1ncc(I)c1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC001308498861 1070382414 /nfs/dbraw/zinc/38/24/14/1070382414.db2.gz FQGNCKAEIWJSTJ-UHFFFAOYSA-N 1 1 457.113 3.625 20 0 JHADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001308503263 1070382657 /nfs/dbraw/zinc/38/26/57/1070382657.db2.gz QKAICIFDTQMDDS-UHFFFAOYSA-N 1 1 451.032 3.640 20 0 JHADMO CCn1c(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)nc(Br)c1Br ZINC001308512549 1070383692 /nfs/dbraw/zinc/38/36/92/1070383692.db2.gz DMHNHXLZKRFHRX-JTQLQIEISA-N 1 1 452.191 3.527 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313452832 1070384073 /nfs/dbraw/zinc/38/40/73/1070384073.db2.gz MYYXDKMHVSIGJG-CVDCTZTESA-N 1 1 451.681 3.525 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1C(C)(C)C ZINC001313452826 1070384169 /nfs/dbraw/zinc/38/41/69/1070384169.db2.gz MNTUXJRMAAIKDK-IBGZPJMESA-N 1 1 458.626 3.924 20 0 JHADMO CCn1c(Br)c(Br)nc1C[NH2+][C@@H]1COc2c(F)cc(F)cc2C1 ZINC001308548889 1070388685 /nfs/dbraw/zinc/38/86/85/1070388685.db2.gz LVSOHAVVZTYGMI-JTQLQIEISA-N 1 1 451.109 3.800 20 0 JHADMO CCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001314480601 1070392837 /nfs/dbraw/zinc/39/28/37/1070392837.db2.gz VYUGJKZCGSEDPR-OAQYLSRUSA-N 1 1 488.652 3.589 20 0 JHADMO COc1nc(N2CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)ncc1Br ZINC001308582161 1070393838 /nfs/dbraw/zinc/39/38/38/1070393838.db2.gz BRFILBKXJSDYFN-UHFFFAOYSA-N 1 1 454.781 3.833 20 0 JHADMO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314486275 1070398011 /nfs/dbraw/zinc/39/80/11/1070398011.db2.gz LJUSCGQEUBAELT-UHFFFAOYSA-N 1 1 478.682 3.740 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001313457316 1070398761 /nfs/dbraw/zinc/39/87/61/1070398761.db2.gz CKIUXMZLAMNSLU-IRLDBZIGSA-N 1 1 498.672 3.579 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001313457315 1070398836 /nfs/dbraw/zinc/39/88/36/1070398836.db2.gz CKIUXMZLAMNSLU-IFMALSPDSA-N 1 1 498.672 3.579 20 0 JHADMO Cc1cc(Br)cn2c(CN3CCN(CC[N@H+](C)Cc4ccccc4)CC3)cnc12 ZINC001308616596 1070402182 /nfs/dbraw/zinc/40/21/82/1070402182.db2.gz YABJKGUPSCVICZ-UHFFFAOYSA-N 1 1 456.432 3.655 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(C)C)CC1 ZINC001314494679 1070410910 /nfs/dbraw/zinc/41/09/10/1070410910.db2.gz WXAAJZHFQUYURO-UHFFFAOYSA-N 1 1 470.662 3.988 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)nc2)C[C@@H]1CC ZINC001314494561 1070411095 /nfs/dbraw/zinc/41/10/95/1070411095.db2.gz SMIKUTQJWKBZGM-QHCPKHFHSA-N 1 1 483.705 3.946 20 0 JHADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001308656561 1070411650 /nfs/dbraw/zinc/41/16/50/1070411650.db2.gz KOHBUPGLRZTLGL-QGZVFWFLSA-N 1 1 459.612 3.820 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001313460894 1070412895 /nfs/dbraw/zinc/41/28/95/1070412895.db2.gz PVMDARKQPCYDEF-HXUWFJFHSA-N 1 1 457.022 3.603 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2cccnc2)CC1 ZINC001314495761 1070415421 /nfs/dbraw/zinc/41/54/21/1070415421.db2.gz CKWNHRNFNJWOID-UHFFFAOYSA-N 1 1 485.430 3.504 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1CC ZINC001314495804 1070415507 /nfs/dbraw/zinc/41/55/07/1070415507.db2.gz KEZWNMMYYSWDHW-QHCPKHFHSA-N 1 1 478.641 3.553 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(OC)CCC(C)CC2)C[C@@H]1CC ZINC001314496557 1070417843 /nfs/dbraw/zinc/41/78/43/1070417843.db2.gz TVHHMEXGRMPRRI-JQJXBVGUSA-N 1 1 458.651 3.806 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001314497672 1070421504 /nfs/dbraw/zinc/42/15/04/1070421504.db2.gz DIIKGCRWXRZPER-UHFFFAOYSA-N 1 1 495.575 3.525 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001314498063 1070422920 /nfs/dbraw/zinc/42/29/20/1070422920.db2.gz WBKYLIGJCROASS-OALUTQOASA-N 1 1 492.462 3.681 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)CCCS2)CC1 ZINC001314498479 1070423866 /nfs/dbraw/zinc/42/38/66/1070423866.db2.gz ORRDENFZIAIAOC-VWLOTQADSA-N 1 1 473.687 3.918 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)nc2)C[C@@H]1CC ZINC001314498773 1070425607 /nfs/dbraw/zinc/42/56/07/1070425607.db2.gz GXDQGKVVFFDRGD-QHCPKHFHSA-N 1 1 466.605 3.697 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2nccs2)CC1 ZINC001314499369 1070427423 /nfs/dbraw/zinc/42/74/23/1070427423.db2.gz ZBKKAUQLEIJKQR-VAMGGRTRSA-N 1 1 476.691 3.615 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(Br)cc2)CC1 ZINC001314499598 1070428020 /nfs/dbraw/zinc/42/80/20/1070428020.db2.gz PNNBSJUBQVARJM-UHFFFAOYSA-N 1 1 462.436 3.709 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC2(C)C)CC1 ZINC001314498180 1070423015 /nfs/dbraw/zinc/42/30/15/1070423015.db2.gz KLPZLPYXOBFJRN-SFHVURJKSA-N 1 1 492.462 3.824 20 0 JHADMO Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001308766587 1070434325 /nfs/dbraw/zinc/43/43/25/1070434325.db2.gz MTRPNRMKJJUKKU-QUCCMNQESA-N 1 1 470.923 3.882 20 0 JHADMO Cn1cc([C@H]2C[N@@H+](Cc3cc(C(C)(C)NC(=O)OC(C)(C)C)no3)CC23CCOCC3)cn1 ZINC001308774716 1070435784 /nfs/dbraw/zinc/43/57/84/1070435784.db2.gz UHKYXEYEKPIPBZ-LJQANCHMSA-N 1 1 459.591 3.564 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001313465951 1070435877 /nfs/dbraw/zinc/43/58/77/1070435877.db2.gz QOTWHEWLSCSLAR-DNVJHFABSA-N 1 1 474.694 3.569 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001313466122 1070437105 /nfs/dbraw/zinc/43/71/05/1070437105.db2.gz KFOKZGKCRMPFSJ-BDTNDASRSA-N 1 1 483.705 3.783 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001313466828 1070440586 /nfs/dbraw/zinc/44/05/86/1070440586.db2.gz NJIRPZRZUTVVAU-IRLDBZIGSA-N 1 1 477.657 3.966 20 0 JHADMO COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1C ZINC001308913398 1070459129 /nfs/dbraw/zinc/45/91/29/1070459129.db2.gz PBEZGTFZVLFKNZ-XMMPIXPASA-N 1 1 450.624 3.826 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001313471137 1070460310 /nfs/dbraw/zinc/46/03/10/1070460310.db2.gz CBPDIHLLIQALBV-LJQANCHMSA-N 1 1 488.080 3.857 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001313472415 1070466494 /nfs/dbraw/zinc/46/64/94/1070466494.db2.gz ZKCVIRMOLWZLEI-NRFANRHFSA-N 1 1 452.647 3.728 20 0 JHADMO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC001308930151 1070461260 /nfs/dbraw/zinc/46/12/60/1070461260.db2.gz BAADCJZYKYBPRB-FQEVSTJZSA-N 1 1 456.374 3.690 20 0 JHADMO CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313473160 1070469301 /nfs/dbraw/zinc/46/93/01/1070469301.db2.gz APQMPSCNBXRCBC-ONTIZHBOSA-N 1 1 470.662 3.870 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001313474874 1070473900 /nfs/dbraw/zinc/47/39/00/1070473900.db2.gz MHWLKKUWRGRBBW-RTWAWAEBSA-N 1 1 484.664 3.871 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314515226 1070485396 /nfs/dbraw/zinc/48/53/96/1070485396.db2.gz FHPDINHXSDDENM-LEWJYISDSA-N 1 1 498.697 3.873 20 0 JHADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314515982 1070488906 /nfs/dbraw/zinc/48/89/06/1070488906.db2.gz IBKNFHHIUUEQMW-QZTJIDSGSA-N 1 1 468.067 3.590 20 0 JHADMO COC(=O)C1(NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC001309033170 1070497816 /nfs/dbraw/zinc/49/78/16/1070497816.db2.gz UARHEONJIPMDIC-XZOQPEGZSA-N 1 1 474.598 3.589 20 0 JHADMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Br)cc3C)CC2)cc1 ZINC001309036486 1070499702 /nfs/dbraw/zinc/49/97/02/1070499702.db2.gz YEHNARVXAWIFDL-UHFFFAOYSA-N 1 1 453.402 3.663 20 0 JHADMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Br)cc3C)CC2)cc1 ZINC001309036486 1070499709 /nfs/dbraw/zinc/49/97/09/1070499709.db2.gz YEHNARVXAWIFDL-UHFFFAOYSA-N 1 1 453.402 3.663 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314520131 1070503740 /nfs/dbraw/zinc/50/37/40/1070503740.db2.gz BZNPREHXPZVQBS-RBUKOAKNSA-N 1 1 497.656 3.527 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314521350 1070507315 /nfs/dbraw/zinc/50/73/15/1070507315.db2.gz ZXLFKXLNKOVXLG-UFYCRDLUSA-N 1 1 486.686 3.806 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+](C)C1CCCC1 ZINC001314523434 1070513881 /nfs/dbraw/zinc/51/38/81/1070513881.db2.gz XDPFTSFVLDDANO-UHFFFAOYSA-N 1 1 488.485 3.997 20 0 JHADMO CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313493919 1070514934 /nfs/dbraw/zinc/51/49/34/1070514934.db2.gz YCRIOFOSNTYDSN-FCHUYYIVSA-N 1 1 452.647 3.871 20 0 JHADMO CCCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313494500 1070515920 /nfs/dbraw/zinc/51/59/20/1070515920.db2.gz GIUQITHWHXMPEX-UHFFFAOYSA-N 1 1 461.054 3.605 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501744 1070526092 /nfs/dbraw/zinc/52/60/92/1070526092.db2.gz HGSCBMMIYSKFQA-UXHICEINSA-N 1 1 481.645 3.752 20 0 JHADMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 ZINC001309088018 1070531552 /nfs/dbraw/zinc/53/15/52/1070531552.db2.gz PJBGNYNNAMMGTM-UGKGYDQZSA-N 1 1 458.624 3.983 20 0 JHADMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 ZINC001309088015 1070531653 /nfs/dbraw/zinc/53/16/53/1070531653.db2.gz PJBGNYNNAMMGTM-SIKLNZKXSA-N 1 1 458.624 3.983 20 0 JHADMO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314538215 1070533332 /nfs/dbraw/zinc/53/33/32/1070533332.db2.gz LKDMYBAQSUZYLR-HXUWFJFHSA-N 1 1 496.766 3.628 20 0 JHADMO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)c3ccccc32)c2cccs2)CC1 ZINC001309102324 1070541235 /nfs/dbraw/zinc/54/12/35/1070541235.db2.gz CQERDEDSVZUCGK-LJQANCHMSA-N 1 1 450.029 3.822 20 0 JHADMO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)c3ccccc32)c2cccs2)CC1 ZINC001309102321 1070541461 /nfs/dbraw/zinc/54/14/61/1070541461.db2.gz CQERDEDSVZUCGK-IBGZPJMESA-N 1 1 450.029 3.822 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCC(F)(F)F)cc1OC ZINC001313505211 1070542109 /nfs/dbraw/zinc/54/21/09/1070542109.db2.gz PMWSLBTUNDTONZ-GOSISDBHSA-N 1 1 483.535 3.606 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCC(F)(F)F)cc1OC ZINC001313505211 1070542123 /nfs/dbraw/zinc/54/21/23/1070542123.db2.gz PMWSLBTUNDTONZ-GOSISDBHSA-N 1 1 483.535 3.606 20 0 JHADMO 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CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001313904728 1071519782 /nfs/dbraw/zinc/51/97/82/1071519782.db2.gz LGTXXLQDSLVDHV-SFTDATJTSA-N 1 1 457.598 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001313906250 1071524059 /nfs/dbraw/zinc/52/40/59/1071524059.db2.gz VRLCKOZLLLDAQV-ZCNNSNEGSA-N 1 1 488.608 3.709 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001313905602 1071522136 /nfs/dbraw/zinc/52/21/36/1071522136.db2.gz VZZRTNABYBDDDS-VWNXMTODSA-N 1 1 471.646 3.588 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313907236 1071526776 /nfs/dbraw/zinc/52/67/76/1071526776.db2.gz ARLCDNJVNZDIKZ-GAJHUEQPSA-N 1 1 463.001 3.574 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNC(=O)C(C)C ZINC001313907436 1071527527 /nfs/dbraw/zinc/52/75/27/1071527527.db2.gz FJAHEMYJBBDWMC-HXUWFJFHSA-N 1 1 452.603 3.774 20 0 JHADMO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315004739 1071530972 /nfs/dbraw/zinc/53/09/72/1071530972.db2.gz QZYFCFJXCAWEQK-KDURUIRLSA-N 1 1 472.703 3.649 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908377 1071530153 /nfs/dbraw/zinc/53/01/53/1071530153.db2.gz NEJZCKWEOSUXMK-AZUAARDMSA-N 1 1 486.642 3.566 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313909234 1071531811 /nfs/dbraw/zinc/53/18/11/1071531811.db2.gz PZYWCJUBXQVLOY-DHIUTWEWSA-N 1 1 482.673 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001313909622 1071533285 /nfs/dbraw/zinc/53/32/85/1071533285.db2.gz RQGWKQCDSBNVIT-XMMPIXPASA-N 1 1 496.700 3.641 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001313910095 1071534647 /nfs/dbraw/zinc/53/46/47/1071534647.db2.gz UYGRLCPRLIDNLR-IOMROCGXSA-N 1 1 492.462 3.822 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O ZINC001313910138 1071534694 /nfs/dbraw/zinc/53/46/94/1071534694.db2.gz VHNCXGLUOBLZAD-HOCLYGCPSA-N 1 1 453.418 3.826 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313910453 1071535285 /nfs/dbraw/zinc/53/52/85/1071535285.db2.gz KIKXFLCSQMMCMJ-INIZCTEOSA-N 1 1 450.513 3.536 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001313910572 1071535674 /nfs/dbraw/zinc/53/56/74/1071535674.db2.gz WZFOKRLCRADJLB-JKSUJKDBSA-N 1 1 495.491 3.735 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313910999 1071536919 /nfs/dbraw/zinc/53/69/19/1071536919.db2.gz XVGWFVNPGVQHFX-FQEVSTJZSA-N 1 1 463.630 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F ZINC001313910856 1071537142 /nfs/dbraw/zinc/53/71/42/1071537142.db2.gz ZVJPWFGMSSUQOX-IBGZPJMESA-N 1 1 470.618 3.920 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001313910836 1071537196 /nfs/dbraw/zinc/53/71/96/1071537196.db2.gz ZQRMPFWKFIJEBO-VWNXMTODSA-N 1 1 466.674 3.631 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001313913068 1071541870 /nfs/dbraw/zinc/54/18/70/1071541870.db2.gz KEJQAFMKDYFGAB-FQEVSTJZSA-N 1 1 458.676 3.910 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313911811 1071538454 /nfs/dbraw/zinc/53/84/54/1071538454.db2.gz RGHAIEIOCFOEAI-CZTZKLFOSA-N 1 1 483.661 3.872 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001313912115 1071538501 /nfs/dbraw/zinc/53/85/01/1071538501.db2.gz MMKORZHCSVHQTG-VXKWHMMOSA-N 1 1 468.646 3.657 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001313911963 1071539031 /nfs/dbraw/zinc/53/90/31/1071539031.db2.gz GDLNFNWMWCUHPH-QFIPXVFZSA-N 1 1 468.646 3.522 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313913848 1071544908 /nfs/dbraw/zinc/54/49/08/1071544908.db2.gz ZOBSIHXGLBFNPE-MRXNPFEDSA-N 1 1 493.475 3.971 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCc1cnccn1 ZINC001313913764 1071545023 /nfs/dbraw/zinc/54/50/23/1071545023.db2.gz LSNRLEGSKHUCTJ-QHCPKHFHSA-N 1 1 463.630 3.817 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313914363 1071546779 /nfs/dbraw/zinc/54/67/79/1071546779.db2.gz MSMUXGLMLNDWCQ-HFZDXXHNSA-N 1 1 477.694 3.977 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315024193 1071546832 /nfs/dbraw/zinc/54/68/32/1071546832.db2.gz MENKZMIOQDLJNK-FQEVSTJZSA-N 1 1 484.664 3.871 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 ZINC001313914833 1071548831 /nfs/dbraw/zinc/54/88/31/1071548831.db2.gz OEVUKDKKYOFYGI-QUCCMNQESA-N 1 1 478.435 3.719 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001313915793 1071550419 /nfs/dbraw/zinc/55/04/19/1071550419.db2.gz SRWFVWIYFOOQGU-PMACEKPBSA-N 1 1 487.670 3.843 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313915483 1071550452 /nfs/dbraw/zinc/55/04/52/1071550452.db2.gz SKNVIDNMBBLOJC-LEWJYISDSA-N 1 1 476.666 3.840 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313915821 1071551454 /nfs/dbraw/zinc/55/14/54/1071551454.db2.gz TZTMYPHOQJZHRF-IBVKSMDESA-N 1 1 487.645 3.978 20 0 JHADMO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001313915779 1071551552 /nfs/dbraw/zinc/55/15/52/1071551552.db2.gz LIUUVMCNGFYVHL-SZPZYZBQSA-N 1 1 482.673 3.770 20 0 JHADMO CCN1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001313916350 1071552625 /nfs/dbraw/zinc/55/26/25/1071552625.db2.gz AALVAYWEMLQQNL-UHFFFAOYSA-N 1 1 458.676 3.674 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001315027953 1071555001 /nfs/dbraw/zinc/55/50/01/1071555001.db2.gz ZMHSOVUFAGWHCL-DEOSSOPVSA-N 1 1 466.674 3.536 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313919439 1071556872 /nfs/dbraw/zinc/55/68/72/1071556872.db2.gz BNLCEIHIENTZSW-INIZCTEOSA-N 1 1 490.450 3.600 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001313921772 1071562527 /nfs/dbraw/zinc/56/25/27/1071562527.db2.gz SHDNMBTYULCULI-LJQANCHMSA-N 1 1 454.594 3.956 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313922287 1071563692 /nfs/dbraw/zinc/56/36/92/1071563692.db2.gz UXPLUNRFYNQHDD-HNNXBMFYSA-N 1 1 470.506 3.749 20 0 JHADMO CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001313922920 1071565755 /nfs/dbraw/zinc/56/57/55/1071565755.db2.gz YOAKYVJXOUOZIW-OAHLLOKOSA-N 1 1 469.859 3.843 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3Cc3cscc3C)CC2)CC1 ZINC001313923359 1071566910 /nfs/dbraw/zinc/56/69/10/1071566910.db2.gz JNTVTPZEBSZZEA-UHFFFAOYSA-N 1 1 472.703 3.665 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC3(C)C)CC2)CC1 ZINC001313923542 1071567416 /nfs/dbraw/zinc/56/74/16/1071567416.db2.gz OPYKRULHZGZUCW-OAQYLSRUSA-N 1 1 458.695 3.683 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C2CCC2)CC1 ZINC001313924272 1071569514 /nfs/dbraw/zinc/56/95/14/1071569514.db2.gz DBMWOXIZDQZVAT-FQEVSTJZSA-N 1 1 470.662 3.756 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313924451 1071570860 /nfs/dbraw/zinc/57/08/60/1071570860.db2.gz GFSQFUZQBUXYDF-MRXNPFEDSA-N 1 1 485.986 3.798 20 0 JHADMO CNC(=O)CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315038706 1071571320 /nfs/dbraw/zinc/57/13/20/1071571320.db2.gz BXLATEPNVKMNNS-IBGZPJMESA-N 1 1 470.662 3.557 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313924808 1071572000 /nfs/dbraw/zinc/57/20/00/1071572000.db2.gz JCANUUFWULJOHN-GJZUVCINSA-N 1 1 454.663 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313926778 1071577477 /nfs/dbraw/zinc/57/74/77/1071577477.db2.gz YCLFFTCGESVDGT-OALUTQOASA-N 1 1 461.054 3.628 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313926753 1071577565 /nfs/dbraw/zinc/57/75/65/1071577565.db2.gz GEVMYQNKLKYZST-LJQANCHMSA-N 1 1 490.643 3.928 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927343 1071579967 /nfs/dbraw/zinc/57/99/67/1071579967.db2.gz JSGJBKBUDHOTSM-VQTJNVASSA-N 1 1 483.611 3.766 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313928004 1071581792 /nfs/dbraw/zinc/58/17/92/1071581792.db2.gz MVZAQPSAUHJTGI-ILBGXUMGSA-N 1 1 498.716 3.710 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001315057322 1071582468 /nfs/dbraw/zinc/58/24/68/1071582468.db2.gz RILVRVAGZDQRKL-UHFFFAOYSA-N 1 1 467.662 3.578 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001313928302 1071583190 /nfs/dbraw/zinc/58/31/90/1071583190.db2.gz ACUYTIPKMSSCJH-OALUTQOASA-N 1 1 477.053 3.743 20 0 JHADMO CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928340 1071583851 /nfs/dbraw/zinc/58/38/51/1071583851.db2.gz ATMREGRGCPORSY-NZQKXSOJSA-N 1 1 454.663 3.952 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313929578 1071586771 /nfs/dbraw/zinc/58/67/71/1071586771.db2.gz SMZRASHLULJLRJ-NRFANRHFSA-N 1 1 481.689 3.628 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001313929667 1071587542 /nfs/dbraw/zinc/58/75/42/1071587542.db2.gz ICSKWNJYXFVVLI-YTZAWJCFSA-N 1 1 457.550 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001313930300 1071589467 /nfs/dbraw/zinc/58/94/67/1071589467.db2.gz BLCPTHKRVLVPPZ-MAUKXSAKSA-N 1 1 469.627 3.926 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313930649 1071590048 /nfs/dbraw/zinc/59/00/48/1071590048.db2.gz NSMTYNSKCUNEHL-DLBZAZTESA-N 1 1 498.441 3.677 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313931775 1071593571 /nfs/dbraw/zinc/59/35/71/1071593571.db2.gz ZRUGUIBBBRWNIC-YPAWHYETSA-N 1 1 456.704 3.534 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313932278 1071594913 /nfs/dbraw/zinc/59/49/13/1071594913.db2.gz HUUIMPOSDRZXEH-HTAPYJJXSA-N 1 1 481.483 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313932563 1071595553 /nfs/dbraw/zinc/59/55/53/1071595553.db2.gz IHTBSALGUJSVKW-XDHUDOTRSA-N 1 1 481.563 3.509 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313933054 1071596842 /nfs/dbraw/zinc/59/68/42/1071596842.db2.gz ZCKWVDDNGGBVOW-JTHBVZDNSA-N 1 1 484.689 3.676 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)COC)C[C@@H]1C ZINC001313933695 1071599159 /nfs/dbraw/zinc/59/91/59/1071599159.db2.gz QATQFYMWVSWOTR-PMACEKPBSA-N 1 1 453.587 3.930 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599245 /nfs/dbraw/zinc/59/92/45/1071599245.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 1 1 478.483 3.831 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599250 /nfs/dbraw/zinc/59/92/50/1071599250.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 1 1 478.483 3.831 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313934804 1071603564 /nfs/dbraw/zinc/60/35/64/1071603564.db2.gz TZPCDDWFKJHUDM-QFIPXVFZSA-N 1 1 481.689 3.800 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599755 /nfs/dbraw/zinc/59/97/55/1071599755.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 1 1 478.483 3.688 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599759 /nfs/dbraw/zinc/59/97/59/1071599759.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 1 1 478.483 3.688 20 0 JHADMO 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 1071601234 /nfs/dbraw/zinc/60/12/34/1071601234.db2.gz QIQGCXRNLYHGEB-OALUTQOASA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCO2)C[C@H]1C ZINC001313934700 1071602977 /nfs/dbraw/zinc/60/29/77/1071602977.db2.gz VBMYPVMXYRCYST-HUUCEWRRSA-N 1 1 452.422 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)C[C@H]1C ZINC001313934741 1071603007 /nfs/dbraw/zinc/60/30/07/1071603007.db2.gz VIMJMOCBWZQKAK-GOSISDBHSA-N 1 1 459.660 3.705 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313935186 1071605462 /nfs/dbraw/zinc/60/54/62/1071605462.db2.gz FJXRTIJMJXVDGN-MZLICYQSSA-N 1 1 471.646 3.944 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313935461 1071605938 /nfs/dbraw/zinc/60/59/38/1071605938.db2.gz WYYMLHSSAZQIKA-OPAMFIHVSA-N 1 1 479.467 3.518 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001313935816 1071607352 /nfs/dbraw/zinc/60/73/52/1071607352.db2.gz ZHPJYNCRPGTKJR-INCQDFKNSA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001313935816 1071607355 /nfs/dbraw/zinc/60/73/55/1071607355.db2.gz ZHPJYNCRPGTKJR-INCQDFKNSA-N 1 1 498.466 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C[C@@H]1C ZINC001313936414 1071608010 /nfs/dbraw/zinc/60/80/10/1071608010.db2.gz FQLKUZUSCLXPCY-FQEVSTJZSA-N 1 1 490.693 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313936473 1071608495 /nfs/dbraw/zinc/60/84/95/1071608495.db2.gz OLNJDCIBZDYXPK-MRXNPFEDSA-N 1 1 487.004 3.598 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313936727 1071609051 /nfs/dbraw/zinc/60/90/51/1071609051.db2.gz IBDOJQZHTFSGDA-GOSISDBHSA-N 1 1 459.635 3.666 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313937299 1071610258 /nfs/dbraw/zinc/61/02/58/1071610258.db2.gz DVSPPJCZMLHWTL-OXQOHEQNSA-N 1 1 464.536 3.935 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313937458 1071610899 /nfs/dbraw/zinc/61/08/99/1071610899.db2.gz UQIPWXRGNUMNFY-INIZCTEOSA-N 1 1 456.978 3.589 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2c[nH]nc2C)C[C@@H]1C ZINC001313937882 1071611482 /nfs/dbraw/zinc/61/14/82/1071611482.db2.gz WRUSRQYVQUAZLY-INIZCTEOSA-N 1 1 458.010 3.802 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(OC)cc2)C[C@@H]1C ZINC001313940958 1071615678 /nfs/dbraw/zinc/61/56/78/1071615678.db2.gz QQXOVPQZMBLXSA-IBGZPJMESA-N 1 1 455.628 3.939 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313939483 1071613344 /nfs/dbraw/zinc/61/33/44/1071613344.db2.gz BEOABMNIJWZWDD-RBBKRZOGSA-N 1 1 478.607 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313940111 1071613996 /nfs/dbraw/zinc/61/39/96/1071613996.db2.gz VMXMUXBYLMORPA-MRXNPFEDSA-N 1 1 459.019 3.620 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313940232 1071614070 /nfs/dbraw/zinc/61/40/70/1071614070.db2.gz KTMIHFSHOGPEHJ-NRFANRHFSA-N 1 1 455.647 3.923 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313941551 1071617433 /nfs/dbraw/zinc/61/74/33/1071617433.db2.gz WPOMLVKUWWSISF-QGZVFWFLSA-N 1 1 489.690 3.564 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313942069 1071618827 /nfs/dbraw/zinc/61/88/27/1071618827.db2.gz HIWLBRLGGXAYCM-AZUAARDMSA-N 1 1 469.552 3.972 20 0 JHADMO CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942562 1071620802 /nfs/dbraw/zinc/62/08/02/1071620802.db2.gz KAAGIYXPJBITBY-DHIUTWEWSA-N 1 1 454.663 3.552 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313945528 1071626810 /nfs/dbraw/zinc/62/68/10/1071626810.db2.gz IRIILWIYMOSOFE-LJQANCHMSA-N 1 1 454.022 3.950 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313943644 1071623718 /nfs/dbraw/zinc/62/37/18/1071623718.db2.gz UJYFONDYXDAHFU-JTAQYXEDSA-N 1 1 471.646 3.519 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCOCC2)C[C@@H]1C ZINC001313943960 1071623909 /nfs/dbraw/zinc/62/39/09/1071623909.db2.gz XNYLOFWHLBJRPL-QHCPKHFHSA-N 1 1 484.689 3.542 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001313945111 1071625676 /nfs/dbraw/zinc/62/56/76/1071625676.db2.gz YINGCMYFBROZJU-FPOVZHCZSA-N 1 1 464.614 3.903 20 0 JHADMO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001313946396 1071628480 /nfs/dbraw/zinc/62/84/80/1071628480.db2.gz RKGYRVBLFKSWGF-DHLKQENFSA-N 1 1 461.658 3.877 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)C[C@@H]1C ZINC001313946396 1071628482 /nfs/dbraw/zinc/62/84/82/1071628482.db2.gz RKGYRVBLFKSWGF-DHLKQENFSA-N 1 1 461.658 3.877 20 0 JHADMO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCCCn3cc[nH+]c3C)CC2)C1=O ZINC001313947418 1071631755 /nfs/dbraw/zinc/63/17/55/1071631755.db2.gz LNEKIPXPMXIIAC-UHFFFAOYSA-N 1 1 470.666 3.578 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CSc4ccc(C)cc4)n3CCOC(C)C)C2)CC1 ZINC001313947864 1071632806 /nfs/dbraw/zinc/63/28/06/1071632806.db2.gz DBPWEUUFUVNEQW-JOCHJYFZSA-N 1 1 472.703 3.520 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CSC)c3)C2)CC1 ZINC001313948174 1071633329 /nfs/dbraw/zinc/63/33/29/1071633329.db2.gz PIGFGPJZERZSKC-QHCPKHFHSA-N 1 1 470.731 3.994 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001313948745 1071634471 /nfs/dbraw/zinc/63/44/71/1071634471.db2.gz HPWSYRDFLODOAJ-GBXCKJPGSA-N 1 1 493.121 3.601 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C[C@@H]1C ZINC001313948948 1071635263 /nfs/dbraw/zinc/63/52/63/1071635263.db2.gz MPQMZPMSVVZKTD-JTJYXVOQSA-N 1 1 457.619 3.744 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313950364 1071638106 /nfs/dbraw/zinc/63/81/06/1071638106.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 1 1 461.054 3.915 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313950364 1071638109 /nfs/dbraw/zinc/63/81/09/1071638109.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 1 1 461.054 3.915 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313950360 1071638180 /nfs/dbraw/zinc/63/81/80/1071638180.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 1 1 461.054 3.915 20 0 JHADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313950360 1071638183 /nfs/dbraw/zinc/63/81/83/1071638183.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 1 1 461.054 3.915 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313952341 1071645181 /nfs/dbraw/zinc/64/51/81/1071645181.db2.gz ZCTKYJFILHNHTA-PWRODBHTSA-N 1 1 491.080 3.570 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951354 1071641746 /nfs/dbraw/zinc/64/17/46/1071641746.db2.gz GVWREHITTBDKNR-PGRDOPGGSA-N 1 1 479.044 3.832 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951493 1071642407 /nfs/dbraw/zinc/64/24/07/1071642407.db2.gz ISFJPGGCECQXLK-KSEOMHKRSA-N 1 1 496.691 3.952 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952957 1071647167 /nfs/dbraw/zinc/64/71/67/1071647167.db2.gz VKDAWKUQPLBSGQ-RJGXRXQPSA-N 1 1 486.730 3.766 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313953297 1071648484 /nfs/dbraw/zinc/64/84/84/1071648484.db2.gz JPOVYKHTZURUPE-HXUWFJFHSA-N 1 1 468.049 3.904 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313953560 1071648934 /nfs/dbraw/zinc/64/89/34/1071648934.db2.gz ICKLANQYZIHTFR-UHFFFAOYSA-N 1 1 472.037 3.949 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC3CCCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001313953734 1071649431 /nfs/dbraw/zinc/64/94/31/1071649431.db2.gz JDYWYKVTJWGFLB-NRFANRHFSA-N 1 1 499.670 3.501 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953721 1071649463 /nfs/dbraw/zinc/64/94/63/1071649463.db2.gz IOJITHWMUNJDJD-JTMIDMFHSA-N 1 1 488.746 3.928 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC001313954152 1071650651 /nfs/dbraw/zinc/65/06/51/1071650651.db2.gz OEQOKPZQMDWUAK-UHFFFAOYSA-N 1 1 491.128 3.976 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313954428 1071651808 /nfs/dbraw/zinc/65/18/08/1071651808.db2.gz QPKIRZGJLKDSIY-DEOSSOPVSA-N 1 1 472.653 3.611 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313955053 1071654250 /nfs/dbraw/zinc/65/42/50/1071654250.db2.gz DTOWZLMPBFKJFQ-TZIWHRDSSA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313955651 1071656058 /nfs/dbraw/zinc/65/60/58/1071656058.db2.gz YBUORHQLZXBPAT-SFTDATJTSA-N 1 1 472.703 3.702 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001313957419 1071660052 /nfs/dbraw/zinc/66/00/52/1071660052.db2.gz FZXYKLPYYVOZAO-UHFFFAOYSA-N 1 1 492.590 3.629 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)CC1 ZINC001313957469 1071660675 /nfs/dbraw/zinc/66/06/75/1071660675.db2.gz UUTQGKYMHCRTBA-QHCPKHFHSA-N 1 1 468.690 3.800 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313957919 1071661851 /nfs/dbraw/zinc/66/18/51/1071661851.db2.gz SBVSDERGOUVAIU-HJOGWXRNSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313958497 1071664092 /nfs/dbraw/zinc/66/40/92/1071664092.db2.gz SNVZZSGOPHRUPT-UHFFFAOYSA-N 1 1 450.553 3.751 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313958959 1071665199 /nfs/dbraw/zinc/66/51/99/1071665199.db2.gz YQNWWONLSUJZKN-UHFFFAOYSA-N 1 1 494.869 3.510 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313960197 1071669219 /nfs/dbraw/zinc/66/92/19/1071669219.db2.gz FQEICYLWYFODFK-YADHBBJMSA-N 1 1 456.704 3.535 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313960110 1071669376 /nfs/dbraw/zinc/66/93/76/1071669376.db2.gz DQYOYDCAHNUBSN-QFIPXVFZSA-N 1 1 450.631 3.995 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313960741 1071670418 /nfs/dbraw/zinc/67/04/18/1071670418.db2.gz MCJROZNKYUDGBI-VWLOTQADSA-N 1 1 491.080 3.543 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313961030 1071671647 /nfs/dbraw/zinc/67/16/47/1071671647.db2.gz PDLRVDFHCFTUJB-QFIPXVFZSA-N 1 1 484.689 3.766 20 0 JHADMO CCN1CC[NH+](CCCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)CC1 ZINC001313961494 1071672277 /nfs/dbraw/zinc/67/22/77/1071672277.db2.gz UKGDQLFZTSYWKJ-KRWDZBQOSA-N 1 1 461.452 3.500 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313961555 1071672696 /nfs/dbraw/zinc/67/26/96/1071672696.db2.gz VEIFNUNQHHEMFE-JOCHJYFZSA-N 1 1 452.647 3.774 20 0 JHADMO CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CCC1 ZINC001313975338 1071705447 /nfs/dbraw/zinc/70/54/47/1071705447.db2.gz PIMVGFXIMPFKGC-MSOLQXFVSA-N 1 1 459.038 3.824 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001313995000 1071730804 /nfs/dbraw/zinc/73/08/04/1071730804.db2.gz LBXHWLRJUKTQCI-NFBKMPQASA-N 1 1 467.662 3.554 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001313995009 1071730876 /nfs/dbraw/zinc/73/08/76/1071730876.db2.gz LBXHWLRJUKTQCI-REWPJTCUSA-N 1 1 467.662 3.554 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001313996175 1071733077 /nfs/dbraw/zinc/73/30/77/1071733077.db2.gz SFCRUMIZWSREQV-RTBURBONSA-N 1 1 492.068 3.653 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001314007925 1071743879 /nfs/dbraw/zinc/74/38/79/1071743879.db2.gz JXYMQMNOZFQKCW-NFBKMPQASA-N 1 1 468.646 3.944 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314020771 1071772787 /nfs/dbraw/zinc/77/27/87/1071772787.db2.gz YGLIAIOFQHODGQ-FQEVSTJZSA-N 1 1 475.037 3.997 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314025257 1071785582 /nfs/dbraw/zinc/78/55/82/1071785582.db2.gz LKDNTRDWUCEAEV-OALUTQOASA-N 1 1 490.599 3.546 20 0 JHADMO 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 1071784383 /nfs/dbraw/zinc/78/43/83/1071784383.db2.gz UCALYEOMCNCDTR-QHAWAJNXSA-N 1 1 490.693 3.596 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001314026259 1071788337 /nfs/dbraw/zinc/78/83/37/1071788337.db2.gz LTJHUBURHVVNOY-RTWAWAEBSA-N 1 1 456.635 3.945 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001314030468 1071801942 /nfs/dbraw/zinc/80/19/42/1071801942.db2.gz CSGDRXYGNAEKMO-LJQANCHMSA-N 1 1 490.555 3.523 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001314031516 1071806016 /nfs/dbraw/zinc/80/60/16/1071806016.db2.gz ZFRFKFGJEJJHSO-KSEOMHKRSA-N 1 1 484.645 3.787 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001314033302 1071812833 /nfs/dbraw/zinc/81/28/33/1071812833.db2.gz NOZZYMNEKMXTMU-QFIPXVFZSA-N 1 1 465.602 3.818 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001314032556 1071809890 /nfs/dbraw/zinc/80/98/90/1071809890.db2.gz BKYBFQWLIZYTFU-IEBWSBKVSA-N 1 1 460.648 3.626 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001314035218 1071821654 /nfs/dbraw/zinc/82/16/54/1071821654.db2.gz WGLMNUATDVFZMH-YLJYHZDGSA-N 1 1 461.010 3.655 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314038576 1071835551 /nfs/dbraw/zinc/83/55/51/1071835551.db2.gz RHANMBPFYMZZAH-XJUOHMSHSA-N 1 1 497.688 3.735 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001314037836 1071831985 /nfs/dbraw/zinc/83/19/85/1071831985.db2.gz OLPOPUSIRUPSFG-RBBKRZOGSA-N 1 1 456.635 3.712 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314055401 1071881730 /nfs/dbraw/zinc/88/17/30/1071881730.db2.gz VQKHKGVFRWMMGT-NRFANRHFSA-N 1 1 471.646 3.670 20 0 JHADMO CCO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)C)CC1)C1CCCC1 ZINC001314057062 1071886253 /nfs/dbraw/zinc/88/62/53/1071886253.db2.gz HAGXEGCORALMJD-QFIPXVFZSA-N 1 1 483.661 3.831 20 0 JHADMO 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 ZINC001314057821 1071887452 /nfs/dbraw/zinc/88/74/52/1071887452.db2.gz TVPVIJCPEDPAMX-CJTFWIGWSA-N 1 1 476.710 3.622 20 0 JHADMO CCO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001314060712 1071896364 /nfs/dbraw/zinc/89/63/64/1071896364.db2.gz QQPMEJIGIYZHEO-CEWLAPEOSA-N 1 1 474.675 3.625 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314084540 1071952042 /nfs/dbraw/zinc/95/20/42/1071952042.db2.gz BBXAMDDZMQPOTC-JPYJTQIMSA-N 1 1 462.664 3.534 20 0 JHADMO CCO[C@@]1(c2nnc(N(CC)Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314099390 1071981547 /nfs/dbraw/zinc/98/15/47/1071981547.db2.gz KGABBXUZSWQYPA-RLWLMLJZSA-N 1 1 455.647 3.997 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099914 1071983356 /nfs/dbraw/zinc/98/33/56/1071983356.db2.gz WARGUYDXNZXLMK-BERHBOFZSA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001314109539 1072002940 /nfs/dbraw/zinc/00/29/40/1072002940.db2.gz CMGMCFMQBGQQOW-DVECYGJZSA-N 1 1 476.691 3.747 20 0 JHADMO CCO[C@]1(c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001314142789 1072058233 /nfs/dbraw/zinc/05/82/33/1072058233.db2.gz UDBZVVIBMDHGTK-DHTSOJEISA-N 1 1 492.064 3.890 20 0 JHADMO CCc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305921790 1068217609 /nfs/dbraw/zinc/21/76/09/1068217609.db2.gz WCIYEZGJZCMPOS-XMMPIXPASA-N 1 1 478.641 3.988 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001305928494 1068226939 /nfs/dbraw/zinc/22/69/39/1068226939.db2.gz ICJANVIZRSJDFO-UHFFFAOYSA-N 1 1 452.647 3.687 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001305928580 1068227192 /nfs/dbraw/zinc/22/71/92/1068227192.db2.gz JFCYXXBUYVVWDH-PMACEKPBSA-N 1 1 456.704 3.864 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305928580 1068227198 /nfs/dbraw/zinc/22/71/98/1068227198.db2.gz JFCYXXBUYVVWDH-PMACEKPBSA-N 1 1 456.704 3.864 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305928580 1068227202 /nfs/dbraw/zinc/22/72/02/1068227202.db2.gz JFCYXXBUYVVWDH-PMACEKPBSA-N 1 1 456.704 3.864 20 0 JHADMO 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JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001305946942 1068262470 /nfs/dbraw/zinc/26/24/70/1068262470.db2.gz FLKKEMZZXDITPF-QHCPKHFHSA-N 1 1 468.646 3.906 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001305947166 1068263074 /nfs/dbraw/zinc/26/30/74/1068263074.db2.gz LWQIKLAGJBKXEG-QFIPXVFZSA-N 1 1 468.646 3.764 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305947588 1068265656 /nfs/dbraw/zinc/26/56/56/1068265656.db2.gz ICAIJLSDCBJOEE-IBGZPJMESA-N 1 1 464.580 3.924 20 0 JHADMO CCc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001305948432 1068269288 /nfs/dbraw/zinc/26/92/88/1068269288.db2.gz CTBAQEGCKWBUIN-ZJSXRUAMSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305948658 1068270040 /nfs/dbraw/zinc/27/00/40/1068270040.db2.gz XJFOBKSGPJNMSG-JOCHJYFZSA-N 1 1 494.606 3.549 20 0 JHADMO CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001305956861 1068284911 /nfs/dbraw/zinc/28/49/11/1068284911.db2.gz HLWAGEOBSTWZTA-DRLORSAXSA-N 1 1 480.701 3.976 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305977818 1068318311 /nfs/dbraw/zinc/31/83/11/1068318311.db2.gz GTDQMMFPZKDGGR-YADHBBJMSA-N 1 1 482.673 3.599 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H]2C)n1CCC[NH+]1CCN(CC)CC1 ZINC001305982733 1068328579 /nfs/dbraw/zinc/32/85/79/1068328579.db2.gz UXXGZQWSSZTPLH-FGZHOGPDSA-N 1 1 454.663 3.682 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](CC)OC ZINC001305984847 1068333286 /nfs/dbraw/zinc/33/32/86/1068333286.db2.gz DAIGERHLNLDTOR-OFNKIYASSA-N 1 1 471.646 3.534 20 0 JHADMO CCc1ccccc1OCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCSC(F)(F)F ZINC001305985622 1068336011 /nfs/dbraw/zinc/33/60/11/1068336011.db2.gz WWLOHUHWCIUXPH-HKUYNNGSSA-N 1 1 499.603 3.829 20 0 JHADMO 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JHADMO COc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2nccc(OC)c2c1 ZINC001311182012 1069292146 /nfs/dbraw/zinc/29/21/46/1069292146.db2.gz INWCOCPAXTWYMI-SBUREZEXSA-N 1 1 450.539 3.663 20 0 JHADMO COC(=O)c1cc(Oc2ccc(NC(=O)NCc3ccc(-n4cc[nH+]c4C)nc3)cc2)ccn1 ZINC001311199364 1069294725 /nfs/dbraw/zinc/29/47/25/1069294725.db2.gz DKBYLVHFTPWAPK-UHFFFAOYSA-N 1 1 458.478 3.871 20 0 JHADMO CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CC[N@H+]1CCOC ZINC001306615716 1069296169 /nfs/dbraw/zinc/29/61/69/1069296169.db2.gz HLSBDFKCVBLPSE-INIZCTEOSA-N 1 1 456.454 3.590 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C)n2CCc2coc(-c3ccc(C)cc3)n2)CC[N@H+]1CCOC ZINC001306618416 1069301191 /nfs/dbraw/zinc/30/11/91/1069301191.db2.gz VYJBLWPYOUHWSU-HSZRJFAPSA-N 1 1 452.603 3.730 20 0 JHADMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001311226821 1069302101 /nfs/dbraw/zinc/30/21/01/1069302101.db2.gz HVCIRMYFCUPUOD-OAQYLSRUSA-N 1 1 454.409 3.986 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001306619464 1069303330 /nfs/dbraw/zinc/30/33/30/1069303330.db2.gz BEZMDFMMCLLAOS-SIKLNZKXSA-N 1 1 467.593 3.615 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001306620915 1069307958 /nfs/dbraw/zinc/30/79/58/1069307958.db2.gz KVIZUJSKIJSXNQ-HXUWFJFHSA-N 1 1 456.541 3.604 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001306621268 1069308745 /nfs/dbraw/zinc/30/87/45/1069308745.db2.gz XMQGFANBRBMFRK-FQEVSTJZSA-N 1 1 494.478 3.806 20 0 JHADMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[NH+](C)C ZINC000012643792 562960768 /nfs/dbraw/zinc/96/07/68/562960768.db2.gz OCBACWWETMARQE-UQBPGWFLSA-N 1 1 493.629 3.868 20 0 JHADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164407954 718867058 /nfs/dbraw/zinc/86/70/58/718867058.db2.gz LIDZMKKIAQMQDF-UHFFFAOYSA-N 1 1 480.638 3.949 20 0 JHADMO 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CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1 ZINC001164697898 719835518 /nfs/dbraw/zinc/83/55/18/719835518.db2.gz ZLOVYTWSDPUIAO-ISKFKSNPSA-N 1 1 461.614 3.863 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164697900 719835686 /nfs/dbraw/zinc/83/56/86/719835686.db2.gz ZLOVYTWSDPUIAO-UPVQGACJSA-N 1 1 461.614 3.863 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001164708244 719867760 /nfs/dbraw/zinc/86/77/60/719867760.db2.gz ZAUZBRSRCRRQBY-DWXRJYCRSA-N 1 1 482.531 3.808 20 0 JHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001164708250 719867792 /nfs/dbraw/zinc/86/77/92/719867792.db2.gz ZAUZBRSRCRRQBY-WXTAPIANSA-N 1 1 482.531 3.808 20 0 JHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2sc(C)c(-c3ccccc3)c21 ZINC001164700008 719868867 /nfs/dbraw/zinc/86/88/67/719868867.db2.gz DJUNUDMGMLNYMZ-CLOONOSVSA-N 1 1 466.607 3.899 20 0 JHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc3c(c21)CCCCC3 ZINC001164705697 719869019 /nfs/dbraw/zinc/86/90/19/719869019.db2.gz NVFCHIKXZRKPCQ-BXKMTCNYSA-N 1 1 458.628 3.501 20 0 JHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccsc2)nc2ccccc21 ZINC001164704980 719869369 /nfs/dbraw/zinc/86/93/69/719869369.db2.gz MLUAGEYVGREHFB-UUOWRZLLSA-N 1 1 452.580 3.591 20 0 JHADMO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705900 719899106 /nfs/dbraw/zinc/89/91/06/719899106.db2.gz FMYRABPEHSXZJU-HXUWFJFHSA-N 1 1 476.952 3.868 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)c2c1C ZINC001164703518 719921540 /nfs/dbraw/zinc/92/15/40/719921540.db2.gz KDFMUFISLWNNCH-NJDAHSKKSA-N 1 1 499.681 3.547 20 0 JHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164712629 720093986 /nfs/dbraw/zinc/09/39/86/720093986.db2.gz XIZSZGOIFJLGTH-LJQANCHMSA-N 1 1 458.990 3.814 20 0 JHADMO 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CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164720825 720312780 /nfs/dbraw/zinc/31/27/80/720312780.db2.gz APPFMFPUGGSSOM-VWLOTQADSA-N 1 1 458.610 3.657 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@H](CC(=O)NC(C)C)[C@H]4C3)c2c1C ZINC001164827124 720422396 /nfs/dbraw/zinc/42/23/96/720422396.db2.gz RHBDTNUJKYBDDW-NJDAHSKKSA-N 1 1 485.698 3.908 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@H](CC(=O)NC(C)C)[C@@H]4C3)c2c1C ZINC001164827127 720422559 /nfs/dbraw/zinc/42/25/59/720422559.db2.gz RHBDTNUJKYBDDW-NJYVYQBISA-N 1 1 485.698 3.908 20 0 JHADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733433 720438253 /nfs/dbraw/zinc/43/82/53/720438253.db2.gz POZHHJXMXFYWOE-FGZHOGPDSA-N 1 1 490.677 3.651 20 0 JHADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164833887 720508629 /nfs/dbraw/zinc/50/86/29/720508629.db2.gz DSCRUHFJTKGGAJ-QHAWAJNXSA-N 1 1 487.608 3.634 20 0 JHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837937 720532386 /nfs/dbraw/zinc/53/23/86/720532386.db2.gz MRBXBGZGKVCSON-SVFBPWRDSA-N 1 1 480.638 3.956 20 0 JHADMO 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 720557198 /nfs/dbraw/zinc/55/71/98/720557198.db2.gz QHWKFEWRRGYYOQ-OKZBNKHCSA-N 1 1 467.948 3.641 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841490 720586995 /nfs/dbraw/zinc/58/69/95/720586995.db2.gz SIBOJECIBYXYOT-HRCADAONSA-N 1 1 459.372 3.989 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838334 720618429 /nfs/dbraw/zinc/61/84/29/720618429.db2.gz KTMUPTUWYFXEON-KYFSNAEOSA-N 1 1 472.943 3.510 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164843169 720622404 /nfs/dbraw/zinc/62/24/04/720622404.db2.gz XAWWLOAYAHVVGI-JXALWOEJSA-N 1 1 462.598 3.735 20 0 JHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c(OC)c1OC ZINC001164837320 720630866 /nfs/dbraw/zinc/63/08/66/720630866.db2.gz IAGHQDQJFPXDAW-MIZPHKNDSA-N 1 1 492.624 3.744 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842172 720632300 /nfs/dbraw/zinc/63/23/00/720632300.db2.gz UBCCNXTXRFZBJY-OKZBNKHCSA-N 1 1 477.947 3.904 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@@H]21 ZINC001164840980 720651249 /nfs/dbraw/zinc/65/12/49/720651249.db2.gz OMAWKUJHAONKGV-JYJNAYRXSA-N 1 1 482.004 3.945 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738095 720651710 /nfs/dbraw/zinc/65/17/10/720651710.db2.gz AFWBPFYAAHBEQH-KGLIPLIRSA-N 1 1 467.307 3.613 20 0 JHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738095 720651725 /nfs/dbraw/zinc/65/17/25/720651725.db2.gz AFWBPFYAAHBEQH-KGLIPLIRSA-N 1 1 467.307 3.613 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840978 720652841 /nfs/dbraw/zinc/65/28/41/720652841.db2.gz OMAWKUJHAONKGV-HRCADAONSA-N 1 1 482.004 3.945 20 0 JHADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738966 720662186 /nfs/dbraw/zinc/66/21/86/720662186.db2.gz LQRJLFGFLWYPFB-PKTZIBPZSA-N 1 1 450.546 3.943 20 0 JHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842271 720728012 /nfs/dbraw/zinc/72/80/12/720728012.db2.gz XDWXBZWPYNZVMC-PKOBYXMFSA-N 1 1 458.990 3.666 20 0 JHADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747817 720803264 /nfs/dbraw/zinc/80/32/64/720803264.db2.gz POOVEXHWXMXLBV-CABCVRRESA-N 1 1 459.337 3.708 20 0 JHADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@H]21)C1CCC1 ZINC001164851097 720803455 /nfs/dbraw/zinc/80/34/55/720803455.db2.gz XMROGNAAJPYGPD-HBMCJLEFSA-N 1 1 495.693 3.676 20 0 JHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164752789 720803910 /nfs/dbraw/zinc/80/39/10/720803910.db2.gz ZVJSGFXHNUIDLQ-PKOBYXMFSA-N 1 1 452.946 3.617 20 0 JHADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164741736 720806147 /nfs/dbraw/zinc/80/61/47/720806147.db2.gz BTXWYTGQFSKPRR-CABCVRRESA-N 1 1 476.890 3.613 20 0 JHADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164741736 720806150 /nfs/dbraw/zinc/80/61/50/720806150.db2.gz BTXWYTGQFSKPRR-CABCVRRESA-N 1 1 476.890 3.613 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2c1C ZINC001164850081 720813023 /nfs/dbraw/zinc/81/30/23/720813023.db2.gz ILIBGEIXARSODQ-NHCUHLMSSA-N 1 1 476.650 3.784 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)n1 ZINC001164855583 720813562 /nfs/dbraw/zinc/81/35/62/720813562.db2.gz XJKLIFMVMWORPE-RTWAWAEBSA-N 1 1 484.629 3.910 20 0 JHADMO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164740764 720819568 /nfs/dbraw/zinc/81/95/68/720819568.db2.gz LFLAUBNLAKKBLN-CMKODMSKSA-N 1 1 451.644 3.960 20 0 JHADMO Fc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1F ZINC001164742066 720824180 /nfs/dbraw/zinc/82/41/80/720824180.db2.gz PLJCMUUQXFIMER-AUSJPIAWSA-N 1 1 459.932 3.532 20 0 JHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc56)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738378 720826522 /nfs/dbraw/zinc/82/65/22/720826522.db2.gz FDKNJAAAPOTFAB-OHUGHZGNSA-N 1 1 454.582 3.596 20 0 JHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)C1 ZINC001164744462 720827447 /nfs/dbraw/zinc/82/74/47/720827447.db2.gz ULYNEUMJNLIHGQ-BOFXEDATSA-N 1 1 463.655 3.787 20 0 JHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742153 720828097 /nfs/dbraw/zinc/82/80/97/720828097.db2.gz PZAGTLHBKGOPBZ-XAUMDUMWSA-N 1 1 458.397 3.908 20 0 JHADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164748342 720843217 /nfs/dbraw/zinc/84/32/17/720843217.db2.gz UHSOUMIHDUFVHM-ISJGIBHGSA-N 1 1 481.604 3.696 20 0 JHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3c2c1 ZINC001164739457 720843513 /nfs/dbraw/zinc/84/35/13/720843513.db2.gz AHQCRKRFRSYVLN-PLMTUMEDSA-N 1 1 462.989 3.735 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@@H]2C1 ZINC001164851807 720848398 /nfs/dbraw/zinc/84/83/98/720848398.db2.gz HZNHKKYHGASQFB-CXAGYDPISA-N 1 1 461.340 3.655 20 0 JHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739416 720849250 /nfs/dbraw/zinc/84/92/50/720849250.db2.gz ADWHXJBIDGCDIJ-MBOZVWFJSA-N 1 1 463.964 3.523 20 0 JHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164740044 720851197 /nfs/dbraw/zinc/85/11/97/720851197.db2.gz BQVGXXZDTBCOLH-HMXCVIKNSA-N 1 1 467.980 3.907 20 0 JHADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164754046 720852269 /nfs/dbraw/zinc/85/22/69/720852269.db2.gz ZUIRTVOLXGFAFX-WRALFONMSA-N 1 1 459.598 3.513 20 0 JHADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753611 720852431 /nfs/dbraw/zinc/85/24/31/720852431.db2.gz YQGLYOBPWOCHBM-NNMXDRDESA-N 1 1 467.980 3.907 20 0 JHADMO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3)n2)c1 ZINC001164752653 720853254 /nfs/dbraw/zinc/85/32/54/720853254.db2.gz UADNCUYGXOAHLO-PWRODBHTSA-N 1 1 488.621 3.831 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745440 720856081 /nfs/dbraw/zinc/85/60/81/720856081.db2.gz DLSQLFUWVUUXRW-FKCDAAJZSA-N 1 1 487.652 3.664 20 0 JHADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2C)cc1 ZINC001164745435 720856114 /nfs/dbraw/zinc/85/61/14/720856114.db2.gz DLSQLFUWVUUXRW-CLCZQPDDSA-N 1 1 487.652 3.664 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164752028 720859262 /nfs/dbraw/zinc/85/92/62/720859262.db2.gz SPHJCBCRYOYLCF-XQBPLPMBSA-N 1 1 496.015 3.902 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164856084 720865636 /nfs/dbraw/zinc/86/56/36/720865636.db2.gz OKWNIYFMGFFPBQ-VGOFRKELSA-N 1 1 491.991 3.891 20 0 JHADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCCCC1 ZINC001164754567 720872915 /nfs/dbraw/zinc/87/29/15/720872915.db2.gz SAWSUXVDIDEMCD-ABYGYWHVSA-N 1 1 489.664 3.858 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164862174 720875916 /nfs/dbraw/zinc/87/59/16/720875916.db2.gz RATHQOHYXSLMAW-RBBKRZOGSA-N 1 1 499.725 3.730 20 0 JHADMO CC(C)(C)OC(=O)Nc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748496 720877745 /nfs/dbraw/zinc/87/77/45/720877745.db2.gz FPCUHEWZMFSJHV-WXVAWEFUSA-N 1 1 494.640 3.974 20 0 JHADMO COc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164752274 720877952 /nfs/dbraw/zinc/87/79/52/720877952.db2.gz MLBSWWHYLHLEGJ-DFHRPNOPSA-N 1 1 489.620 3.797 20 0 JHADMO Clc1nc2cccnc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748535 720879159 /nfs/dbraw/zinc/87/91/59/720879159.db2.gz FSHKZDXFUSTMBY-NLFFAJNJSA-N 1 1 465.001 3.828 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(COC)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164855384 720882931 /nfs/dbraw/zinc/88/29/31/720882931.db2.gz HBVNFHZXIHOJLR-CTNGQTDRSA-N 1 1 468.623 3.678 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC[C@@H]2C1 ZINC001164852926 720888922 /nfs/dbraw/zinc/88/89/22/720888922.db2.gz AMEVOHYXIMBRJB-BEFAXECRSA-N 1 1 453.370 3.749 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc(OC)c4)nnc3Cl)CC[C@H]2C1 ZINC001164855561 720891625 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Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164905899 721558681 /nfs/dbraw/zinc/55/86/81/721558681.db2.gz HXRGBDUUSSXIGD-UNMCSNQZSA-N 1 1 462.525 3.786 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164809434 721560129 /nfs/dbraw/zinc/56/01/29/721560129.db2.gz XHSVAOBRRYXCJU-ISJGIBHGSA-N 1 1 454.578 3.743 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164803993 721560944 /nfs/dbraw/zinc/56/09/44/721560944.db2.gz KMIIVMWJKSDYFW-SBHAEUEKSA-N 1 1 458.006 3.527 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164803993 721560946 /nfs/dbraw/zinc/56/09/46/721560946.db2.gz KMIIVMWJKSDYFW-SBHAEUEKSA-N 1 1 458.006 3.527 20 0 JHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC[N@H+]3C2)c1 ZINC001164903180 721568444 /nfs/dbraw/zinc/56/84/44/721568444.db2.gz BILKSODRZMXTCJ-HIFRSBDPSA-N 1 1 469.920 3.852 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809398 721572363 /nfs/dbraw/zinc/57/23/63/721572363.db2.gz WWWSNVRAXQZJCM-KHYOSLBOSA-N 1 1 458.340 3.678 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809398 721572365 /nfs/dbraw/zinc/57/23/65/721572365.db2.gz WWWSNVRAXQZJCM-KHYOSLBOSA-N 1 1 458.340 3.678 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164808678 721573977 /nfs/dbraw/zinc/57/39/77/721573977.db2.gz VHIAESUAZWHBQH-HSALFYBXSA-N 1 1 480.943 3.720 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164808678 721573978 /nfs/dbraw/zinc/57/39/78/721573978.db2.gz VHIAESUAZWHBQH-HSALFYBXSA-N 1 1 480.943 3.720 20 0 JHADMO COC(=O)c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164908440 721587562 /nfs/dbraw/zinc/58/75/62/721587562.db2.gz ZGKUFVRRWVOVOD-HSZRJFAPSA-N 1 1 453.493 3.549 20 0 JHADMO Cc1cccc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@@H]3C2=O)n1 ZINC001164798766 721602483 /nfs/dbraw/zinc/60/24/83/721602483.db2.gz IEWLUPPXQPUNJA-XCZPVHLTSA-N 1 1 497.643 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1 ZINC001165013212 721754192 /nfs/dbraw/zinc/75/41/92/721754192.db2.gz KHNQKZVRACVDQJ-QUMGSSFMSA-N 1 1 477.653 3.614 20 0 JHADMO C(O[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2COC[C@H]12)C1CC1 ZINC001165016900 721763299 /nfs/dbraw/zinc/76/32/99/721763299.db2.gz YRRUMRXSUOWFGP-ZCNNSNEGSA-N 1 1 454.640 3.796 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164911687 721766623 /nfs/dbraw/zinc/76/66/23/721766623.db2.gz QYIGNRVXYFFIKO-UHFFFAOYSA-N 1 1 496.967 3.866 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164911687 721766626 /nfs/dbraw/zinc/76/66/26/721766626.db2.gz QYIGNRVXYFFIKO-UHFFFAOYSA-N 1 1 496.967 3.866 20 0 JHADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913635 721778629 /nfs/dbraw/zinc/77/86/29/721778629.db2.gz YWPBCLFGYPFXDG-NDEPHWFRSA-N 1 1 467.573 3.800 20 0 JHADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913635 721778633 /nfs/dbraw/zinc/77/86/33/721778633.db2.gz YWPBCLFGYPFXDG-NDEPHWFRSA-N 1 1 467.573 3.800 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CN(c6cccnc6)C(=O)[C@H]5C4)c23)C1 ZINC001165023669 721792057 /nfs/dbraw/zinc/79/20/57/721792057.db2.gz QLYOYJCVQCOGRV-OPYAIIAOSA-N 1 1 488.661 3.906 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164913263 721797527 /nfs/dbraw/zinc/79/75/27/721797527.db2.gz CJOHUHCIOIJQRZ-LJAQVGFWSA-N 1 1 497.599 3.808 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164913263 721797529 /nfs/dbraw/zinc/79/75/29/721797529.db2.gz CJOHUHCIOIJQRZ-LJAQVGFWSA-N 1 1 497.599 3.808 20 0 JHADMO 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C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]21 ZINC001165026408 721820360 /nfs/dbraw/zinc/82/03/60/721820360.db2.gz PUVIOSUBPBPLNQ-CTUHWIOQSA-N 1 1 493.633 3.804 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@@H]21 ZINC001165026410 721820466 /nfs/dbraw/zinc/82/04/66/721820466.db2.gz PUVIOSUBPBPLNQ-WDJPJFJCSA-N 1 1 493.633 3.804 20 0 JHADMO CN(C)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165025061 721829961 /nfs/dbraw/zinc/82/99/61/721829961.db2.gz LINDCNRKWBYDIR-JQHSSLGASA-N 1 1 450.965 3.873 20 0 JHADMO 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 721832294 /nfs/dbraw/zinc/83/22/94/721832294.db2.gz USUMUDVWRXAVFC-ATZDWAIDSA-N 1 1 485.000 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928326 721833854 /nfs/dbraw/zinc/83/38/54/721833854.db2.gz XOCINEADVBCGIT-NOZRDPDXSA-N 1 1 471.671 3.501 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(C[C@@H](N(C)c5ncccn5)CO4)C3)c2c1C ZINC001164926829 721836539 /nfs/dbraw/zinc/83/65/39/721836539.db2.gz SOEYEQVQFVSUSJ-IBVKSMDESA-N 1 1 493.681 3.958 20 0 JHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)cc-2n1 ZINC001164939745 721926168 /nfs/dbraw/zinc/92/61/68/721926168.db2.gz MJOPGFKBSHFAOY-UHFFFAOYSA-N 1 1 464.566 3.538 20 0 JHADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]21 ZINC001164949608 721956434 /nfs/dbraw/zinc/95/64/34/721956434.db2.gz VAVTZVUFZKPQKJ-RTWAWAEBSA-N 1 1 482.654 3.598 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1 ZINC001164949617 721956523 /nfs/dbraw/zinc/95/65/23/721956523.db2.gz VBUBVXROIJBOMC-SFTDATJTSA-N 1 1 484.670 3.844 20 0 JHADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164946945 721994930 /nfs/dbraw/zinc/99/49/30/721994930.db2.gz BEUJHPGLBUFWSQ-QJMRKGMQSA-N 1 1 456.656 3.901 20 0 JHADMO 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CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001306626198 1069321040 /nfs/dbraw/zinc/32/10/40/1069321040.db2.gz FIRCUUFFNXWKEJ-NJDAHSKKSA-N 1 1 491.627 3.899 20 0 JHADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306626646 1069322414 /nfs/dbraw/zinc/32/24/14/1069322414.db2.gz JAQCNSHXUBUTPC-CUNXSJBXSA-N 1 1 487.664 3.886 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC[N@H+]1CCOC ZINC001306626775 1069322851 /nfs/dbraw/zinc/32/28/51/1069322851.db2.gz LMUKPWRTHHCBFO-XMMPIXPASA-N 1 1 469.674 3.810 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccc(-c3ccsc3)nc2)CC[N@H+]1CCOC ZINC001306627879 1069325099 /nfs/dbraw/zinc/32/50/99/1069325099.db2.gz VZFYVZZKRILIKN-OAQYLSRUSA-N 1 1 454.644 3.949 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cnc(C)s2)CC[N@H+]1CCOC ZINC001306628435 1069326647 /nfs/dbraw/zinc/32/66/47/1069326647.db2.gz JNVMCXWKNYLYTA-LJQANCHMSA-N 1 1 460.673 3.681 20 0 JHADMO 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CC[C@H](CNC(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001311397636 1069361186 /nfs/dbraw/zinc/36/11/86/1069361186.db2.gz VLTCMGSFBUZTSI-DRLORSAXSA-N 1 1 456.631 3.912 20 0 JHADMO 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 1069362641 /nfs/dbraw/zinc/36/26/41/1069362641.db2.gz UHHOYRHTYNAIRU-VQHPVUNQSA-N 1 1 450.546 3.594 20 0 JHADMO CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001306657031 1069369889 /nfs/dbraw/zinc/36/98/89/1069369889.db2.gz XFIQSKNPRXHPPB-RCZVLFRGSA-N 1 1 496.700 3.989 20 0 JHADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429890 1069375912 /nfs/dbraw/zinc/37/59/12/1069375912.db2.gz DYPHQJPANDDCIR-HYBUGGRVSA-N 1 1 457.640 3.991 20 0 JHADMO CO[C@@H](C)c1nc(CN2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC001311430238 1069376397 /nfs/dbraw/zinc/37/63/97/1069376397.db2.gz JHDXRXOMQUFRDQ-PMACEKPBSA-N 1 1 451.681 3.722 20 0 JHADMO 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CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001306679310 1069404971 /nfs/dbraw/zinc/40/49/71/1069404971.db2.gz QTFLLRBXHGIXGK-JOCHJYFZSA-N 1 1 488.702 3.564 20 0 JHADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001306680103 1069406403 /nfs/dbraw/zinc/40/64/03/1069406403.db2.gz OZEODKYDRSLREF-OAQYLSRUSA-N 1 1 461.614 3.960 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)CC1 ZINC001306680366 1069407164 /nfs/dbraw/zinc/40/71/64/1069407164.db2.gz NOJMMBYFQRWYOT-UHFFFAOYSA-N 1 1 474.694 3.548 20 0 JHADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC001311499506 1069408293 /nfs/dbraw/zinc/40/82/93/1069408293.db2.gz YHDNTXWVLFTFET-QHCPKHFHSA-N 1 1 450.627 3.825 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001306680867 1069407653 /nfs/dbraw/zinc/40/76/53/1069407653.db2.gz PRXJGVMHXZALPJ-QHCPKHFHSA-N 1 1 487.714 3.891 20 0 JHADMO 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C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001311511768 1069417147 /nfs/dbraw/zinc/41/71/47/1069417147.db2.gz SXDGCUFVLJGHIP-YUVXSKOASA-N 1 1 459.631 3.641 20 0 JHADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001311511768 1069417149 /nfs/dbraw/zinc/41/71/49/1069417149.db2.gz SXDGCUFVLJGHIP-YUVXSKOASA-N 1 1 459.631 3.641 20 0 JHADMO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311509388 1069415129 /nfs/dbraw/zinc/41/51/29/1069415129.db2.gz VACUDMMHFBOTFM-DNQXCXABSA-N 1 1 457.663 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001306683934 1069418859 /nfs/dbraw/zinc/41/88/59/1069418859.db2.gz GGJOFNSYRNNDEA-OAQYLSRUSA-N 1 1 476.000 3.781 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001306686129 1069421952 /nfs/dbraw/zinc/42/19/52/1069421952.db2.gz RMHDVFKRIPIJRY-FQEVSTJZSA-N 1 1 478.682 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CCCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001306691833 1069429092 /nfs/dbraw/zinc/42/90/92/1069429092.db2.gz MRSYDFHNOPYYIU-UHFFFAOYSA-N 1 1 464.662 3.783 20 0 JHADMO CCCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001306691833 1069429101 /nfs/dbraw/zinc/42/91/01/1069429101.db2.gz MRSYDFHNOPYYIU-UHFFFAOYSA-N 1 1 464.662 3.783 20 0 JHADMO CCCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001306691833 1069429106 /nfs/dbraw/zinc/42/91/06/1069429106.db2.gz MRSYDFHNOPYYIU-UHFFFAOYSA-N 1 1 464.662 3.783 20 0 JHADMO COC(=O)c1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1OC ZINC001311540424 1069431379 /nfs/dbraw/zinc/43/13/79/1069431379.db2.gz DQXZFVYJIJPGIM-FRIKZZABSA-N 1 1 451.567 3.867 20 0 JHADMO CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001306702361 1069438042 /nfs/dbraw/zinc/43/80/42/1069438042.db2.gz HCRMKMJGSUZZSI-KRWDZBQOSA-N 1 1 478.435 3.675 20 0 JHADMO CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001306703122 1069439205 /nfs/dbraw/zinc/43/92/05/1069439205.db2.gz IUOYUULQZXDVIT-FQEVSTJZSA-N 1 1 489.462 3.559 20 0 JHADMO CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306714578 1069445612 /nfs/dbraw/zinc/44/56/12/1069445612.db2.gz NLWKJAVYPYODHD-UHFFFAOYSA-N 1 1 458.626 3.791 20 0 JHADMO CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001306714592 1069446286 /nfs/dbraw/zinc/44/62/86/1069446286.db2.gz OCBDRSSRGSPAIF-XLIONFOSSA-N 1 1 478.435 3.577 20 0 JHADMO C[NH+]1CCN([C@H](CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c2cccs2)CC1 ZINC001311572224 1069444081 /nfs/dbraw/zinc/44/40/81/1069444081.db2.gz QLTPGSNKSJKRPK-HZPDHXFCSA-N 1 1 455.411 3.776 20 0 JHADMO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Cl ZINC001311583468 1069450007 /nfs/dbraw/zinc/45/00/07/1069450007.db2.gz SSCVRPLUPOZCQD-YJYMSZOUSA-N 1 1 453.345 3.840 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)CC1 ZINC001306721739 1069458347 /nfs/dbraw/zinc/45/83/47/1069458347.db2.gz BPKHAJMQRIETII-GOSISDBHSA-N 1 1 450.052 3.822 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001306722251 1069459613 /nfs/dbraw/zinc/45/96/13/1069459613.db2.gz JKSJIYVBKBRICX-CTNGQTDRSA-N 1 1 477.650 3.781 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306722512 1069460915 /nfs/dbraw/zinc/46/09/15/1069460915.db2.gz IIKQHDNPTIJZSQ-YADHBBJMSA-N 1 1 458.651 3.568 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722725 1069460986 /nfs/dbraw/zinc/46/09/86/1069460986.db2.gz NDPSLMZCGVFSSS-RBZQAINGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722725 1069460991 /nfs/dbraw/zinc/46/09/91/1069460991.db2.gz NDPSLMZCGVFSSS-RBZQAINGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722725 1069460997 /nfs/dbraw/zinc/46/09/97/1069460997.db2.gz NDPSLMZCGVFSSS-RBZQAINGSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001306723203 1069462869 /nfs/dbraw/zinc/46/28/69/1069462869.db2.gz OVRCJFMRTCVPLO-PZJWPPBQSA-N 1 1 463.630 3.848 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306723520 1069463396 /nfs/dbraw/zinc/46/33/96/1069463396.db2.gz SXCZFRCKQAMFJP-HXUWFJFHSA-N 1 1 474.053 3.740 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001306723686 1069463982 /nfs/dbraw/zinc/46/39/82/1069463982.db2.gz ULCZJWZGVULVRQ-HRTMPFAESA-N 1 1 455.651 3.811 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724687 1069465826 /nfs/dbraw/zinc/46/58/26/1069465826.db2.gz ZCARKZYVXGQUPT-MJGOQNOKSA-N 1 1 483.082 3.517 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001306725776 1069467227 /nfs/dbraw/zinc/46/72/27/1069467227.db2.gz HHSYLJPGTOHVDS-XMMPIXPASA-N 1 1 481.689 3.613 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001306725976 1069467669 /nfs/dbraw/zinc/46/76/69/1069467669.db2.gz IPVWDCFSPVUAFV-OAQYLSRUSA-N 1 1 458.626 3.969 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC001306726096 1069467887 /nfs/dbraw/zinc/46/78/87/1069467887.db2.gz KCZIJZDCMJTAFE-GXRSIYKFSA-N 1 1 497.775 3.945 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001306726000 1069467908 /nfs/dbraw/zinc/46/79/08/1069467908.db2.gz JBUIGSCEVZUTAV-GCJKJVERSA-N 1 1 490.599 3.790 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001306727340 1069472204 /nfs/dbraw/zinc/47/22/04/1069472204.db2.gz PUDBENZMJAZEIW-YADHBBJMSA-N 1 1 490.693 3.884 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306727559 1069472855 /nfs/dbraw/zinc/47/28/55/1069472855.db2.gz DVRYJEHELYBCTN-DEOSSOPVSA-N 1 1 482.673 3.996 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306728100 1069473707 /nfs/dbraw/zinc/47/37/07/1069473707.db2.gz SLFXIGZHBIKGGD-UXHICEINSA-N 1 1 466.552 3.686 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306727929 1069473759 /nfs/dbraw/zinc/47/37/59/1069473759.db2.gz SHRSJLXREVJMLM-ACRUOGEOSA-N 1 1 476.666 3.540 20 0 JHADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001311625416 1069474888 /nfs/dbraw/zinc/47/48/88/1069474888.db2.gz PJAYAMCJWXPAOK-NRFANRHFSA-N 1 1 459.388 3.627 20 0 JHADMO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)N2CCOCC2)cc1 ZINC001311638361 1069483930 /nfs/dbraw/zinc/48/39/30/1069483930.db2.gz YIALLRDLQQUVJI-AOHZBQACSA-N 1 1 456.656 3.812 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001306731111 1069485025 /nfs/dbraw/zinc/48/50/25/1069485025.db2.gz PIDHWGDQBZXAPV-PMACEKPBSA-N 1 1 474.675 3.539 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306731623 1069486984 /nfs/dbraw/zinc/48/69/84/1069486984.db2.gz RVAFJECFQHKHSW-GPJHCHHRSA-N 1 1 477.694 3.908 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306732169 1069488715 /nfs/dbraw/zinc/48/87/15/1069488715.db2.gz VFIKMQQPRFTXON-DEOSSOPVSA-N 1 1 482.673 3.879 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001306733401 1069492189 /nfs/dbraw/zinc/49/21/89/1069492189.db2.gz XRYMNBOYDLSBHQ-QHCPKHFHSA-N 1 1 481.693 3.781 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001306733471 1069493328 /nfs/dbraw/zinc/49/33/28/1069493328.db2.gz YUYWMAVZMGAPNY-DEOSSOPVSA-N 1 1 482.673 3.797 20 0 JHADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC001311664026 1069493453 /nfs/dbraw/zinc/49/34/53/1069493453.db2.gz HIXFCRGXWSFAOZ-YKSBVNFPSA-N 1 1 456.631 3.990 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306733631 1069493873 /nfs/dbraw/zinc/49/38/73/1069493873.db2.gz LBPRSJQYJVXRQJ-GMAHTHKFSA-N 1 1 488.721 3.643 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001306733762 1069495047 /nfs/dbraw/zinc/49/50/47/1069495047.db2.gz ZRHUXLJTOUBUKO-FPOVZHCZSA-N 1 1 488.702 3.785 20 0 JHADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668349 1069496269 /nfs/dbraw/zinc/49/62/69/1069496269.db2.gz XTNCMRMHHLQKQY-OFNKIYASSA-N 1 1 453.631 3.948 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H](c4cncn4C(C)(C)C)C3)c2)CCO1 ZINC001311668349 1069496272 /nfs/dbraw/zinc/49/62/72/1069496272.db2.gz XTNCMRMHHLQKQY-OFNKIYASSA-N 1 1 453.631 3.948 20 0 JHADMO Cc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001311693736 1069506754 /nfs/dbraw/zinc/50/67/54/1069506754.db2.gz NCKJTXUHWREXOC-QFBILLFUSA-N 1 1 454.453 3.718 20 0 JHADMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001311701492 1069510225 /nfs/dbraw/zinc/51/02/25/1069510225.db2.gz WLBQAZJOJOXYMS-XXBNENTESA-N 1 1 455.672 3.752 20 0 JHADMO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001311695880 1069507951 /nfs/dbraw/zinc/50/79/51/1069507951.db2.gz GMKNMFINCDMCIU-OALUTQOASA-N 1 1 457.562 3.633 20 0 JHADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001306737979 1069508242 /nfs/dbraw/zinc/50/82/42/1069508242.db2.gz XUEZIPSAKVXWFY-RTWAWAEBSA-N 1 1 469.678 3.916 20 0 JHADMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001311701492 1069510237 /nfs/dbraw/zinc/51/02/37/1069510237.db2.gz WLBQAZJOJOXYMS-XXBNENTESA-N 1 1 455.672 3.752 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306743542 1069522815 /nfs/dbraw/zinc/52/28/15/1069522815.db2.gz JSOXZCGIESRELL-DHIUTWEWSA-N 1 1 495.716 3.907 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)C2)cc(OC)c1 ZINC001311776501 1069541898 /nfs/dbraw/zinc/54/18/98/1069541898.db2.gz SFDONHYKGIELPS-OYDLWJJNSA-N 1 1 457.546 3.637 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)C2)cc(OC)c1 ZINC001311776501 1069541904 /nfs/dbraw/zinc/54/19/04/1069541904.db2.gz SFDONHYKGIELPS-OYDLWJJNSA-N 1 1 457.546 3.637 20 0 JHADMO C[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC001311791411 1069546469 /nfs/dbraw/zinc/54/64/69/1069546469.db2.gz JTIWNHDXUCYSGY-MSOLQXFVSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC001311791411 1069546483 /nfs/dbraw/zinc/54/64/83/1069546483.db2.gz JTIWNHDXUCYSGY-MSOLQXFVSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001311792295 1069547136 /nfs/dbraw/zinc/54/71/36/1069547136.db2.gz CDQBWZLKIPMHAW-AOIWGVFYSA-N 1 1 450.649 3.830 20 0 JHADMO C[C@@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001311792295 1069547143 /nfs/dbraw/zinc/54/71/43/1069547143.db2.gz CDQBWZLKIPMHAW-AOIWGVFYSA-N 1 1 450.649 3.830 20 0 JHADMO C[C@H](CNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC001311793995 1069547578 /nfs/dbraw/zinc/54/75/78/1069547578.db2.gz JGFBSLIHOQAWQW-QGZVFWFLSA-N 1 1 450.649 3.831 20 0 JHADMO C[C@H](CNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC001311793995 1069547587 /nfs/dbraw/zinc/54/75/87/1069547587.db2.gz JGFBSLIHOQAWQW-QGZVFWFLSA-N 1 1 450.649 3.831 20 0 JHADMO CCc1nc(CN2CCC(CNC(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)CC2)cs1 ZINC001311789811 1069545716 /nfs/dbraw/zinc/54/57/16/1069545716.db2.gz BCNQKYSRVMQBAT-LJQANCHMSA-N 1 1 455.672 3.664 20 0 JHADMO 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CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001307555056 1070049806 /nfs/dbraw/zinc/04/98/06/1070049806.db2.gz LSNOEEMTUQPKAQ-HXUWFJFHSA-N 1 1 452.530 3.908 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001312631091 1070053828 /nfs/dbraw/zinc/05/38/28/1070053828.db2.gz BYQCAIKSPNAEMZ-NRFANRHFSA-N 1 1 458.603 3.526 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001312631091 1070053841 /nfs/dbraw/zinc/05/38/41/1070053841.db2.gz BYQCAIKSPNAEMZ-NRFANRHFSA-N 1 1 458.603 3.526 20 0 JHADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC001312646805 1070060962 /nfs/dbraw/zinc/06/09/62/1070060962.db2.gz QGNVTOUNGZVHGX-LPHOPBHVSA-N 1 1 453.414 3.862 20 0 JHADMO CCOc1ccnc(N2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC2)n1 ZINC001307579106 1070062052 /nfs/dbraw/zinc/06/20/52/1070062052.db2.gz KHKYSXTYFAVMMI-SEJPIABJSA-N 1 1 459.635 3.956 20 0 JHADMO Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NC[C@H]4[N@@H+](C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647851 1070061492 /nfs/dbraw/zinc/06/14/92/1070061492.db2.gz HJLBDHKQYUWWJA-TZIWHRDSSA-N 1 1 454.619 3.554 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1 ZINC001307589346 1070068809 /nfs/dbraw/zinc/06/88/09/1070068809.db2.gz MZCVKGUZYLCELE-MSOLQXFVSA-N 1 1 451.596 3.894 20 0 JHADMO COc1ccc(NC(=O)c2nnc(CN3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1 ZINC001307589346 1070068824 /nfs/dbraw/zinc/06/88/24/1070068824.db2.gz MZCVKGUZYLCELE-MSOLQXFVSA-N 1 1 451.596 3.894 20 0 JHADMO CCOCc1ccccc1Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)nnc1C(C)(C)C ZINC001314291270 1070071003 /nfs/dbraw/zinc/07/10/03/1070071003.db2.gz GEKIZCVWBUNNJB-REWPJTCUSA-N 1 1 455.647 3.707 20 0 JHADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589426 1070068051 /nfs/dbraw/zinc/06/80/51/1070068051.db2.gz VITGVADQHHFEBE-LSDHHAIUSA-N 1 1 459.513 3.539 20 0 JHADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001307589426 1070068074 /nfs/dbraw/zinc/06/80/74/1070068074.db2.gz VITGVADQHHFEBE-LSDHHAIUSA-N 1 1 459.513 3.539 20 0 JHADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC001307597498 1070072268 /nfs/dbraw/zinc/07/22/68/1070072268.db2.gz JHHTTWPCIKYDAV-PIFVYSLYSA-N 1 1 452.595 3.948 20 0 JHADMO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC001312671777 1070073439 /nfs/dbraw/zinc/07/34/39/1070073439.db2.gz QMGSDHBECFXICW-KJDSRRNHSA-N 1 1 453.587 3.644 20 0 JHADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001307595333 1070071662 /nfs/dbraw/zinc/07/16/62/1070071662.db2.gz AYMBLXQDLHUOQW-FSSWDIPSSA-N 1 1 457.619 3.535 20 0 JHADMO CCOCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001314294251 1070076680 /nfs/dbraw/zinc/07/66/80/1070076680.db2.gz QYPJYQKSIYQKSO-JOCHJYFZSA-N 1 1 482.673 3.511 20 0 JHADMO CCOCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001314294251 1070076697 /nfs/dbraw/zinc/07/66/97/1070076697.db2.gz QYPJYQKSIYQKSO-JOCHJYFZSA-N 1 1 482.673 3.511 20 0 JHADMO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+]3CC[C@@H](C(C)(C)C)C3)C2=O)cc1 ZINC001307603007 1070077770 /nfs/dbraw/zinc/07/77/70/1070077770.db2.gz LOJFLCSHNWQIFW-SQVRNEIYSA-N 1 1 459.612 3.606 20 0 JHADMO CCOCc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001314299639 1070082755 /nfs/dbraw/zinc/08/27/55/1070082755.db2.gz VBDRZJQNDOBDKF-UHFFFAOYSA-N 1 1 489.045 3.663 20 0 JHADMO CCOCc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001314299639 1070082774 /nfs/dbraw/zinc/08/27/74/1070082774.db2.gz VBDRZJQNDOBDKF-UHFFFAOYSA-N 1 1 489.045 3.663 20 0 JHADMO CCOCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001314299792 1070083706 /nfs/dbraw/zinc/08/37/06/1070083706.db2.gz XHYPZXIGUNXRQQ-OAQYLSRUSA-N 1 1 454.619 3.523 20 0 JHADMO NC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)CCC2 ZINC001307622508 1070085258 /nfs/dbraw/zinc/08/52/58/1070085258.db2.gz QACZZIUTHSASQU-SFHVURJKSA-N 1 1 453.539 3.823 20 0 JHADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001307628747 1070088663 /nfs/dbraw/zinc/08/86/63/1070088663.db2.gz LPRKNZUMESWLBF-JTQLQIEISA-N 1 1 450.775 3.892 20 0 JHADMO 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 1070090912 /nfs/dbraw/zinc/09/09/12/1070090912.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 1 1 459.516 3.812 20 0 JHADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001307632232 1070090927 /nfs/dbraw/zinc/09/09/27/1070090927.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 1 1 459.516 3.812 20 0 JHADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001307632232 1070090942 /nfs/dbraw/zinc/09/09/42/1070090942.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 1 1 459.516 3.812 20 0 JHADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642127 1070097587 /nfs/dbraw/zinc/09/75/87/1070097587.db2.gz KPKOSDLUJWBVJN-WOJBJXKFSA-N 1 1 456.606 3.846 20 0 JHADMO CCOCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1CC ZINC001314311604 1070098349 /nfs/dbraw/zinc/09/83/49/1070098349.db2.gz ISKYSLULGVZMBP-SEDAZVQISA-N 1 1 457.667 3.894 20 0 JHADMO Cn1ncc(CCCNC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC001312743490 1070100072 /nfs/dbraw/zinc/10/00/72/1070100072.db2.gz WNFOOYYBPYHMCO-UHFFFAOYSA-N 1 1 459.019 3.657 20 0 JHADMO C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001312747213 1070101847 /nfs/dbraw/zinc/10/18/47/1070101847.db2.gz OLZISSMUUPJEOF-JXALWOEJSA-N 1 1 452.574 3.794 20 0 JHADMO C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001312747213 1070101854 /nfs/dbraw/zinc/10/18/54/1070101854.db2.gz OLZISSMUUPJEOF-JXALWOEJSA-N 1 1 452.574 3.794 20 0 JHADMO CCOCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320336 1070104688 /nfs/dbraw/zinc/10/46/88/1070104688.db2.gz CKKUJDHMFRGOJG-VQTJNVASSA-N 1 1 456.635 3.888 20 0 JHADMO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001307654255 1070105336 /nfs/dbraw/zinc/10/53/36/1070105336.db2.gz FWRMCNZCKWHJAJ-VXGBXAGGSA-N 1 1 456.182 3.762 20 0 JHADMO 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 1070106412 /nfs/dbraw/zinc/10/64/12/1070106412.db2.gz GRWIXLXPCMBOGY-ZZWZOVRCSA-N 1 1 453.627 3.936 20 0 JHADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758812 1070107704 /nfs/dbraw/zinc/10/77/04/1070107704.db2.gz ZZJQKRLKLCWNRT-NMMYMHLASA-N 1 1 452.574 3.794 20 0 JHADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC001312758812 1070107707 /nfs/dbraw/zinc/10/77/07/1070107707.db2.gz ZZJQKRLKLCWNRT-NMMYMHLASA-N 1 1 452.574 3.794 20 0 JHADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001307662920 1070109787 /nfs/dbraw/zinc/10/97/87/1070109787.db2.gz NJTQMEMNYVRZTC-UYRXBGFRSA-N 1 1 451.386 3.518 20 0 JHADMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@@H]1Cc1ccccc1 ZINC001312765411 1070111470 /nfs/dbraw/zinc/11/14/70/1070111470.db2.gz MQTGSDWTEBDSTB-YADHBBJMSA-N 1 1 456.631 3.877 20 0 JHADMO C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C[C@@H]1Cc1ccccc1 ZINC001312765411 1070111475 /nfs/dbraw/zinc/11/14/75/1070111475.db2.gz MQTGSDWTEBDSTB-YADHBBJMSA-N 1 1 456.631 3.877 20 0 JHADMO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001307667370 1070112811 /nfs/dbraw/zinc/11/28/11/1070112811.db2.gz SLZANJAADRMROZ-NRFANRHFSA-N 1 1 459.637 3.817 20 0 JHADMO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001307667370 1070112815 /nfs/dbraw/zinc/11/28/15/1070112815.db2.gz SLZANJAADRMROZ-NRFANRHFSA-N 1 1 459.637 3.817 20 0 JHADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC001307679384 1070121302 /nfs/dbraw/zinc/12/13/02/1070121302.db2.gz MDMQSKDAQIWZOJ-HXUWFJFHSA-N 1 1 457.372 3.822 20 0 JHADMO CCOCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314330503 1070121541 /nfs/dbraw/zinc/12/15/41/1070121541.db2.gz AOSOEDGRBBOUGL-NRFANRHFSA-N 1 1 474.694 3.744 20 0 JHADMO C[C@H](C[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Oc1ccc(Cl)c(Cl)c1 ZINC001307681769 1070123016 /nfs/dbraw/zinc/12/30/16/1070123016.db2.gz YNPCXGQXIKSXRU-GFCCVEGCSA-N 1 1 454.310 3.770 20 0 JHADMO C[C@H](C[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Oc1ccc(Cl)c(Cl)c1 ZINC001307681769 1070123024 /nfs/dbraw/zinc/12/30/24/1070123024.db2.gz YNPCXGQXIKSXRU-GFCCVEGCSA-N 1 1 454.310 3.770 20 0 JHADMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1OC ZINC001307691958 1070129120 /nfs/dbraw/zinc/12/91/20/1070129120.db2.gz DGYHZAYDABDONK-CTNGQTDRSA-N 1 1 450.583 3.813 20 0 JHADMO 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CCCn1nc(-c2nnc(N(C)CC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2c1=O ZINC001313452484 1070382778 /nfs/dbraw/zinc/38/27/78/1070382778.db2.gz ITFWOWJDWXVYDT-OAQYLSRUSA-N 1 1 495.672 3.514 20 0 JHADMO CCCn1nc(-c2nnc(N(C)CCC(C)C)n2CCn2cc[nH+]c2C)c2ccccc2c1=O ZINC001313454150 1070388257 /nfs/dbraw/zinc/38/82/57/1070388257.db2.gz CTZFEMUJHLLPAN-UHFFFAOYSA-N 1 1 462.602 3.752 20 0 JHADMO CCn1c(Br)c(Br)nc1C[NH2+][C@H]1COc2c(F)cc(F)cc2C1 ZINC001308548890 1070388751 /nfs/dbraw/zinc/38/87/51/1070388751.db2.gz LVSOHAVVZTYGMI-SNVBAGLBSA-N 1 1 451.109 3.800 20 0 JHADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cnn1C ZINC001308567247 1070391701 /nfs/dbraw/zinc/39/17/01/1070391701.db2.gz SADHOSUBVCRKCC-VWNXMTODSA-N 1 1 455.647 3.618 20 0 JHADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cnn1C ZINC001308567247 1070391715 /nfs/dbraw/zinc/39/17/15/1070391715.db2.gz SADHOSUBVCRKCC-VWNXMTODSA-N 1 1 455.647 3.618 20 0 JHADMO 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/nfs/dbraw/zinc/95/94/59/1070959459.db2.gz IUWWMEMAHGVBHK-DYVFJYSZSA-N 1 1 458.809 3.686 20 0 JHADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314741069 1070978458 /nfs/dbraw/zinc/97/84/58/1070978458.db2.gz AWCSUFUSQVABAE-GOSISDBHSA-N 1 1 467.536 3.548 20 0 JHADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314741069 1070978464 /nfs/dbraw/zinc/97/84/64/1070978464.db2.gz AWCSUFUSQVABAE-GOSISDBHSA-N 1 1 467.536 3.548 20 0 JHADMO CC(C)c1[nH+]ccn1CCNS(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309879487 1071003900 /nfs/dbraw/zinc/00/39/00/1071003900.db2.gz XSTZMQNYVVFEEH-UHFFFAOYSA-N 1 1 451.184 3.510 20 0 JHADMO CN(C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1)C1CCOCC1 ZINC001309974902 1071034538 /nfs/dbraw/zinc/03/45/38/1071034538.db2.gz FZTUGWBEPGPQJJ-DEOSSOPVSA-N 1 1 450.583 3.724 20 0 JHADMO CN(C(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1)C1CCOCC1 ZINC001309974903 1071034738 /nfs/dbraw/zinc/03/47/38/1071034738.db2.gz FZTUGWBEPGPQJJ-XMMPIXPASA-N 1 1 450.583 3.724 20 0 JHADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(I)cc2C)[C@@H](C)C1 ZINC001309977806 1071036104 /nfs/dbraw/zinc/03/61/04/1071036104.db2.gz HNMRRCCQIXHIGR-MAUKXSAKSA-N 1 1 459.372 3.858 20 0 JHADMO CN(Cc1cscn1)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001314771859 1071037694 /nfs/dbraw/zinc/03/76/94/1071037694.db2.gz RYTZIXKACFIWGV-LJQANCHMSA-N 1 1 491.459 3.647 20 0 JHADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313728834 1071040750 /nfs/dbraw/zinc/04/07/50/1071040750.db2.gz XABLDIGSOYNGKP-UBFVSLLYSA-N 1 1 481.733 3.855 20 0 JHADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001309991674 1071041968 /nfs/dbraw/zinc/04/19/68/1071041968.db2.gz XKISDFCXZKDMSB-XXBNENTESA-N 1 1 456.612 3.850 20 0 JHADMO C[N@@H+](CCCNC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccccc1 ZINC001309997563 1071046893 /nfs/dbraw/zinc/04/68/93/1071046893.db2.gz OEYYKDWRIBAAMY-UHFFFAOYSA-N 1 1 458.628 3.895 20 0 JHADMO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313736465 1071058529 /nfs/dbraw/zinc/05/85/29/1071058529.db2.gz YWFQFDXOCJAMNG-UHFFFAOYSA-N 1 1 466.630 3.908 20 0 JHADMO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001313736465 1071058536 /nfs/dbraw/zinc/05/85/36/1071058536.db2.gz YWFQFDXOCJAMNG-UHFFFAOYSA-N 1 1 466.630 3.908 20 0 JHADMO CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001313736465 1071058544 /nfs/dbraw/zinc/05/85/44/1071058544.db2.gz YWFQFDXOCJAMNG-UHFFFAOYSA-N 1 1 466.630 3.908 20 0 JHADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001313738377 1071062332 /nfs/dbraw/zinc/06/23/32/1071062332.db2.gz KDENTLIIWAOHGD-IBGZPJMESA-N 1 1 484.645 3.682 20 0 JHADMO CCN(Cc1ccccc1C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313740499 1071065594 /nfs/dbraw/zinc/06/55/94/1071065594.db2.gz CNLGIPIUVHKJKJ-RUZDIDTESA-N 1 1 479.673 3.831 20 0 JHADMO 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CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCNC2=O)CC1)C(C)C ZINC001313808347 1071232950 /nfs/dbraw/zinc/23/29/50/1071232950.db2.gz FSOXZSFYVKAYAJ-UHFFFAOYSA-N 1 1 494.471 3.976 20 0 JHADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCOCC2(CCC2)C1)CCC(F)(F)F ZINC001313811007 1071243527 /nfs/dbraw/zinc/24/35/27/1071243527.db2.gz QJZLWTDLBZTSTN-UHFFFAOYSA-N 1 1 454.541 3.565 20 0 JHADMO CN(CCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)CC(F)(F)F ZINC001314858441 1071243831 /nfs/dbraw/zinc/24/38/31/1071243831.db2.gz HTMOXKBOFYPBKI-GOSISDBHSA-N 1 1 456.944 3.767 20 0 JHADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811149 1071244746 /nfs/dbraw/zinc/24/47/46/1071244746.db2.gz ZUGADKLHPCVVMY-MJGOQNOKSA-N 1 1 471.524 3.505 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)CCC(F)(F)F ZINC001313812803 1071252262 /nfs/dbraw/zinc/25/22/62/1071252262.db2.gz BZVZQBSWERDGTB-RTBURBONSA-N 1 1 489.583 3.568 20 0 JHADMO 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JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCCOC)C1 ZINC001313896385 1071499365 /nfs/dbraw/zinc/49/93/65/1071499365.db2.gz ONQUIOPRHQAERO-PMACEKPBSA-N 1 1 492.462 3.742 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCCOC)C1 ZINC001313896387 1071499465 /nfs/dbraw/zinc/49/94/65/1071499465.db2.gz ONQUIOPRHQAERO-VQTJNVASSA-N 1 1 492.462 3.742 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001313897056 1071501275 /nfs/dbraw/zinc/50/12/75/1071501275.db2.gz UFMJVKLTPXPVPZ-PZJWPPBQSA-N 1 1 460.667 3.798 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001313895849 1071497906 /nfs/dbraw/zinc/49/79/06/1071497906.db2.gz KWCJSYWYBRVCRW-PSTIOWGYSA-N 1 1 473.046 3.852 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313898440 1071505756 /nfs/dbraw/zinc/50/57/56/1071505756.db2.gz CURJQNAPLNSHJY-LJQANCHMSA-N 1 1 472.037 3.580 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001313898828 1071505933 /nfs/dbraw/zinc/50/59/33/1071505933.db2.gz FRTOTKCFSTXZDN-OAQYLSRUSA-N 1 1 481.670 3.810 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001313900183 1071508848 /nfs/dbraw/zinc/50/88/48/1071508848.db2.gz MFNLLNOLBZZKPA-JOCHJYFZSA-N 1 1 455.647 3.950 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313899190 1071507092 /nfs/dbraw/zinc/50/70/92/1071507092.db2.gz GSOSBWDXEXCKMO-YFVAEKQCSA-N 1 1 481.563 3.712 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313902076 1071512274 /nfs/dbraw/zinc/51/22/74/1071512274.db2.gz DMWDWFJIJXIDLQ-QHCPKHFHSA-N 1 1 482.673 3.653 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313902111 1071512518 /nfs/dbraw/zinc/51/25/18/1071512518.db2.gz JKNQQAFTRGPPIJ-PMACEKPBSA-N 1 1 484.645 3.884 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001313902398 1071513087 /nfs/dbraw/zinc/51/30/87/1071513087.db2.gz XSTVZBUAGSJMIY-QGZVFWFLSA-N 1 1 459.392 3.740 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)c2cc(OC)cc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313903064 1071514785 /nfs/dbraw/zinc/51/47/85/1071514785.db2.gz BLVGQLVZXMPKON-CLOONOSVSA-N 1 1 473.618 3.588 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313903778 1071515834 /nfs/dbraw/zinc/51/58/34/1071515834.db2.gz RVJGTDVYVFNRLE-LJQANCHMSA-N 1 1 459.038 3.778 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313903953 1071516492 /nfs/dbraw/zinc/51/64/92/1071516492.db2.gz GFMUWOKIXCROSQ-VXKWHMMOSA-N 1 1 468.646 3.883 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001313904525 1071518522 /nfs/dbraw/zinc/51/85/22/1071518522.db2.gz IYSOVNBKOFTOTM-DMJCMNNJSA-N 1 1 489.064 3.908 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001313906638 1071525086 /nfs/dbraw/zinc/52/50/86/1071525086.db2.gz YDLCODMRUFCQEP-UGKGYDQZSA-N 1 1 459.038 3.778 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313906649 1071525220 /nfs/dbraw/zinc/52/52/20/1071525220.db2.gz YHAXPMMYBHPHBM-AZUAARDMSA-N 1 1 457.619 3.840 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001313905032 1071520729 /nfs/dbraw/zinc/52/07/29/1071520729.db2.gz SNFJLTVLOJBDJX-LJQANCHMSA-N 1 1 456.660 3.937 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001313905415 1071521521 /nfs/dbraw/zinc/52/15/21/1071521521.db2.gz XBVIPLALRBHYAT-RTWAWAEBSA-N 1 1 469.634 3.660 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001313905828 1071522792 /nfs/dbraw/zinc/52/27/92/1071522792.db2.gz XZAQSRDCYLIDIH-SFHVURJKSA-N 1 1 456.392 3.618 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313907156 1071526581 /nfs/dbraw/zinc/52/65/81/1071526581.db2.gz YREPQKFAYWOOET-JTSKRJEESA-N 1 1 496.450 3.795 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313907247 1071527331 /nfs/dbraw/zinc/52/73/31/1071527331.db2.gz ZYEJFXLBGNALFA-STZQEDGTSA-N 1 1 489.064 3.597 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313907720 1071528917 /nfs/dbraw/zinc/52/89/17/1071528917.db2.gz JYFHMMNBUNLMFN-JOCHJYFZSA-N 1 1 467.662 3.578 20 0 JHADMO CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC[N@H+]2CC)cn1 ZINC001313908085 1071529470 /nfs/dbraw/zinc/52/94/70/1071529470.db2.gz LUDPHXHLGFLDIN-OAQYLSRUSA-N 1 1 467.618 3.690 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313909051 1071531578 /nfs/dbraw/zinc/53/15/78/1071531578.db2.gz MGBATELWVQUWKP-VXKWHMMOSA-N 1 1 483.661 3.632 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001313909166 1071531915 /nfs/dbraw/zinc/53/19/15/1071531915.db2.gz BTPCAARXOSOUAP-HXUWFJFHSA-N 1 1 458.626 3.825 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001313910040 1071533705 /nfs/dbraw/zinc/53/37/05/1071533705.db2.gz UNFZZMQZIKRWPC-NHCUHLMSSA-N 1 1 491.727 3.945 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313911812 1071538334 /nfs/dbraw/zinc/53/83/34/1071538334.db2.gz RGHAIEIOCFOEAI-DWLFOUALSA-N 1 1 483.661 3.872 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313911933 1071538917 /nfs/dbraw/zinc/53/89/17/1071538917.db2.gz STFWQTIFVINMJV-TYPHKJRUSA-N 1 1 469.634 3.564 20 0 JHADMO 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 1071540154 /nfs/dbraw/zinc/54/01/54/1071540154.db2.gz HPKWHOJSMQZIKV-ZSYWTGECSA-N 1 1 473.584 3.839 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914117 1071546044 /nfs/dbraw/zinc/54/60/44/1071546044.db2.gz RLLRUTDIPYFERA-VXKWHMMOSA-N 1 1 468.646 3.738 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313914366 1071546707 /nfs/dbraw/zinc/54/67/07/1071546707.db2.gz MSMUXGLMLNDWCQ-LVXARBLLSA-N 1 1 477.694 3.977 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001313913435 1071543497 /nfs/dbraw/zinc/54/34/97/1071543497.db2.gz PKLGOWVXJUOXSA-CBNMVNINSA-N 1 1 488.627 3.905 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC ZINC001313913507 1071543769 /nfs/dbraw/zinc/54/37/69/1071543769.db2.gz PRMMRKURZNWRJO-SFTDATJTSA-N 1 1 478.682 3.740 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001313914807 1071548848 /nfs/dbraw/zinc/54/88/48/1071548848.db2.gz NZLHNTSJVYLADE-DNVJHFABSA-N 1 1 482.673 3.806 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001315025239 1071549200 /nfs/dbraw/zinc/54/92/00/1071549200.db2.gz ZECXNZSLTCITPI-FQEVSTJZSA-N 1 1 454.663 3.740 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313915123 1071549785 /nfs/dbraw/zinc/54/97/85/1071549785.db2.gz PWCXTGJOZNYYOJ-RBBKRZOGSA-N 1 1 484.689 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001313915121 1071550049 /nfs/dbraw/zinc/55/00/49/1071550049.db2.gz PWCXTGJOZNYYOJ-IFMALSPDSA-N 1 1 484.689 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001313915582 1071550989 /nfs/dbraw/zinc/55/09/89/1071550989.db2.gz YIXWMINEGRHLEN-YPAWHYETSA-N 1 1 490.693 3.740 20 0 JHADMO CCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001313916395 1071552509 /nfs/dbraw/zinc/55/25/09/1071552509.db2.gz BNMBBJXSXZNGCA-UHFFFAOYSA-N 1 1 498.672 3.676 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916501 1071553077 /nfs/dbraw/zinc/55/30/77/1071553077.db2.gz YGJDZVCSDJBIHX-UGKGYDQZSA-N 1 1 473.584 3.972 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313919522 1071557650 /nfs/dbraw/zinc/55/76/50/1071557650.db2.gz CGCYCJWSBSOPOV-INIZCTEOSA-N 1 1 483.405 3.579 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313920695 1071559400 /nfs/dbraw/zinc/55/94/00/1071559400.db2.gz LORUHLZVPIILAB-QUCCMNQESA-N 1 1 494.656 3.904 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920479 1071558671 /nfs/dbraw/zinc/55/86/71/1071558671.db2.gz JKPDAXWYLVGNNS-GOSISDBHSA-N 1 1 489.462 3.509 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922364 1071564418 /nfs/dbraw/zinc/56/44/18/1071564418.db2.gz WGYHVTRWIDKAPJ-SFHVURJKSA-N 1 1 475.479 3.970 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3Cc3csc(C)c3)CC2)CC1 ZINC001313922405 1071564527 /nfs/dbraw/zinc/56/45/27/1071564527.db2.gz DOTKTBPRALFHJK-UHFFFAOYSA-N 1 1 472.703 3.764 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCCC4)n3CCCCSC)CC2)CC1 ZINC001313924160 1071569453 /nfs/dbraw/zinc/56/94/53/1071569453.db2.gz ZNXLBJQWUKSLSZ-UHFFFAOYSA-N 1 1 476.735 3.850 20 0 JHADMO CNC(=O)CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCn1cc[nH+]c1C ZINC001315036673 1071569639 /nfs/dbraw/zinc/56/96/39/1071569639.db2.gz NXEXAHUSMFLNQI-UHFFFAOYSA-N 1 1 469.659 3.833 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313924450 1071570845 /nfs/dbraw/zinc/57/08/45/1071570845.db2.gz GFSQFUZQBUXYDF-INIZCTEOSA-N 1 1 485.986 3.798 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926175 1071575549 /nfs/dbraw/zinc/57/55/49/1071575549.db2.gz ATPBUMWZHNISDD-DENIHFKCSA-N 1 1 475.081 3.833 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313925035 1071571984 /nfs/dbraw/zinc/57/19/84/1071571984.db2.gz LIWVEHDABAKMHH-NZQKXSOJSA-N 1 1 472.703 3.702 20 0 JHADMO CNC(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315043720 1071575717 /nfs/dbraw/zinc/57/57/17/1071575717.db2.gz TXZKCZZJTDUFBN-OYRHEFFESA-N 1 1 496.700 3.704 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313925369 1071573566 /nfs/dbraw/zinc/57/35/66/1071573566.db2.gz PDOATOWCVUBGEV-RBUKOAKNSA-N 1 1 471.650 3.807 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927355 1071579789 /nfs/dbraw/zinc/57/97/89/1071579789.db2.gz JWMVXVZLZFFGTI-FCHUYYIVSA-N 1 1 454.638 3.827 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927721 1071581361 /nfs/dbraw/zinc/58/13/61/1071581361.db2.gz JUAOKIBDSLSTOO-GMAHTHKFSA-N 1 1 461.658 3.914 20 0 JHADMO CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928383 1071583817 /nfs/dbraw/zinc/58/38/17/1071583817.db2.gz BNTSAHQPHIWFRM-UPVQGACJSA-N 1 1 498.716 3.801 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928619 1071584379 /nfs/dbraw/zinc/58/43/79/1071584379.db2.gz MKQVJPCXHBOPAH-SFHVURJKSA-N 1 1 460.617 3.734 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313928681 1071584604 /nfs/dbraw/zinc/58/46/04/1071584604.db2.gz CGQIAZKQEKUAPV-WOJBJXKFSA-N 1 1 467.593 3.985 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929010 1071585247 /nfs/dbraw/zinc/58/52/47/1071585247.db2.gz WZSSOVUIWGVIBK-SSGKUCQKSA-N 1 1 492.778 3.801 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930246 1071588866 /nfs/dbraw/zinc/58/88/66/1071588866.db2.gz AOVGJRGCJZBCAU-NQIIRXRSSA-N 1 1 492.510 3.697 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313930655 1071590279 /nfs/dbraw/zinc/59/02/79/1071590279.db2.gz NSMTYNSKCUNEHL-SJORKVTESA-N 1 1 498.441 3.677 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001313930929 1071590849 /nfs/dbraw/zinc/59/08/49/1071590849.db2.gz OHIDDHAUIJVCPS-RBUKOAKNSA-N 1 1 467.593 3.597 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001313931543 1071592490 /nfs/dbraw/zinc/59/24/90/1071592490.db2.gz FHAKINOCVKETTQ-NTKDMRAZSA-N 1 1 476.691 3.672 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313931518 1071592773 /nfs/dbraw/zinc/59/27/73/1071592773.db2.gz FBRFWJNAFJCXQH-SFHVURJKSA-N 1 1 481.670 3.776 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313931515 1071592793 /nfs/dbraw/zinc/59/27/93/1071592793.db2.gz FBRFWJNAFJCXQH-GOSISDBHSA-N 1 1 481.670 3.776 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313931705 1071593152 /nfs/dbraw/zinc/59/31/52/1071593152.db2.gz SKZIWDOBHMKDRL-IFMALSPDSA-N 1 1 482.673 3.824 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001313931885 1071593386 /nfs/dbraw/zinc/59/33/86/1071593386.db2.gz SRFKFUCSHCMOJW-MSOLQXFVSA-N 1 1 464.680 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313931914 1071594085 /nfs/dbraw/zinc/59/40/85/1071594085.db2.gz SWFZXSOZXGLORX-RTBURBONSA-N 1 1 477.650 4.000 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)C[C@@H]1C ZINC001313932360 1071594762 /nfs/dbraw/zinc/59/47/62/1071594762.db2.gz VDSDHDKCPWLKPS-SFHVURJKSA-N 1 1 457.022 3.892 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)C[C@H]1C ZINC001313932359 1071594799 /nfs/dbraw/zinc/59/47/99/1071594799.db2.gz VDSDHDKCPWLKPS-GOSISDBHSA-N 1 1 457.022 3.892 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313932279 1071595001 /nfs/dbraw/zinc/59/50/01/1071595001.db2.gz HUUIMPOSDRZXEH-JTSKRJEESA-N 1 1 481.483 3.764 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001313933714 1071599329 /nfs/dbraw/zinc/59/93/29/1071599329.db2.gz QCBSPKUUUXRBGK-IERDGZPVSA-N 1 1 450.425 3.707 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@@H]1C ZINC001313933819 1071599626 /nfs/dbraw/zinc/59/96/26/1071599626.db2.gz LYCMOLZJDDYXCN-SFHVURJKSA-N 1 1 465.577 3.573 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccnc2OC)C[C@@H]1C ZINC001313933943 1071600502 /nfs/dbraw/zinc/60/05/02/1071600502.db2.gz PKCLWKWRYVDLEE-INIZCTEOSA-N 1 1 458.513 3.529 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934206 1071601155 /nfs/dbraw/zinc/60/11/55/1071601155.db2.gz QNJWAUQIKHSZAV-MSOLQXFVSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313934103 1071601212 /nfs/dbraw/zinc/60/12/12/1071601212.db2.gz SEUMSVQMJNRNRG-ZWKOTPCHSA-N 1 1 458.676 3.577 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934210 1071601855 /nfs/dbraw/zinc/60/18/55/1071601855.db2.gz QNJWAUQIKHSZAV-ROUUACIJSA-N 1 1 478.483 3.831 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC=CCO2)C[C@H]1C ZINC001313934318 1071602391 /nfs/dbraw/zinc/60/23/91/1071602391.db2.gz UCCGHAUZBOJYKM-AEFFLSMTSA-N 1 1 476.419 3.592 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934987 1071604300 /nfs/dbraw/zinc/60/43/00/1071604300.db2.gz UKJKECHEHKZOTF-RDPSFJRHSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C[C@@H]1C ZINC001313937031 1071609672 /nfs/dbraw/zinc/60/96/72/1071609672.db2.gz JZOUYGQMQWJWFO-OALUTQOASA-N 1 1 464.655 3.553 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(O)(CC)CC)C[C@H]1C ZINC001313935867 1071607271 /nfs/dbraw/zinc/60/72/71/1071607271.db2.gz JYDVBFTZMZSYLS-MRXNPFEDSA-N 1 1 480.451 3.798 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@@H]1C ZINC001313936316 1071607937 /nfs/dbraw/zinc/60/79/37/1071607937.db2.gz DFNIYBFMYKCOKC-RBUKOAKNSA-N 1 1 458.607 3.564 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313936460 1071608526 /nfs/dbraw/zinc/60/85/26/1071608526.db2.gz OFIWTGDCGISHCC-QYZOEREBSA-N 1 1 457.619 3.696 20 0 JHADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313936635 1071609073 /nfs/dbraw/zinc/60/90/73/1071609073.db2.gz HDNBRPKPZSPFBL-YPAWHYETSA-N 1 1 491.725 3.653 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2Br)C[C@H]1C ZINC001313940835 1071615424 /nfs/dbraw/zinc/61/54/24/1071615424.db2.gz PHFOJMKARSTKBK-OAHLLOKOSA-N 1 1 475.460 3.975 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCC(F)F)C[C@@H]1C ZINC001313939288 1071613315 /nfs/dbraw/zinc/61/33/15/1071613315.db2.gz QEYXQNSDNHLYOL-KRWDZBQOSA-N 1 1 472.540 3.571 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613967 /nfs/dbraw/zinc/61/39/67/1071613967.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 1 1 452.672 3.981 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613971 /nfs/dbraw/zinc/61/39/71/1071613971.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 1 1 452.672 3.981 20 0 JHADMO CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](CC)CC)C[C@H]1C ZINC001313940328 1071615041 /nfs/dbraw/zinc/61/50/41/1071615041.db2.gz VWAPOYUKCMTORL-DENIHFKCSA-N 1 1 455.676 3.959 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCSC2)C[C@@H]1C ZINC001313941187 1071616267 /nfs/dbraw/zinc/61/62/67/1071616267.db2.gz AHVKQQVNRTZVGT-DLBZAZTESA-N 1 1 480.476 3.903 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2Cl)C[C@@H]1C ZINC001313941306 1071617137 /nfs/dbraw/zinc/61/71/37/1071617137.db2.gz BDYICUVZIIYRLX-KRWDZBQOSA-N 1 1 473.046 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC001313941470 1071617443 /nfs/dbraw/zinc/61/74/43/1071617443.db2.gz UYECWKPWGUJSES-INIZCTEOSA-N 1 1 451.541 3.677 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313941881 1071618267 /nfs/dbraw/zinc/61/82/67/1071618267.db2.gz YMTNYEJSWOXSJN-FQEVSTJZSA-N 1 1 469.655 3.843 20 0 JHADMO 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 1071620310 /nfs/dbraw/zinc/62/03/10/1071620310.db2.gz INXYKFCMTOJDEG-QRQLOZEOSA-N 1 1 474.675 3.997 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313945744 1071627399 /nfs/dbraw/zinc/62/73/99/1071627399.db2.gz KDOFVGLRDGWFNT-LJQANCHMSA-N 1 1 492.615 3.868 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313946569 1071629079 /nfs/dbraw/zinc/62/90/79/1071629079.db2.gz BLFUUDQTJPNXOW-LADGPHEKSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001313947504 1071632329 /nfs/dbraw/zinc/63/23/29/1071632329.db2.gz HVMSQDXDZXONNM-SLFFLAALSA-N 1 1 459.660 3.925 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C[C@H]1C ZINC001313948951 1071635197 /nfs/dbraw/zinc/63/51/97/1071635197.db2.gz MPQMZPMSVVZKTD-WPWBMXPQSA-N 1 1 457.619 3.744 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949205 1071635853 /nfs/dbraw/zinc/63/58/53/1071635853.db2.gz KMAORILTWOZAJC-QFIPXVFZSA-N 1 1 474.694 3.613 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001313949433 1071636322 /nfs/dbraw/zinc/63/63/22/1071636322.db2.gz ILURVCJPLDEUFJ-SFHVURJKSA-N 1 1 481.472 3.752 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313949671 1071636822 /nfs/dbraw/zinc/63/68/22/1071636822.db2.gz NRKCOVFGENWZNC-PKTZIBPZSA-N 1 1 489.108 3.800 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001313950373 1071637994 /nfs/dbraw/zinc/63/79/94/1071637994.db2.gz VHILZQYLIQKFRK-UCNVEGJOSA-N 1 1 472.609 3.505 20 0 JHADMO 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 1071641210 /nfs/dbraw/zinc/64/12/10/1071641210.db2.gz ZSSSYCFASAMUTR-MKXGPGLRSA-N 1 1 489.690 3.839 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313952068 1071644553 /nfs/dbraw/zinc/64/45/53/1071644553.db2.gz XOZVHAONHULWJP-LJQANCHMSA-N 1 1 492.590 3.926 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C2CCC2)CC1 ZINC001313950871 1071640052 /nfs/dbraw/zinc/64/00/52/1071640052.db2.gz RFEKKXHVKAURLS-SFHVURJKSA-N 1 1 475.479 3.970 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N3CCN(c4ccccc4F)C[C@@H]3C)nnc2C(C)(C)C)CC1 ZINC001313953476 1071649049 /nfs/dbraw/zinc/64/90/49/1071649049.db2.gz GKNRYGABKMCUQI-QFIPXVFZSA-N 1 1 485.696 3.848 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001313954340 1071651184 /nfs/dbraw/zinc/65/11/84/1071651184.db2.gz OFECGRIDGJUHLG-UEXGIBASSA-N 1 1 498.569 3.514 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CC2CCCCC2)CC1 ZINC001313955192 1071653029 /nfs/dbraw/zinc/65/30/29/1071653029.db2.gz QHTTXFFXBGJLFM-NRFANRHFSA-N 1 1 453.679 3.939 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955455 1071655455 /nfs/dbraw/zinc/65/54/55/1071655455.db2.gz HQIVOTQIJXFYHF-YGWXTMFKSA-N 1 1 477.072 3.980 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957954 1071662418 /nfs/dbraw/zinc/66/24/18/1071662418.db2.gz SRTWGGXVOZBXKH-LVXARBLLSA-N 1 1 488.746 3.845 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(OC)cc3C2)CC1 ZINC001313957967 1071662433 /nfs/dbraw/zinc/66/24/33/1071662433.db2.gz SXDJOCFFCVTINS-NRFANRHFSA-N 1 1 468.690 3.712 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956156 1071657451 /nfs/dbraw/zinc/65/74/51/1071657451.db2.gz BJCNAKLOJRCAQS-OAQYLSRUSA-N 1 1 480.579 3.601 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956768 1071658086 /nfs/dbraw/zinc/65/80/86/1071658086.db2.gz KUMVMHCDUUCMNW-RTWAWAEBSA-N 1 1 458.626 3.536 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313957082 1071659531 /nfs/dbraw/zinc/65/95/31/1071659531.db2.gz CLZZIUYQGKSHFB-UHFFFAOYSA-N 1 1 460.001 3.730 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957116 1071659572 /nfs/dbraw/zinc/65/95/72/1071659572.db2.gz PUJCAOIDSJIPHD-OAQYLSRUSA-N 1 1 494.606 3.855 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313957429 1071660733 /nfs/dbraw/zinc/66/07/33/1071660733.db2.gz GMLKKMSOHHGJBY-UHFFFAOYSA-N 1 1 467.687 3.670 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313957781 1071661252 /nfs/dbraw/zinc/66/12/52/1071661252.db2.gz ILZIZTOJYSRDCE-UHFFFAOYSA-N 1 1 462.067 3.663 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313959119 1071665849 /nfs/dbraw/zinc/66/58/49/1071665849.db2.gz ZSVVSOOOENOLRC-NRFANRHFSA-N 1 1 452.672 3.840 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313959822 1071667985 /nfs/dbraw/zinc/66/79/85/1071667985.db2.gz BFMVJQVVQCAFRZ-FQEVSTJZSA-N 1 1 475.081 3.554 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001313960169 1071669158 /nfs/dbraw/zinc/66/91/58/1071669158.db2.gz FGSWDSUEYIATQY-OAQYLSRUSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960541 1071669898 /nfs/dbraw/zinc/66/98/98/1071669898.db2.gz KLYVRGDVCFNBNB-VWNXMTODSA-N 1 1 484.689 3.678 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313961075 1071671757 /nfs/dbraw/zinc/67/17/57/1071671757.db2.gz QASWWXHUXPWXRX-VXKWHMMOSA-N 1 1 470.662 3.518 20 0 JHADMO CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001313978710 1071712663 /nfs/dbraw/zinc/71/26/63/1071712663.db2.gz PZRDYBLMAISCFP-UHFFFAOYSA-N 1 1 470.637 3.625 20 0 JHADMO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001313981650 1071718493 /nfs/dbraw/zinc/71/84/93/1071718493.db2.gz HCICAAOTBYQSAX-RTBURBONSA-N 1 1 466.655 3.647 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001314014994 1071756359 /nfs/dbraw/zinc/75/63/59/1071756359.db2.gz ZPBMZUJMEFGUHG-UHFFFAOYSA-N 1 1 463.026 3.996 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001314023107 1071778037 /nfs/dbraw/zinc/77/80/37/1071778037.db2.gz PXVMAEYREXSDPP-QFIPXVFZSA-N 1 1 468.646 3.606 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314023761 1071780213 /nfs/dbraw/zinc/78/02/13/1071780213.db2.gz IHPXCWJRUWHYPP-YADHBBJMSA-N 1 1 498.672 3.818 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001314025090 1071784983 /nfs/dbraw/zinc/78/49/83/1071784983.db2.gz WFEPFLAQDODHDS-HXUWFJFHSA-N 1 1 472.659 3.642 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001314038926 1071836325 /nfs/dbraw/zinc/83/63/25/1071836325.db2.gz ZEWOPMGNOPELSA-ZCNNSNEGSA-N 1 1 488.608 3.756 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314048300 1071868087 /nfs/dbraw/zinc/86/80/87/1071868087.db2.gz KRZJSVKNKLJLDL-HDICACEKSA-N 1 1 450.027 3.959 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314048300 1071868097 /nfs/dbraw/zinc/86/80/97/1071868097.db2.gz KRZJSVKNKLJLDL-HDICACEKSA-N 1 1 450.027 3.959 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001314050504 1071871756 /nfs/dbraw/zinc/87/17/56/1071871756.db2.gz PCQGAGSUXKJTIP-UHFFFAOYSA-N 1 1 482.629 3.962 20 0 JHADMO CCOC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001314050504 1071871765 /nfs/dbraw/zinc/87/17/65/1071871765.db2.gz PCQGAGSUXKJTIP-UHFFFAOYSA-N 1 1 482.629 3.962 20 0 JHADMO 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 ZINC001314057820 1071887362 /nfs/dbraw/zinc/88/73/62/1071887362.db2.gz TVPVIJCPEDPAMX-CBJLPSGESA-N 1 1 476.710 3.622 20 0 JHADMO CCO[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001314070355 1071920324 /nfs/dbraw/zinc/92/03/24/1071920324.db2.gz OBSWXMQFHBNYAL-IMSXRSKXSA-N 1 1 464.614 3.663 20 0 JHADMO CCO[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001314070355 1071920333 /nfs/dbraw/zinc/92/03/33/1071920333.db2.gz OBSWXMQFHBNYAL-IMSXRSKXSA-N 1 1 464.614 3.663 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)C3CCC(C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314079406 1071938568 /nfs/dbraw/zinc/93/85/68/1071938568.db2.gz JHUSBGJYBQZDJT-ZRSXKSFDSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)C3CCC(C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314079406 1071938574 /nfs/dbraw/zinc/93/85/74/1071938574.db2.gz JHUSBGJYBQZDJT-ZRSXKSFDSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001314081285 1071943578 /nfs/dbraw/zinc/94/35/78/1071943578.db2.gz XHJMBWSPUXLVNE-KOSHJBKYSA-N 1 1 461.557 3.668 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001314083736 1071949916 /nfs/dbraw/zinc/94/99/16/1071949916.db2.gz SNWAWCANESBKGD-NLFFAJNJSA-N 1 1 459.610 3.826 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001314091863 1071969080 /nfs/dbraw/zinc/96/90/80/1071969080.db2.gz HLQNHWNJAWWANR-HOFKKMOUSA-N 1 1 484.689 3.623 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093936 1071971949 /nfs/dbraw/zinc/97/19/49/1071971949.db2.gz INYQRRXYGXTTSI-YGKZAACZSA-N 1 1 466.001 3.690 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099916 1071983288 /nfs/dbraw/zinc/98/32/88/1071983288.db2.gz WARGUYDXNZXLMK-VHSZZVNMSA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC=C(c4ccc(O)cc4)CC3)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001314104101 1071991698 /nfs/dbraw/zinc/99/16/98/1071991698.db2.gz HAIWXTAPRSFBPI-FNZWTVRRSA-N 1 1 469.630 3.660 20 0 JHADMO CCO[C@]1(c2nnc(N3CCc4c(F)cc(F)cc4C3)n2CC[N@@H+](C)[C@H](C)CC)CCOC1 ZINC001314123403 1072027920 /nfs/dbraw/zinc/02/79/20/1072027920.db2.gz RSSBONWNBJLCFP-MZNJEOGPSA-N 1 1 463.573 3.501 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccc(OCC(C)C)c2)CCOC1 ZINC001314127079 1072037081 /nfs/dbraw/zinc/03/70/81/1072037081.db2.gz UGBIATXREIOMRX-MHZLTWQESA-N 1 1 485.673 3.934 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001314134956 1072047193 /nfs/dbraw/zinc/04/71/93/1072047193.db2.gz JTOOLNYUUWRLIQ-YWZLYKJASA-N 1 1 473.565 3.589 20 0 JHADMO CCO[C@]1(c2nnc(N3CCO[C@H](c4ccccc4Cl)C3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001314144167 1072060580 /nfs/dbraw/zinc/06/05/80/1072060580.db2.gz BVGRSTJZNYLQLJ-WIOPSUGQSA-N 1 1 492.064 3.892 20 0 JHADMO CCc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305921674 1068217663 /nfs/dbraw/zinc/21/76/63/1068217663.db2.gz ZPXQZFOUJVZIBK-RPWUZVMVSA-N 1 1 487.714 3.890 20 0 JHADMO CCc1ccc(-c2nnc(N(CCOC)[C@@H]3CC[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001305925852 1068221553 /nfs/dbraw/zinc/22/15/53/1068221553.db2.gz FGBUSTALDZGDIF-PQNGQFLHSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305926171 1068222101 /nfs/dbraw/zinc/22/21/01/1068222101.db2.gz XGKVJLWZJIMXRR-RCZVLFRGSA-N 1 1 468.690 3.786 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928876 1068228580 /nfs/dbraw/zinc/22/85/80/1068228580.db2.gz MBZCPSSEPKWTSA-RTWAWAEBSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[C@H](C(=O)OC)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001305929657 1068228944 /nfs/dbraw/zinc/22/89/44/1068228944.db2.gz BJURIGZJFHQYJJ-GMAHTHKFSA-N 1 1 453.631 3.875 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001305939074 1068246183 /nfs/dbraw/zinc/24/61/83/1068246183.db2.gz FMIHKNWWXRFINX-UNMCSNQZSA-N 1 1 452.647 3.720 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001305939458 1068246665 /nfs/dbraw/zinc/24/66/65/1068246665.db2.gz AATQVJYHLAZULE-HSZRJFAPSA-N 1 1 473.687 3.785 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001305946955 1068262333 /nfs/dbraw/zinc/26/23/33/1068262333.db2.gz FYMXVUUTJLILJJ-UXHICEINSA-N 1 1 452.647 3.685 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001305946982 1068263134 /nfs/dbraw/zinc/26/31/34/1068263134.db2.gz GRSKUFWVHBXXCI-UHFFFAOYSA-N 1 1 452.647 3.831 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305948265 1068268238 /nfs/dbraw/zinc/26/82/38/1068268238.db2.gz ZKSSIGKUBKVSCV-NRFANRHFSA-N 1 1 452.647 3.688 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@](C)(O)CCOC)cc1 ZINC001305948369 1068268734 /nfs/dbraw/zinc/26/87/34/1068268734.db2.gz UEZMHZYDWBVBFX-RUZDIDTESA-N 1 1 469.655 3.679 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2Cc2ccc(OC)nc2)cc1 ZINC001305948510 1068269443 /nfs/dbraw/zinc/26/94/43/1068269443.db2.gz AGYURJHBBVANSB-HSZRJFAPSA-N 1 1 464.614 3.506 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001305949269 1068271627 /nfs/dbraw/zinc/27/16/27/1068271627.db2.gz HAPRXBBXIGJBAX-ZJSXRUAMSA-N 1 1 455.647 3.871 20 0 JHADMO CCc1nc(CCn2c(-c3ccc(CC)cc3)nnc2N2CC[NH+](CCOC)CC2)cs1 ZINC001305949743 1068272153 /nfs/dbraw/zinc/27/21/53/1068272153.db2.gz LNCWVOPKPMYVNZ-UHFFFAOYSA-N 1 1 454.644 3.538 20 0 JHADMO CCc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CC[N@H+](CC)CCC(F)(F)F)cc1 ZINC001305950270 1068273284 /nfs/dbraw/zinc/27/32/84/1068273284.db2.gz JIULRWHHJNOJSN-QHCPKHFHSA-N 1 1 481.563 3.778 20 0 JHADMO CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001305950740 1068274178 /nfs/dbraw/zinc/27/41/78/1068274178.db2.gz RGLKCUDFDGVWNW-DNQXCXABSA-N 1 1 455.647 3.727 20 0 JHADMO CCc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001305966441 1068299527 /nfs/dbraw/zinc/29/95/27/1068299527.db2.gz STYBHVCJZNUKAS-LJQANCHMSA-N 1 1 461.676 3.639 20 0 JHADMO CCc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CCOC)CC2)s1 ZINC001305966866 1068300865 /nfs/dbraw/zinc/30/08/65/1068300865.db2.gz 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JVJPVXLDXZXLOD-IZVMNLJQSA-N 1 1 482.673 3.502 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305988286 1068344124 /nfs/dbraw/zinc/34/41/24/1068344124.db2.gz ZTZRSWMYUKGJEJ-MOPGFXCFSA-N 1 1 494.606 3.975 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305988288 1068344248 /nfs/dbraw/zinc/34/42/48/1068344248.db2.gz ZTZRSWMYUKGJEJ-RBUKOAKNSA-N 1 1 494.606 3.975 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@H]1CCCSC1 ZINC001305989718 1068348310 /nfs/dbraw/zinc/34/83/10/1068348310.db2.gz RXNYSSXNJDVFBM-LEWJYISDSA-N 1 1 473.687 3.720 20 0 JHADMO CCc1ccccc1OCc1nnc(N2CCS[C@@H](CC)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305991108 1068352250 /nfs/dbraw/zinc/35/22/50/1068352250.db2.gz WQQNSTXACKEGIR-UNMCSNQZSA-N 1 1 473.687 3.720 20 0 JHADMO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001306005567 1068383505 /nfs/dbraw/zinc/38/35/05/1068383505.db2.gz 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c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC3)C2)c1 ZINC001164697579 719894757 /nfs/dbraw/zinc/89/47/57/719894757.db2.gz LNCBJOGPBKXNON-UHFFFAOYSA-N 1 1 491.665 3.857 20 0 JHADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC3)C2)c1 ZINC001164697579 719894758 /nfs/dbraw/zinc/89/47/58/719894758.db2.gz LNCBJOGPBKXNON-UHFFFAOYSA-N 1 1 491.665 3.857 20 0 JHADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164804643 720059804 /nfs/dbraw/zinc/05/98/04/720059804.db2.gz MJBJLOOLDLCKJR-CRICUBBOSA-N 1 1 480.638 3.652 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805898 720090949 /nfs/dbraw/zinc/09/09/49/720090949.db2.gz AMTLWNMCRDCACG-BUXKBTBVSA-N 1 1 457.793 3.565 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164805900 720091601 /nfs/dbraw/zinc/09/16/01/720091601.db2.gz AMTLWNMCRDCACG-HXPMCKFVSA-N 1 1 457.793 3.565 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164712726 720099175 /nfs/dbraw/zinc/09/91/75/720099175.db2.gz YNBQIVPDEQTWKC-VWLOTQADSA-N 1 1 485.632 3.914 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164712991 720100469 /nfs/dbraw/zinc/10/04/69/720100469.db2.gz ZQAFMQNXRMEAOQ-SANMLTNESA-N 1 1 498.675 3.937 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164715528 720106113 /nfs/dbraw/zinc/10/61/13/720106113.db2.gz HGOBCGLINLWYCO-GOSISDBHSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164719077 720118668 /nfs/dbraw/zinc/11/86/68/720118668.db2.gz VLNLZODXAUCMRB-OAQYLSRUSA-N 1 1 477.609 3.858 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164714315 720123436 /nfs/dbraw/zinc/12/34/36/720123436.db2.gz BXWZPJOTRYVHLI-IBGZPJMESA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164713590 720140884 /nfs/dbraw/zinc/14/08/84/720140884.db2.gz SIFHQABIYVMXMP-WIOPSUGQSA-N 1 1 477.653 3.856 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164711169 720146431 /nfs/dbraw/zinc/14/64/31/720146431.db2.gz FSENEPMOHKJEOM-MBSDFSHPSA-N 1 1 499.965 3.838 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164713540 720150102 /nfs/dbraw/zinc/15/01/02/720150102.db2.gz ROAHSZMXUKYVQA-OAQYLSRUSA-N 1 1 460.578 3.924 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164711617 720152119 /nfs/dbraw/zinc/15/21/19/720152119.db2.gz HJXQRWNCWJYDJG-DEOSSOPVSA-N 1 1 486.620 3.940 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164710837 720153809 /nfs/dbraw/zinc/15/38/09/720153809.db2.gz DNKJXROCIIYLPZ-SFHVURJKSA-N 1 1 480.991 3.643 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164812592 720195492 /nfs/dbraw/zinc/19/54/92/720195492.db2.gz LGQCXCNHFLSQBB-OXQOHEQNSA-N 1 1 458.937 3.557 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CCC2 ZINC001164813356 720212836 /nfs/dbraw/zinc/21/28/36/720212836.db2.gz OUELNEFHWQIRQJ-UHFFFAOYSA-N 1 1 462.932 3.635 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CCC2 ZINC001164814802 720218834 /nfs/dbraw/zinc/21/88/34/720218834.db2.gz ZKICBTGQSZCZEI-UHFFFAOYSA-N 1 1 462.932 3.635 20 0 JHADMO CSc1ccc(Oc2cc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)ncn2)cc1 ZINC001164813968 720232818 /nfs/dbraw/zinc/23/28/18/720232818.db2.gz SKMFHKBFRPASND-UHFFFAOYSA-N 1 1 466.611 3.798 20 0 JHADMO Cc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C2)n1)CCCC3 ZINC001164812156 720234816 /nfs/dbraw/zinc/23/48/16/720234816.db2.gz CCNHINOEEGZDQF-UHFFFAOYSA-N 1 1 452.628 3.686 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(SCc3ccccc3)n1)CCC2 ZINC001164815590 720242384 /nfs/dbraw/zinc/24/23/84/720242384.db2.gz CJIFFQGMNFYREW-UHFFFAOYSA-N 1 1 450.612 3.576 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc3c1CCC3)CCC2 ZINC001164818267 720247627 /nfs/dbraw/zinc/24/76/27/720247627.db2.gz XZQUIUFOWIIGKP-UHFFFAOYSA-N 1 1 451.949 3.576 20 0 JHADMO Clc1nc2c(c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)CC2 ZINC001164722686 720347797 /nfs/dbraw/zinc/34/77/97/720347797.db2.gz GLFQFSWEEWBGPY-RPWUZVMVSA-N 1 1 461.013 3.937 20 0 JHADMO O=S(=O)(c1ccccc1)n1c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc2c1ncnc2Cl ZINC001164734722 720425172 /nfs/dbraw/zinc/42/51/72/720425172.db2.gz TUWPSGUYPAOKCR-RTWAWAEBSA-N 1 1 495.008 3.570 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835791 720514100 /nfs/dbraw/zinc/51/41/00/720514100.db2.gz LKAXWUSRYVBTDB-JCTONOIOSA-N 1 1 450.631 3.718 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)CC[C@@H]21 ZINC001164835794 720514304 /nfs/dbraw/zinc/51/43/04/720514304.db2.gz LKAXWUSRYVBTDB-SSPYTLHUSA-N 1 1 450.631 3.718 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843049 720541622 /nfs/dbraw/zinc/54/16/22/720541622.db2.gz ZOVZBUZWBURSPX-IYWMVGAKSA-N 1 1 485.036 3.753 20 0 JHADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2N1C1CCCC1 ZINC001164833825 720543365 /nfs/dbraw/zinc/54/33/65/720543365.db2.gz BTGLEYRNJANZLB-WDWDUUAGSA-N 1 1 492.672 3.531 20 0 JHADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1OC ZINC001164840817 720549625 /nfs/dbraw/zinc/54/96/25/720549625.db2.gz UCHUYNBGBLUNCI-SQGPQFPESA-N 1 1 471.005 3.875 20 0 JHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)CC[C@@H]21 ZINC001164833734 720563216 /nfs/dbraw/zinc/56/32/16/720563216.db2.gz BILSZCHWLQFOKC-GIWBLDEGSA-N 1 1 474.588 3.588 20 0 JHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843133 720577232 /nfs/dbraw/zinc/57/72/32/720577232.db2.gz WSPYOTJEDPNNTK-SGIRGMQISA-N 1 1 475.641 3.590 20 0 JHADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164843168 720623543 /nfs/dbraw/zinc/62/35/43/720623543.db2.gz XAWWLOAYAHVVGI-DCLXLUIPSA-N 1 1 462.598 3.735 20 0 JHADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1Cl ZINC001164739325 720663079 /nfs/dbraw/zinc/66/30/79/720663079.db2.gz NALKTVPANNKYPO-RYUDHWBXSA-N 1 1 451.745 3.722 20 0 JHADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164739321 720663644 /nfs/dbraw/zinc/66/36/44/720663644.db2.gz NALKTVPANNKYPO-NEPJUHHUSA-N 1 1 451.745 3.722 20 0 JHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843382 720697707 /nfs/dbraw/zinc/69/77/07/720697707.db2.gz OZNPJKFKBJFWQZ-HSZRJFAPSA-N 1 1 458.610 3.865 20 0 JHADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839842 720714568 /nfs/dbraw/zinc/71/45/68/720714568.db2.gz NTRRJADNVAJATG-FYYLOGMGSA-N 1 1 486.682 3.808 20 0 JHADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)cn1 ZINC001164744657 720741864 /nfs/dbraw/zinc/74/18/64/720741864.db2.gz RWCUKYWDWUNWFV-NHCUHLMSSA-N 1 1 493.995 3.969 20 0 JHADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164740967 720784560 /nfs/dbraw/zinc/78/45/60/720784560.db2.gz LUCWGURPAPDUFD-DNQXCXABSA-N 1 1 450.546 3.943 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740733 720799537 /nfs/dbraw/zinc/79/95/37/720799537.db2.gz AHVJXEPGLYBQGR-IRXDYDNUSA-N 1 1 473.911 3.959 20 0 JHADMO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740733 720799547 /nfs/dbraw/zinc/79/95/47/720799547.db2.gz AHVJXEPGLYBQGR-IRXDYDNUSA-N 1 1 473.911 3.959 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)n1 ZINC001164852336 720812855 /nfs/dbraw/zinc/81/28/55/720812855.db2.gz NFERWXGEZQTDOU-UXHICEINSA-N 1 1 464.639 3.640 20 0 JHADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CN1Cc1ccncc1 ZINC001164854657 720812938 /nfs/dbraw/zinc/81/29/38/720812938.db2.gz VEAFLMCWQXYADM-PZJWPPBQSA-N 1 1 488.661 3.656 20 0 JHADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CN1Cc1ccncc1 ZINC001164856225 720812951 /nfs/dbraw/zinc/81/29/51/720812951.db2.gz ZPIJXNPSVAMBLP-CTNGQTDRSA-N 1 1 488.661 3.656 20 0 JHADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CN1Cc1ccncc1 ZINC001164856233 720812992 /nfs/dbraw/zinc/81/29/92/720812992.db2.gz ZPIJXNPSVAMBLP-TZIWHRDSSA-N 1 1 488.661 3.656 20 0 JHADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746208 720818409 /nfs/dbraw/zinc/81/84/09/720818409.db2.gz YHDOYRRJFGPTMF-YQQAZPJKSA-N 1 1 479.988 3.861 20 0 JHADMO 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Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765048 721199487 /nfs/dbraw/zinc/19/94/87/721199487.db2.gz HOGQIFCILUMWMR-NHCUHLMSSA-N 1 1 491.709 3.858 20 0 JHADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771466 721199560 /nfs/dbraw/zinc/19/95/60/721199560.db2.gz QFAHOUXGTOXODX-LEWJYISDSA-N 1 1 465.671 3.596 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764507 721242332 /nfs/dbraw/zinc/24/23/32/721242332.db2.gz OQFJZAYJQCQELY-ZWKOTPCHSA-N 1 1 454.962 3.623 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164763205 721242397 /nfs/dbraw/zinc/24/23/97/721242397.db2.gz MTJVZRMDGHWDHS-MSOLQXFVSA-N 1 1 454.962 3.623 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879751 721259015 /nfs/dbraw/zinc/25/90/15/721259015.db2.gz YNLKHLCHDKIAGB-IGKIAQTJSA-N 1 1 464.610 3.503 20 0 JHADMO 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Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164778713 721345378 /nfs/dbraw/zinc/34/53/78/721345378.db2.gz OAGCDGQFCZYJCQ-DEOSSOPVSA-N 1 1 468.989 3.916 20 0 JHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780030 721351614 /nfs/dbraw/zinc/35/16/14/721351614.db2.gz YONNRZAKTFSFRP-RUZDIDTESA-N 1 1 499.999 3.794 20 0 JHADMO COC(=O)C[C@H](c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1)C1CC1 ZINC001164781308 721364417 /nfs/dbraw/zinc/36/44/17/721364417.db2.gz ISAXMUCNQBKOJD-WNCULLNHSA-N 1 1 482.625 3.862 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCC(=O)N4c3cccc(F)c3)c2c1C ZINC001164884574 721366506 /nfs/dbraw/zinc/36/65/06/721366506.db2.gz VOQYBGHKXFGMBI-UXHICEINSA-N 1 1 481.597 3.664 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)C2)C1 ZINC001164786075 721372259 /nfs/dbraw/zinc/37/22/59/721372259.db2.gz WAXZPRUCXXQNDB-HHHXNRCGSA-N 1 1 490.608 3.761 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)C2)C1 ZINC001164786075 721372261 /nfs/dbraw/zinc/37/22/61/721372261.db2.gz WAXZPRUCXXQNDB-HHHXNRCGSA-N 1 1 490.608 3.761 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5cc(F)ccc5c43)C2)C1 ZINC001164787941 721377019 /nfs/dbraw/zinc/37/70/19/721377019.db2.gz YMXRLIZGYSUKNL-RUZDIDTESA-N 1 1 464.545 3.974 20 0 JHADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781915 721386801 /nfs/dbraw/zinc/38/68/01/721386801.db2.gz KXDRKZHUHVCGFE-GJZUVCINSA-N 1 1 452.599 3.542 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)O2)CC1 ZINC001164894101 721393652 /nfs/dbraw/zinc/39/36/52/721393652.db2.gz XQYQUVKVUZHWSO-XMSQKQJNSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)O2)CC1 ZINC001164889244 721394605 /nfs/dbraw/zinc/39/46/05/721394605.db2.gz LFOFMJMWBWHIEU-KSFYIVLOSA-N 1 1 483.966 3.733 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)O2)CC1 ZINC001164897648 721431659 /nfs/dbraw/zinc/43/16/59/721431659.db2.gz UKCFXYACVUUEJQ-XXBNENTESA-N 1 1 493.002 3.502 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164885898 721450975 /nfs/dbraw/zinc/45/09/75/721450975.db2.gz FVLOARNZNVUPCK-PXDATVDWSA-N 1 1 488.032 3.696 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164784409 721455825 /nfs/dbraw/zinc/45/58/25/721455825.db2.gz FCVHHMLGORWHRX-SFHVURJKSA-N 1 1 458.981 3.717 20 0 JHADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164784489 721461015 /nfs/dbraw/zinc/46/10/15/721461015.db2.gz IKQJEHUROTXDLF-QFIPXVFZSA-N 1 1 469.626 3.986 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164784489 721461017 /nfs/dbraw/zinc/46/10/17/721461017.db2.gz IKQJEHUROTXDLF-QFIPXVFZSA-N 1 1 469.626 3.986 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164784623 721463426 /nfs/dbraw/zinc/46/34/26/721463426.db2.gz ISEVQPHYJHBVQA-IBGZPJMESA-N 1 1 477.053 3.795 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164788797 721467022 /nfs/dbraw/zinc/46/70/22/721467022.db2.gz LAMNTJRNCDVYGJ-WIOPSUGQSA-N 1 1 484.685 3.688 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164787340 721470141 /nfs/dbraw/zinc/47/01/41/721470141.db2.gz DZJOMWVLQDKIPN-QHCPKHFHSA-N 1 1 477.653 3.761 20 0 JHADMO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164896117 721475061 /nfs/dbraw/zinc/47/50/61/721475061.db2.gz VGBSSAGDAIGCAR-MUUNZHRXSA-N 1 1 468.605 3.592 20 0 JHADMO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164896117 721475064 /nfs/dbraw/zinc/47/50/64/721475064.db2.gz VGBSSAGDAIGCAR-MUUNZHRXSA-N 1 1 468.605 3.592 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164895024 721479514 /nfs/dbraw/zinc/47/95/14/721479514.db2.gz QJNGLAONOLLAOW-LUGTWXOSSA-N 1 1 458.622 3.678 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)n1 ZINC001164793666 721482121 /nfs/dbraw/zinc/48/21/21/721482121.db2.gz XMOCDQVYSDENNT-AABGKKOBSA-N 1 1 487.670 3.545 20 0 JHADMO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164899005 721489170 /nfs/dbraw/zinc/48/91/70/721489170.db2.gz XTQHGFOTAOUQAL-HSZRJFAPSA-N 1 1 460.622 3.684 20 0 JHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)CC2 ZINC001164791759 721491818 /nfs/dbraw/zinc/49/18/18/721491818.db2.gz FGMVEYLOZCWKKP-UHFFFAOYSA-N 1 1 493.002 3.788 20 0 JHADMO CCOC(=O)c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C(=O)OCC ZINC001164795291 721504838 /nfs/dbraw/zinc/50/48/38/721504838.db2.gz KANWFQWKELUHNM-UHFFFAOYSA-N 1 1 466.582 3.711 20 0 JHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905840 721527673 /nfs/dbraw/zinc/52/76/73/721527673.db2.gz IXBUGUYMIRZCFV-ZBFHGGJFSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164809030 721537312 /nfs/dbraw/zinc/53/73/12/721537312.db2.gz UDRQKHYGYMZIHN-LGVFNWMJSA-N 1 1 470.017 3.624 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164809030 721537315 /nfs/dbraw/zinc/53/73/15/721537315.db2.gz UDRQKHYGYMZIHN-LGVFNWMJSA-N 1 1 470.017 3.624 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164905789 721550316 /nfs/dbraw/zinc/55/03/16/721550316.db2.gz IFJGMTMYQJBBFQ-DOTOQJQBSA-N 1 1 455.864 3.548 20 0 JHADMO COC(=O)c1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164904086 721560003 /nfs/dbraw/zinc/56/00/03/721560003.db2.gz CZKJYTWQZRNIHC-IEBWSBKVSA-N 1 1 451.498 3.511 20 0 JHADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164910365 721563375 /nfs/dbraw/zinc/56/33/75/721563375.db2.gz WJSFYRQSSOULDC-ZJSXRUAMSA-N 1 1 463.557 3.603 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164799717 721574747 /nfs/dbraw/zinc/57/47/47/721574747.db2.gz DHOAGGKDGLYFJZ-BHIFYINESA-N 1 1 481.984 3.723 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164799717 721574751 /nfs/dbraw/zinc/57/47/51/721574751.db2.gz DHOAGGKDGLYFJZ-BHIFYINESA-N 1 1 481.984 3.723 20 0 JHADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2C1=O ZINC001164905065 721575256 /nfs/dbraw/zinc/57/52/56/721575256.db2.gz XYVGBEADRZZZDN-ZWKOTPCHSA-N 1 1 497.690 3.947 20 0 JHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906552 721691492 /nfs/dbraw/zinc/69/14/92/721691492.db2.gz NJUCKAKMVRFNTQ-LJQANCHMSA-N 1 1 472.918 3.874 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913859 721727896 /nfs/dbraw/zinc/72/78/96/721727896.db2.gz YYYMMJXQOLEISC-QHCPKHFHSA-N 1 1 493.624 3.681 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001165011931 721733594 /nfs/dbraw/zinc/73/35/94/721733594.db2.gz XZRGAGOKLQYVTQ-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910126 721754017 /nfs/dbraw/zinc/75/40/17/721754017.db2.gz NIPSMPFGVGABHE-UHFFFAOYSA-N 1 1 457.534 3.989 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910126 721754024 /nfs/dbraw/zinc/75/40/24/721754024.db2.gz NIPSMPFGVGABHE-UHFFFAOYSA-N 1 1 457.534 3.989 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)no1 ZINC001164911714 721760537 /nfs/dbraw/zinc/76/05/37/721760537.db2.gz RBHOSOZPORGBAG-UHFFFAOYSA-N 1 1 458.522 3.813 20 0 JHADMO Cc1cc(NC(=O)c2cccnc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)no1 ZINC001164911714 721760539 /nfs/dbraw/zinc/76/05/39/721760539.db2.gz RBHOSOZPORGBAG-UHFFFAOYSA-N 1 1 458.522 3.813 20 0 JHADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913634 721779009 /nfs/dbraw/zinc/77/90/09/721779009.db2.gz YWPBCLFGYPFXDG-MUUNZHRXSA-N 1 1 467.573 3.800 20 0 JHADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913634 721779016 /nfs/dbraw/zinc/77/90/16/721779016.db2.gz YWPBCLFGYPFXDG-MUUNZHRXSA-N 1 1 467.573 3.800 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC001165017264 721785055 /nfs/dbraw/zinc/78/50/55/721785055.db2.gz GDFHWFGBNORRKG-RUZDIDTESA-N 1 1 479.654 3.963 20 0 JHADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CN1c1cccnc1 ZINC001165018303 721792158 /nfs/dbraw/zinc/79/21/58/721792158.db2.gz HPKVBNMGYZYSFM-FXAWDEMLSA-N 1 1 474.634 3.660 20 0 JHADMO FC1(F)CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164915063 721802347 /nfs/dbraw/zinc/80/23/47/721802347.db2.gz HPBPCUUTVWRJGE-VWLOTQADSA-N 1 1 477.563 3.567 20 0 JHADMO FC1(F)CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164915063 721802349 /nfs/dbraw/zinc/80/23/49/721802349.db2.gz HPBPCUUTVWRJGE-VWLOTQADSA-N 1 1 477.563 3.567 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026098 721816990 /nfs/dbraw/zinc/81/69/90/721816990.db2.gz PDXULXAVJBHYIG-UCLAIMLFSA-N 1 1 454.962 3.530 20 0 JHADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165030563 721825130 /nfs/dbraw/zinc/82/51/30/721825130.db2.gz ZZNRBEAFJDGINP-JVODISISSA-N 1 1 471.671 3.680 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]21 ZINC001165023912 721827675 /nfs/dbraw/zinc/82/76/75/721827675.db2.gz IOYWAUCPVGZTMD-XSBVVTFOSA-N 1 1 483.664 3.935 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928138 721833814 /nfs/dbraw/zinc/83/38/14/721833814.db2.gz WQAQHJDIONWSRV-AHWVRZQESA-N 1 1 485.698 3.891 20 0 JHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001165023207 721843441 /nfs/dbraw/zinc/84/34/41/721843441.db2.gz YQMWJJVCQKXVAX-UHFFFAOYSA-N 1 1 456.921 3.715 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164925979 721871619 /nfs/dbraw/zinc/87/16/19/721871619.db2.gz PMGIDMAZVXXRGF-PMACEKPBSA-N 1 1 460.981 3.932 20 0 JHADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164925979 721871620 /nfs/dbraw/zinc/87/16/20/721871620.db2.gz PMGIDMAZVXXRGF-PMACEKPBSA-N 1 1 460.981 3.932 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CC[N@H+]5CCN(C)C)n2)CCC4)CC1 ZINC001164932860 721879298 /nfs/dbraw/zinc/87/92/98/721879298.db2.gz KCLCVYIOPVZUJU-SFTDATJTSA-N 1 1 468.715 3.627 20 0 JHADMO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CCN5CC[NH+](C)C)n2)CCC4)CC1 ZINC001164932860 721879300 /nfs/dbraw/zinc/87/93/00/721879300.db2.gz KCLCVYIOPVZUJU-SFTDATJTSA-N 1 1 468.715 3.627 20 0 JHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939088 721928057 /nfs/dbraw/zinc/92/80/57/721928057.db2.gz IVFDNJJDTYEBIB-UHFFFAOYSA-N 1 1 469.973 3.578 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC3)C2)cc1 ZINC001164944383 721933724 /nfs/dbraw/zinc/93/37/24/721933724.db2.gz SAHYVCGAUZBQDE-UHFFFAOYSA-N 1 1 492.451 3.800 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955808 722010058 /nfs/dbraw/zinc/01/00/58/722010058.db2.gz ZNKZZQBMKUKMME-UQBPGWFLSA-N 1 1 486.686 3.693 20 0 JHADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955925 722021054 /nfs/dbraw/zinc/02/10/54/722021054.db2.gz SVFSWKMIIGWFFK-UHFFFAOYSA-N 1 1 488.617 3.556 20 0 JHADMO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164957983 722023624 /nfs/dbraw/zinc/02/36/24/722023624.db2.gz CQQDQUOOHIAOJM-UHFFFAOYSA-N 1 1 481.597 3.909 20 0 JHADMO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164957983 722023628 /nfs/dbraw/zinc/02/36/28/722023628.db2.gz CQQDQUOOHIAOJM-UHFFFAOYSA-N 1 1 481.597 3.909 20 0 JHADMO Cc1ccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960565 722025498 /nfs/dbraw/zinc/02/54/98/722025498.db2.gz KOBDRCGBPTZFNZ-YWEHKCAJSA-N 1 1 470.621 3.788 20 0 JHADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164959498 722039671 /nfs/dbraw/zinc/03/96/71/722039671.db2.gz INTFNPITWOVRIP-OEWRPIJISA-N 1 1 453.656 3.763 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164963968 722041900 /nfs/dbraw/zinc/04/19/00/722041900.db2.gz SRORUPIVUSSHFT-ZIFCJYIRSA-N 1 1 480.638 3.694 20 0 JHADMO 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CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306654679 1069366360 /nfs/dbraw/zinc/36/63/60/1069366360.db2.gz QZSYSNWBMLCQDB-RPWUZVMVSA-N 1 1 467.706 3.752 20 0 JHADMO CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306654679 1069366376 /nfs/dbraw/zinc/36/63/76/1069366376.db2.gz QZSYSNWBMLCQDB-RPWUZVMVSA-N 1 1 467.706 3.752 20 0 JHADMO CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422771 1069370871 /nfs/dbraw/zinc/37/08/71/1069370871.db2.gz JPVSXOMTENVNCA-DNVJHFABSA-N 1 1 456.656 3.724 20 0 JHADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422771 1069370876 /nfs/dbraw/zinc/37/08/76/1069370876.db2.gz JPVSXOMTENVNCA-DNVJHFABSA-N 1 1 456.656 3.724 20 0 JHADMO C[N@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422771 1069370884 /nfs/dbraw/zinc/37/08/84/1069370884.db2.gz JPVSXOMTENVNCA-DNVJHFABSA-N 1 1 456.656 3.724 20 0 JHADMO Cc1cc(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br ZINC001311424304 1069372404 /nfs/dbraw/zinc/37/24/04/1069372404.db2.gz PFVPLKFEQSZQFJ-UHFFFAOYSA-N 1 1 459.432 3.765 20 0 JHADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001311429892 1069375834 /nfs/dbraw/zinc/37/58/34/1069375834.db2.gz DYPHQJPANDDCIR-YKSBVNFPSA-N 1 1 457.640 3.991 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCc3ccc(F)cc3C(F)(F)F)C2)cc(OC)c1 ZINC001311465881 1069391476 /nfs/dbraw/zinc/39/14/76/1069391476.db2.gz LEXMZLNACAMAIW-QGZVFWFLSA-N 1 1 455.452 3.935 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCc3ccc(F)cc3C(F)(F)F)C2)cc(OC)c1 ZINC001311465881 1069391494 /nfs/dbraw/zinc/39/14/94/1069391494.db2.gz LEXMZLNACAMAIW-QGZVFWFLSA-N 1 1 455.452 3.935 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001306666693 1069395183 /nfs/dbraw/zinc/39/51/83/1069395183.db2.gz ZRJJSHVRFVJGCJ-PKTZIBPZSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001306669811 1069396792 /nfs/dbraw/zinc/39/67/92/1069396792.db2.gz SPYPUAXTSJAEPV-FQEVSTJZSA-N 1 1 461.676 3.953 20 0 JHADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC001311492918 1069403566 /nfs/dbraw/zinc/40/35/66/1069403566.db2.gz GUVRAIUQBPGFQH-INIZCTEOSA-N 1 1 450.509 3.781 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)CC1 ZINC001306679676 1069405046 /nfs/dbraw/zinc/40/50/46/1069405046.db2.gz IHWPBTGKWVJGJW-UHFFFAOYSA-N 1 1 457.026 3.724 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497961 1069407872 /nfs/dbraw/zinc/40/78/72/1069407872.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 1 1 450.627 3.758 20 0 JHADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497961 1069407878 /nfs/dbraw/zinc/40/78/78/1069407878.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 1 1 450.627 3.758 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001306681402 1069410456 /nfs/dbraw/zinc/41/04/56/1069410456.db2.gz LUMXYGRVFAMFLP-ICSRJNTNSA-N 1 1 475.707 3.903 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3ccsc32)CC1 ZINC001306681531 1069410539 /nfs/dbraw/zinc/41/05/39/1069410539.db2.gz MVPPVWYKZSMWDU-SFHVURJKSA-N 1 1 456.664 3.855 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[C@@]3(C)Cc3cccc(F)c3)cc2)CC1 ZINC001311501622 1069411022 /nfs/dbraw/zinc/41/10/22/1069411022.db2.gz IAHQSJWKCNMGQV-SANMLTNESA-N 1 1 452.574 3.520 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001306680899 1069409311 /nfs/dbraw/zinc/40/93/11/1069409311.db2.gz QISMPWWOISJQLJ-UHFFFAOYSA-N 1 1 467.724 3.881 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001306681324 1069410037 /nfs/dbraw/zinc/41/00/37/1069410037.db2.gz WTPQHIRZRXFEAF-UHFFFAOYSA-N 1 1 477.675 3.620 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001306683436 1069416623 /nfs/dbraw/zinc/41/66/23/1069416623.db2.gz UDNMZIHOXZDUIZ-OAQYLSRUSA-N 1 1 479.629 3.940 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001306683299 1069416679 /nfs/dbraw/zinc/41/66/79/1069416679.db2.gz WNZGTOWNNOFRJJ-GOSISDBHSA-N 1 1 491.478 3.805 20 0 JHADMO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311509389 1069415164 /nfs/dbraw/zinc/41/51/64/1069415164.db2.gz VACUDMMHFBOTFM-RPWUZVMVSA-N 1 1 457.663 3.882 20 0 JHADMO CN(C(=O)NCc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311509387 1069415240 /nfs/dbraw/zinc/41/52/40/1069415240.db2.gz VACUDMMHFBOTFM-BJKOFHAPSA-N 1 1 457.663 3.882 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306682881 1069415223 /nfs/dbraw/zinc/41/52/23/1069415223.db2.gz PIOFRNRDHVWKFN-UHFFFAOYSA-N 1 1 470.643 3.911 20 0 JHADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C[C@@H](C)O1 ZINC001311510118 1069415871 /nfs/dbraw/zinc/41/58/71/1069415871.db2.gz CQSGXOGCGARULU-WOJBJXKFSA-N 1 1 453.583 3.731 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001306684579 1069419523 /nfs/dbraw/zinc/41/95/23/1069419523.db2.gz OVPRFUGERBJIIA-UHFFFAOYSA-N 1 1 479.673 3.910 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001306685048 1069420163 /nfs/dbraw/zinc/42/01/63/1069420163.db2.gz YGYUYWSLIQOECX-UHFFFAOYSA-N 1 1 465.577 3.705 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001306685275 1069420620 /nfs/dbraw/zinc/42/06/20/1069420620.db2.gz ZUDQVKWIKGRJSL-FQEVSTJZSA-N 1 1 465.646 3.851 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001306685459 1069420878 /nfs/dbraw/zinc/42/08/78/1069420878.db2.gz DZAXUSJOOBHISX-HKBOAZHASA-N 1 1 478.682 3.943 20 0 JHADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001306686855 1069423131 /nfs/dbraw/zinc/42/31/31/1069423131.db2.gz YGMZNEIAMVTOJS-NRFANRHFSA-N 1 1 474.675 3.712 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001306687782 1069424731 /nfs/dbraw/zinc/42/47/31/1069424731.db2.gz KBFCWMRIGFEDJU-UHFFFAOYSA-N 1 1 486.711 3.995 20 0 JHADMO CCC(CC)[C@@H](CNC(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001311531939 1069425742 /nfs/dbraw/zinc/42/57/42/1069425742.db2.gz CWWVWJIIEKQMDU-HXUWFJFHSA-N 1 1 454.656 3.602 20 0 JHADMO CCCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001306688534 1069425832 /nfs/dbraw/zinc/42/58/32/1069425832.db2.gz PRVYBAYWDRRMRM-OBTVHEKISA-N 1 1 485.673 3.979 20 0 JHADMO CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)N1CC[NH+](C)CC1 ZINC001311535825 1069428524 /nfs/dbraw/zinc/42/85/24/1069428524.db2.gz KFGKQAMTFPRPRA-XZOQPEGZSA-N 1 1 456.610 3.724 20 0 JHADMO Cc1ccc(C(=O)NCCNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc1F ZINC001311539596 1069430869 /nfs/dbraw/zinc/43/08/69/1069430869.db2.gz QOCZXBMLOPZFKH-UHFFFAOYSA-N 1 1 454.590 3.998 20 0 JHADMO CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306696988 1069433075 /nfs/dbraw/zinc/43/30/75/1069433075.db2.gz ZNVVRYKIMDGENQ-MOPGFXCFSA-N 1 1 465.689 3.705 20 0 JHADMO CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306715738 1069447368 /nfs/dbraw/zinc/44/73/68/1069447368.db2.gz NZPTZBBNKPIWPW-DHIUTWEWSA-N 1 1 460.711 3.992 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)CC1 ZINC001306721740 1069458490 /nfs/dbraw/zinc/45/84/90/1069458490.db2.gz BPKHAJMQRIETII-SFHVURJKSA-N 1 1 450.052 3.822 20 0 JHADMO CC[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC001311608803 1069460852 /nfs/dbraw/zinc/46/08/52/1069460852.db2.gz WWORHOODPZPGCR-GMAHTHKFSA-N 1 1 456.631 3.512 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722728 1069460957 /nfs/dbraw/zinc/46/09/57/1069460957.db2.gz NDPSLMZCGVFSSS-VXNXHJTFSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722728 1069460964 /nfs/dbraw/zinc/46/09/64/1069460964.db2.gz NDPSLMZCGVFSSS-VXNXHJTFSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001306722728 1069460974 /nfs/dbraw/zinc/46/09/74/1069460974.db2.gz NDPSLMZCGVFSSS-VXNXHJTFSA-N 1 1 460.711 3.995 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)C)CC1 ZINC001306723125 1069462313 /nfs/dbraw/zinc/46/23/13/1069462313.db2.gz QALMHNYOFYLEPU-NRFANRHFSA-N 1 1 483.661 3.974 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001306723314 1069463002 /nfs/dbraw/zinc/46/30/02/1069463002.db2.gz RJSHONMDASGPBP-UNMCSNQZSA-N 1 1 484.645 3.885 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001306723643 1069464134 /nfs/dbraw/zinc/46/41/34/1069464134.db2.gz UBXBNWOOBTWNQP-JOCHJYFZSA-N 1 1 476.629 3.773 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724685 1069465796 /nfs/dbraw/zinc/46/57/96/1069465796.db2.gz ZCARKZYVXGQUPT-HKUYNNGSSA-N 1 1 483.082 3.517 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001306725975 1069467879 /nfs/dbraw/zinc/46/78/79/1069467879.db2.gz IPVWDCFSPVUAFV-NRFANRHFSA-N 1 1 458.626 3.969 20 0 JHADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001306726360 1069469365 /nfs/dbraw/zinc/46/93/65/1069469365.db2.gz CRQWVYPBJHZSJA-RCZVLFRGSA-N 1 1 496.700 3.803 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306726457 1069469395 /nfs/dbraw/zinc/46/93/95/1069469395.db2.gz MOIWQFOFSMOSRM-RPWUZVMVSA-N 1 1 488.721 3.910 20 0 JHADMO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619071 1069470053 /nfs/dbraw/zinc/47/00/53/1069470053.db2.gz JJQJEVQWRFDCEI-XMSQKQJNSA-N 1 1 454.546 3.627 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001306726599 1069470565 /nfs/dbraw/zinc/47/05/65/1069470565.db2.gz ABFKHZPHPCNKDV-ISKFKSNPSA-N 1 1 466.674 3.775 20 0 JHADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC001311622182 1069472786 /nfs/dbraw/zinc/47/27/86/1069472786.db2.gz JJZSZGYSVANMSH-GKCIPKSASA-N 1 1 450.352 3.696 20 0 JHADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC001311622182 1069472793 /nfs/dbraw/zinc/47/27/93/1069472793.db2.gz JJZSZGYSVANMSH-GKCIPKSASA-N 1 1 450.352 3.696 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001306728099 1069473739 /nfs/dbraw/zinc/47/37/39/1069473739.db2.gz SLFXIGZHBIKGGD-PMACEKPBSA-N 1 1 466.552 3.686 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](Cc2nccs2)C1 ZINC001311629557 1069478210 /nfs/dbraw/zinc/47/82/10/1069478210.db2.gz DRUGWMFNWADVNA-QHCPKHFHSA-N 1 1 455.672 3.705 20 0 JHADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001311630152 1069478784 /nfs/dbraw/zinc/47/87/84/1069478784.db2.gz MXQMIGCYPPGMHX-AREMUKBSSA-N 1 1 456.675 3.823 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C ZINC001306731631 1069486966 /nfs/dbraw/zinc/48/69/66/1069486966.db2.gz SAILLXBIFULTOU-JOCHJYFZSA-N 1 1 468.694 3.964 20 0 JHADMO C[C@H]1CCC[C@](CNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651728 1069489279 /nfs/dbraw/zinc/48/92/79/1069489279.db2.gz AFPUGTXHWVFOMU-RDPSFJRHSA-N 1 1 450.071 3.662 20 0 JHADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001306732366 1069489725 /nfs/dbraw/zinc/48/97/25/1069489725.db2.gz VMHNINKKBRFVTO-QFIPXVFZSA-N 1 1 484.645 3.709 20 0 JHADMO CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1)CC1CC1 ZINC001311665017 1069494003 /nfs/dbraw/zinc/49/40/03/1069494003.db2.gz KGTYNTRDRMFRBC-XMMPIXPASA-N 1 1 456.631 3.848 20 0 JHADMO CC[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC001311667308 1069495591 /nfs/dbraw/zinc/49/55/91/1069495591.db2.gz SAGRVACQBIMPLP-BKMJKUGQSA-N 1 1 450.627 3.713 20 0 JHADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665047 1069494614 /nfs/dbraw/zinc/49/46/14/1069494614.db2.gz KWECFKSWZZTQSF-YCRPNKLZSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)CCO1 ZINC001311665047 1069494618 /nfs/dbraw/zinc/49/46/18/1069494618.db2.gz KWECFKSWZZTQSF-YCRPNKLZSA-N 1 1 452.382 3.747 20 0 JHADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001311671830 1069498008 /nfs/dbraw/zinc/49/80/08/1069498008.db2.gz GXCNFLSIRKJQDW-QHAWAJNXSA-N 1 1 450.071 3.518 20 0 JHADMO C[C@@H](COc1ccc(F)cc1F)NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001311691195 1069505265 /nfs/dbraw/zinc/50/52/65/1069505265.db2.gz TYMWADYZXGBACL-INIZCTEOSA-N 1 1 452.933 3.507 20 0 JHADMO 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 1069506671 /nfs/dbraw/zinc/50/66/71/1069506671.db2.gz FDQHDLSUTBYGET-VLCRHTCISA-N 1 1 462.610 3.950 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001306738327 1069509075 /nfs/dbraw/zinc/50/90/75/1069509075.db2.gz RYAUCNFQTXEGDY-UNMCSNQZSA-N 1 1 468.646 3.571 20 0 JHADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306738317 1069509107 /nfs/dbraw/zinc/50/91/07/1069509107.db2.gz RYAUCNFQTXEGDY-IFMALSPDSA-N 1 1 468.646 3.571 20 0 JHADMO CCN(C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[C@@H](C)CS(C)(=O)=O ZINC001311716791 1069516938 /nfs/dbraw/zinc/51/69/38/1069516938.db2.gz PNPHWBXHXXDGDX-YJBOKZPZSA-N 1 1 451.555 3.553 20 0 JHADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001306747204 1069533898 /nfs/dbraw/zinc/53/38/98/1069533898.db2.gz VINCLKOLEBLASJ-UPVQGACJSA-N 1 1 466.674 3.794 20 0 JHADMO COc1ccc(C2=NO[C@H](CNC(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC001311745584 1069531129 /nfs/dbraw/zinc/53/11/29/1069531129.db2.gz CWDXXTSJULGEPC-CTNGQTDRSA-N 1 1 454.546 3.539 20 0 JHADMO CCCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@@H](C)OC)cc1OC ZINC001306747460 1069534718 /nfs/dbraw/zinc/53/47/18/1069534718.db2.gz RECZSOUCIXEPCP-SBHAEUEKSA-N 1 1 457.619 3.840 20 0 JHADMO CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001311761362 1069536281 /nfs/dbraw/zinc/53/62/81/1069536281.db2.gz JVQYQCQZXWZDHL-LOSJGSFVSA-N 1 1 454.590 3.505 20 0 JHADMO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001306748642 1069538825 /nfs/dbraw/zinc/53/88/25/1069538825.db2.gz LRDXFFKPWCYDNM-FGZHOGPDSA-N 1 1 476.710 3.670 20 0 JHADMO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[N@@H+]1CCc2sccc2C1 ZINC001311794630 1069548178 /nfs/dbraw/zinc/54/81/78/1069548178.db2.gz MVESNPWBZMOBCM-NVXWUHKLSA-N 1 1 450.555 3.674 20 0 JHADMO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[N@H+]1CCc2sccc2C1 ZINC001311794630 1069548187 /nfs/dbraw/zinc/54/81/87/1069548187.db2.gz MVESNPWBZMOBCM-NVXWUHKLSA-N 1 1 450.555 3.674 20 0 JHADMO CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001306750327 1069544668 /nfs/dbraw/zinc/54/46/68/1069544668.db2.gz CFLDJOFQJTYOIL-JOCHJYFZSA-N 1 1 489.064 3.548 20 0 JHADMO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819246 1069559312 /nfs/dbraw/zinc/55/93/12/1069559312.db2.gz HSGLXZZLGMBGNM-OFNKIYASSA-N 1 1 453.606 3.554 20 0 JHADMO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819246 1069559320 /nfs/dbraw/zinc/55/93/20/1069559320.db2.gz HSGLXZZLGMBGNM-OFNKIYASSA-N 1 1 453.606 3.554 20 0 JHADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001311827544 1069564924 /nfs/dbraw/zinc/56/49/24/1069564924.db2.gz RGAKJCUDEZDHEP-GOSISDBHSA-N 1 1 451.409 3.792 20 0 JHADMO C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001311829775 1069566916 /nfs/dbraw/zinc/56/69/16/1069566916.db2.gz NLVYCOCKQWLYGL-CTUHWIOQSA-N 1 1 457.018 3.676 20 0 JHADMO CCCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001306768125 1069568651 /nfs/dbraw/zinc/56/86/51/1069568651.db2.gz RPDOYBVPBBLLIY-YMPZKCBVSA-N 1 1 477.694 3.703 20 0 JHADMO CCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CC[NH+](CC)CC1 ZINC001306770122 1069569583 /nfs/dbraw/zinc/56/95/83/1069569583.db2.gz YQVCKWHXORGFCR-UHFFFAOYSA-N 1 1 467.431 3.721 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)C1 ZINC001306778987 1069574829 /nfs/dbraw/zinc/57/48/29/1069574829.db2.gz CMJMLZITEIUCFJ-GOSISDBHSA-N 1 1 491.478 3.744 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CC)C1 ZINC001306779303 1069575525 /nfs/dbraw/zinc/57/55/25/1069575525.db2.gz FOOPOUBDRMXYCM-CLOONOSVSA-N 1 1 451.619 3.664 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccco2)C1 ZINC001306779887 1069576180 /nfs/dbraw/zinc/57/61/80/1069576180.db2.gz JSYWFXOMFJWKET-AOMKIAJQSA-N 1 1 491.434 3.705 20 0 JHADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC001306780364 1069577405 /nfs/dbraw/zinc/57/74/05/1069577405.db2.gz MZKHOPKQLSXVGW-RTWAWAEBSA-N 1 1 460.692 3.705 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)C1 ZINC001306780682 1069577925 /nfs/dbraw/zinc/57/79/25/1069577925.db2.gz DTKUBAKINQWIRE-IBGZPJMESA-N 1 1 494.610 3.963 20 0 JHADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCOC2)C1 ZINC001306782921 1069581895 /nfs/dbraw/zinc/58/18/95/1069581895.db2.gz LOIOTAVPQVJUSG-FCHUYYIVSA-N 1 1 468.646 3.742 20 0 JHADMO 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CCOC[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001314432250 1070316257 /nfs/dbraw/zinc/31/62/57/1070316257.db2.gz ROPHLNWHCDIJMU-GGAORHGYSA-N 1 1 455.647 3.794 20 0 JHADMO Cc1noc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001308112227 1070317508 /nfs/dbraw/zinc/31/75/08/1070317508.db2.gz DVSZUSPZQZWMAT-WBVHZDCISA-N 1 1 453.568 3.974 20 0 JHADMO Cc1noc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001308112227 1070317526 /nfs/dbraw/zinc/31/75/26/1070317526.db2.gz DVSZUSPZQZWMAT-WBVHZDCISA-N 1 1 453.568 3.974 20 0 JHADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289884 1070318263 /nfs/dbraw/zinc/31/82/63/1070318263.db2.gz JLYGTNMXXALAAW-KRWDZBQOSA-N 1 1 458.550 3.635 20 0 JHADMO CCOC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314437252 1070324732 /nfs/dbraw/zinc/32/47/32/1070324732.db2.gz VRAFNPKMPRYIFX-MSOLQXFVSA-N 1 1 479.467 3.641 20 0 JHADMO 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C[N@@H+](CCN1CCN(C(=O)NCc2cccc(OC(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001313413659 1070352084 /nfs/dbraw/zinc/35/20/84/1070352084.db2.gz DACPQEAGLUBRNC-UHFFFAOYSA-N 1 1 450.505 3.544 20 0 JHADMO C[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001313413187 1070352371 /nfs/dbraw/zinc/35/23/71/1070352371.db2.gz DPPWUWSMRZFLJM-FDDCHVKYSA-N 1 1 453.537 3.951 20 0 JHADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2cc(Cl)ccc2OC(F)F)cc1 ZINC001308310241 1070354860 /nfs/dbraw/zinc/35/48/60/1070354860.db2.gz OMJHGFHFZMPSEU-UHFFFAOYSA-N 1 1 452.933 3.764 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313447198 1070366337 /nfs/dbraw/zinc/36/63/37/1070366337.db2.gz KGODGQQHIIHWEF-KRWDZBQOSA-N 1 1 497.562 3.730 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC(N)=O)CC1 ZINC001313448478 1070370960 /nfs/dbraw/zinc/37/09/60/1070370960.db2.gz RKFDBAKOSIMFJT-KRWDZBQOSA-N 1 1 495.455 3.597 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCCC1 ZINC001313448642 1070371626 /nfs/dbraw/zinc/37/16/26/1070371626.db2.gz SGVUIZWVFPEORF-QFIPXVFZSA-N 1 1 488.702 3.696 20 0 JHADMO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ncn(-c3ccccc3)n2)CC1 ZINC001308418918 1070373099 /nfs/dbraw/zinc/37/30/99/1070373099.db2.gz XPFKBEKXJAWPOS-UHFFFAOYSA-N 1 1 454.372 3.733 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br ZINC001313448943 1070373095 /nfs/dbraw/zinc/37/30/95/1070373095.db2.gz DPMOIHSXEBAPSR-HKUYNNGSSA-N 1 1 475.435 3.503 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)C1 ZINC001313449757 1070375389 /nfs/dbraw/zinc/37/53/89/1070375389.db2.gz ZQHOZPFOWHBTHY-CPJSRVTESA-N 1 1 457.619 3.842 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 ZINC001313450093 1070376838 /nfs/dbraw/zinc/37/68/38/1070376838.db2.gz IWPWHYMXKLNLQT-PCCBWWKXSA-N 1 1 476.666 3.697 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001313450593 1070378343 /nfs/dbraw/zinc/37/83/43/1070378343.db2.gz ZRBBYEBFGAKBSL-UNMCSNQZSA-N 1 1 452.647 3.690 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001313451188 1070379671 /nfs/dbraw/zinc/37/96/71/1070379671.db2.gz SDFSWLKOOKFDNS-QHCPKHFHSA-N 1 1 482.673 3.599 20 0 JHADMO CCOCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001314470510 1070380802 /nfs/dbraw/zinc/38/08/02/1070380802.db2.gz LSIWBFRRLZPDLK-HXUWFJFHSA-N 1 1 487.649 3.639 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001313451818 1070381080 /nfs/dbraw/zinc/38/10/80/1070381080.db2.gz BBCYRWDYZKVTCQ-FUHWJXTLSA-N 1 1 498.491 3.827 20 0 JHADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313452534 1070383275 /nfs/dbraw/zinc/38/32/75/1070383275.db2.gz LINROXCSVJQIAK-SVFBPWRDSA-N 1 1 481.563 3.930 20 0 JHADMO CCOCCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001314477613 1070387951 /nfs/dbraw/zinc/38/79/51/1070387951.db2.gz OOSTUMUPSOZJHY-PMACEKPBSA-N 1 1 464.655 3.555 20 0 JHADMO CCOC(=O)Cn1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2cccnc2)n1 ZINC001308581815 1070393917 /nfs/dbraw/zinc/39/39/17/1070393917.db2.gz OPZXGBCKFHKPNQ-HSZRJFAPSA-N 1 1 452.530 3.829 20 0 JHADMO COC(=O)c1ccc(C[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)nc1 ZINC001308611679 1070400777 /nfs/dbraw/zinc/40/07/77/1070400777.db2.gz TYFMGNNKTBUBGW-UHFFFAOYSA-N 1 1 453.436 3.676 20 0 JHADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001313459326 1070405811 /nfs/dbraw/zinc/40/58/11/1070405811.db2.gz HNCWMVNHVZZJMP-IAGOWNOFSA-N 1 1 477.028 3.963 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccncc2Cl)CC1 ZINC001314494397 1070410120 /nfs/dbraw/zinc/41/01/20/1070410120.db2.gz QPNNAZNCESBSDE-GOSISDBHSA-N 1 1 488.995 3.812 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)CCO3)C[C@H]1CC ZINC001314494160 1070410175 /nfs/dbraw/zinc/41/01/75/1070410175.db2.gz NUQHSCKPPZAXSK-JOCHJYFZSA-N 1 1 455.647 3.690 20 0 JHADMO CCOCCN1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001314494605 1070410930 /nfs/dbraw/zinc/41/09/30/1070410930.db2.gz UADOKFLDLDNJJU-UHFFFAOYSA-N 1 1 468.690 3.571 20 0 JHADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001313460886 1070412953 /nfs/dbraw/zinc/41/29/53/1070412953.db2.gz PVMDARKQPCYDEF-FQEVSTJZSA-N 1 1 457.022 3.603 20 0 JHADMO CN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308663707 1070413388 /nfs/dbraw/zinc/41/33/88/1070413388.db2.gz STYQGIPFDDHSDZ-FGZHOGPDSA-N 1 1 454.619 3.556 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001314496414 1070417100 /nfs/dbraw/zinc/41/71/00/1070417100.db2.gz QIEZNDRLJIJKQE-UHFFFAOYSA-N 1 1 456.541 3.659 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@](C)(O)C(C)C)CC1 ZINC001314496897 1070418868 /nfs/dbraw/zinc/41/88/68/1070418868.db2.gz NIMGHVZJKRYRBV-SANMLTNESA-N 1 1 498.697 3.943 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001314497262 1070420414 /nfs/dbraw/zinc/42/04/14/1070420414.db2.gz BUGHLHJFSNXNTB-VXKWHMMOSA-N 1 1 490.693 3.882 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1CC ZINC001314497263 1070420427 /nfs/dbraw/zinc/42/04/27/1070420427.db2.gz BUGHLHJFSNXNTB-YADHBBJMSA-N 1 1 490.693 3.882 20 0 JHADMO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001308735088 1070428363 /nfs/dbraw/zinc/42/83/63/1070428363.db2.gz WFURKAUKNSOGCY-AREMUKBSSA-N 1 1 453.583 3.952 20 0 JHADMO CN(C)c1nc(C[NH2+]CC2([S@](C)=O)CCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001308723994 1070426087 /nfs/dbraw/zinc/42/60/87/1070426087.db2.gz QPSGWGMWMCPVCP-SANMLTNESA-N 1 1 459.841 3.745 20 0 JHADMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001308726405 1070426124 /nfs/dbraw/zinc/42/61/24/1070426124.db2.gz GRLSWAMJHXCNQU-KRWDZBQOSA-N 1 1 453.414 3.818 20 0 JHADMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001308726405 1070426127 /nfs/dbraw/zinc/42/61/27/1070426127.db2.gz GRLSWAMJHXCNQU-KRWDZBQOSA-N 1 1 453.414 3.818 20 0 JHADMO CCOCCN1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1CC ZINC001314499692 1070428011 /nfs/dbraw/zinc/42/80/11/1070428011.db2.gz DKHJBWJGOVSGHQ-RUZDIDTESA-N 1 1 496.744 3.903 20 0 JHADMO CC(=O)N(c1nc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cs1)c1ccccc1 ZINC001308747028 1070430062 /nfs/dbraw/zinc/43/00/62/1070430062.db2.gz UMSGLBFSYVYQCJ-QPPBQGQZSA-N 1 1 450.608 3.800 20 0 JHADMO CCn1c(Br)c(Br)nc1CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC001308753251 1070430933 /nfs/dbraw/zinc/43/09/33/1070430933.db2.gz MXJUERGIEQVVKU-OAHLLOKOSA-N 1 1 456.226 3.787 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1CC ZINC001314500430 1070431715 /nfs/dbraw/zinc/43/17/15/1070431715.db2.gz UVIJCHNNVRIUSD-LJQANCHMSA-N 1 1 466.552 3.945 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc(C3CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CC ZINC001314500738 1070432347 /nfs/dbraw/zinc/43/23/47/1070432347.db2.gz XGWWFADFYJXBRO-JOCHJYFZSA-N 1 1 488.677 3.660 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1CC ZINC001314501930 1070436007 /nfs/dbraw/zinc/43/60/07/1070436007.db2.gz TYVPFKFNBOOAQR-SJORKVTESA-N 1 1 499.553 3.714 20 0 JHADMO C[N@H+](Cc1ccccc1Oc1ccc(Br)cc1F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001308781276 1070437269 /nfs/dbraw/zinc/43/72/69/1070437269.db2.gz GELULKSIBPIQQN-INIZCTEOSA-N 1 1 457.365 3.846 20 0 JHADMO C[N@@H+](Cc1ccccc1Oc1ccc(Br)cc1F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001308781276 1070437279 /nfs/dbraw/zinc/43/72/79/1070437279.db2.gz GELULKSIBPIQQN-INIZCTEOSA-N 1 1 457.365 3.846 20 0 JHADMO C[N@H+](Cc1ccccc1Oc1ccc(Br)cc1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001308781277 1070437433 /nfs/dbraw/zinc/43/74/33/1070437433.db2.gz GELULKSIBPIQQN-MRXNPFEDSA-N 1 1 457.365 3.846 20 0 JHADMO C[N@@H+](Cc1ccccc1Oc1ccc(Br)cc1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001308781277 1070437438 /nfs/dbraw/zinc/43/74/38/1070437438.db2.gz GELULKSIBPIQQN-MRXNPFEDSA-N 1 1 457.365 3.846 20 0 JHADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(F)c(F)c2F)C[C@@H]1CC ZINC001314502575 1070437432 /nfs/dbraw/zinc/43/74/32/1070437432.db2.gz BQCBYXJUYUBYFF-AZUAARDMSA-N 1 1 481.563 3.727 20 0 JHADMO CCOCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCCCC2)CC1 ZINC001314504418 1070444644 /nfs/dbraw/zinc/44/46/44/1070444644.db2.gz XWFNVDMBQABGEY-SZPZYZBQSA-N 1 1 490.693 3.788 20 0 JHADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001313469571 1070452991 /nfs/dbraw/zinc/45/29/91/1070452991.db2.gz XGWOQBGHITUSJT-LEWJYISDSA-N 1 1 482.673 3.817 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001314507337 1070453721 /nfs/dbraw/zinc/45/37/21/1070453721.db2.gz HCGGTDCUNCYHCC-NRFANRHFSA-N 1 1 473.687 3.644 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001314507337 1070453727 /nfs/dbraw/zinc/45/37/27/1070453727.db2.gz HCGGTDCUNCYHCC-NRFANRHFSA-N 1 1 473.687 3.644 20 0 JHADMO COCCNS(=O)(=O)c1cccc(NC[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001308887214 1070454933 /nfs/dbraw/zinc/45/49/33/1070454933.db2.gz UFBDWAODGQQLIH-RUZDIDTESA-N 1 1 459.656 3.962 20 0 JHADMO CCOC(=O)[C@]1(C[NH2+]Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCCOC1 ZINC001308888190 1070455004 /nfs/dbraw/zinc/45/50/04/1070455004.db2.gz WQOJTLAHUHRWMH-NRFANRHFSA-N 1 1 451.976 3.931 20 0 JHADMO CCS(=O)(=O)C1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314508156 1070457266 /nfs/dbraw/zinc/45/72/66/1070457266.db2.gz NQWVMICKHLQFTO-HXUWFJFHSA-N 1 1 461.676 3.716 20 0 JHADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc32)n1CCCn1cc[nH+]c1C ZINC001314515453 1070486050 /nfs/dbraw/zinc/48/60/50/1070486050.db2.gz GUBIDOLABCKOFN-IBGZPJMESA-N 1 1 495.653 3.656 20 0 JHADMO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313479038 1070489995 /nfs/dbraw/zinc/48/99/95/1070489995.db2.gz LMGSWEVGHJRKGN-UNMCSNQZSA-N 1 1 463.630 3.679 20 0 JHADMO 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 1070507288 /nfs/dbraw/zinc/50/72/88/1070507288.db2.gz ZXLFKXLNKOVXLG-ZCNNSNEGSA-N 1 1 486.686 3.806 20 0 JHADMO CCCNC(=O)Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001313492195 1070512679 /nfs/dbraw/zinc/51/26/79/1070512679.db2.gz AKAGGBSEBQXHHS-NZQKXSOJSA-N 1 1 452.647 3.951 20 0 JHADMO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313493246 1070514413 /nfs/dbraw/zinc/51/44/13/1070514413.db2.gz WZIZUKKCIIGANW-RTWAWAEBSA-N 1 1 468.646 3.571 20 0 JHADMO CCS(=O)(=O)CCN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001314524596 1070516962 /nfs/dbraw/zinc/51/69/62/1070516962.db2.gz DCAIVBGRZYKZJR-HSZRJFAPSA-N 1 1 473.687 3.952 20 0 JHADMO CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001314528586 1070521522 /nfs/dbraw/zinc/52/15/22/1070521522.db2.gz AJRPWDHAFMEGIP-UHFFFAOYSA-N 1 1 498.068 3.873 20 0 JHADMO O=S(=O)(Cc1ccc(Cl)cc1Br)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001309076929 1070525578 /nfs/dbraw/zinc/52/55/78/1070525578.db2.gz UCKHFQKSQYWMPZ-UHFFFAOYSA-N 1 1 458.809 3.582 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001313503487 1070533578 /nfs/dbraw/zinc/53/35/78/1070533578.db2.gz IIJGYIJKNIMOJY-HXUWFJFHSA-N 1 1 498.672 3.579 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)n2CC(C)C)cc1OC ZINC001313503124 1070531959 /nfs/dbraw/zinc/53/19/59/1070531959.db2.gz BWAXUFUPWGSGKF-QFIPXVFZSA-N 1 1 470.662 3.615 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001313503375 1070532994 /nfs/dbraw/zinc/53/29/94/1070532994.db2.gz PHWSLQKZAUUNOG-FQRUVTKNSA-N 1 1 471.646 3.682 20 0 JHADMO CCCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001313503366 1070533179 /nfs/dbraw/zinc/53/31/79/1070533179.db2.gz PFPITVAFUSCYIO-RBBKRZOGSA-N 1 1 471.646 3.946 20 0 JHADMO CCS(=O)(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314538214 1070533306 /nfs/dbraw/zinc/53/33/06/1070533306.db2.gz LKDMYBAQSUZYLR-FQEVSTJZSA-N 1 1 496.766 3.628 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001313503878 1070535427 /nfs/dbraw/zinc/53/54/27/1070535427.db2.gz UNECGEKREIXPOX-SFTDATJTSA-N 1 1 484.689 3.861 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001313503878 1070535442 /nfs/dbraw/zinc/53/54/42/1070535442.db2.gz UNECGEKREIXPOX-SFTDATJTSA-N 1 1 484.689 3.861 20 0 JHADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001313503878 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ZINC001314747216 1070994891 /nfs/dbraw/zinc/99/48/91/1070994891.db2.gz YYLIFEYBVCEXGP-IBGZPJMESA-N 1 1 492.462 3.682 20 0 JHADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001314749299 1070999545 /nfs/dbraw/zinc/99/95/45/1070999545.db2.gz PCDVRNIVUJZJMZ-UHFFFAOYSA-N 1 1 487.714 3.749 20 0 JHADMO COc1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1OC ZINC001309916264 1071016086 /nfs/dbraw/zinc/01/60/86/1071016086.db2.gz VSFMTMPTWZSRHY-FCHUYYIVSA-N 1 1 452.576 3.650 20 0 JHADMO CN(Cc1ccsc1)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314769391 1071031330 /nfs/dbraw/zinc/03/13/30/1071031330.db2.gz MRRDNTTVRLXULD-UHFFFAOYSA-N 1 1 459.591 3.805 20 0 JHADMO CN(Cc1ccsc1)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314769391 1071031336 /nfs/dbraw/zinc/03/13/36/1071031336.db2.gz MRRDNTTVRLXULD-UHFFFAOYSA-N 1 1 459.591 3.805 20 0 JHADMO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001313726634 1071035199 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/nfs/dbraw/zinc/05/34/98/1071053498.db2.gz MHMBESPUNYHPCK-TZIWHRDSSA-N 1 1 491.677 3.856 20 0 JHADMO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001313733651 1071052563 /nfs/dbraw/zinc/05/25/63/1071052563.db2.gz HTHVORWFNIXKLW-FYYLOGMGSA-N 1 1 459.610 3.695 20 0 JHADMO CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCC[C@H]1C ZINC001313740233 1071065099 /nfs/dbraw/zinc/06/50/99/1071065099.db2.gz GGVMJJSIOSVJFL-LJQANCHMSA-N 1 1 452.628 3.780 20 0 JHADMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001310020652 1071065589 /nfs/dbraw/zinc/06/55/89/1071065589.db2.gz ZWKQWTFYODXPFW-JOCHJYFZSA-N 1 1 458.628 3.844 20 0 JHADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)[C@H]1c1cccs1 ZINC001310029222 1071071872 /nfs/dbraw/zinc/07/18/72/1071071872.db2.gz OKDOKTUAIHOWTR-MBSDFSHPSA-N 1 1 456.612 3.954 20 0 JHADMO CN(CC1CCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314792675 1071070660 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/nfs/dbraw/zinc/10/65/23/1071106523.db2.gz UGXSDPIVOKRPOA-HXUWFJFHSA-N 1 1 457.596 3.808 20 0 JHADMO CCN(CC1CC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001313760059 1071106551 /nfs/dbraw/zinc/10/65/51/1071106551.db2.gz DEDHGAGNLQFDGY-UHFFFAOYSA-N 1 1 452.647 3.643 20 0 JHADMO CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314812637 1071110682 /nfs/dbraw/zinc/11/06/82/1071110682.db2.gz BCHMZILBELIOAG-NRFANRHFSA-N 1 1 485.673 3.738 20 0 JHADMO CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001314812637 1071110684 /nfs/dbraw/zinc/11/06/84/1071110684.db2.gz BCHMZILBELIOAG-NRFANRHFSA-N 1 1 485.673 3.738 20 0 JHADMO Cc1c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC001310093559 1071115932 /nfs/dbraw/zinc/11/59/32/1071115932.db2.gz VZRAOYRFPZDGPC-WOJBJXKFSA-N 1 1 473.499 3.669 20 0 JHADMO Cc1c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC001310093559 1071115938 /nfs/dbraw/zinc/11/59/38/1071115938.db2.gz VZRAOYRFPZDGPC-WOJBJXKFSA-N 1 1 473.499 3.669 20 0 JHADMO COc1cc(NC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1OC ZINC001310104301 1071119354 /nfs/dbraw/zinc/11/93/54/1071119354.db2.gz SFQZYLOBDBURHA-IQGLISFBSA-N 1 1 455.555 3.610 20 0 JHADMO COc1cc(NC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1OC ZINC001310104301 1071119365 /nfs/dbraw/zinc/11/93/65/1071119365.db2.gz SFQZYLOBDBURHA-IQGLISFBSA-N 1 1 455.555 3.610 20 0 JHADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001313772208 1071124070 /nfs/dbraw/zinc/12/40/70/1071124070.db2.gz PKYQGRWAKWFZHC-RTWAWAEBSA-N 1 1 488.652 3.589 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001313773066 1071126184 /nfs/dbraw/zinc/12/61/84/1071126184.db2.gz XYAHSMVGUAIETG-CRAIPNDOSA-N 1 1 465.440 3.534 20 0 JHADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001313776290 1071133993 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/nfs/dbraw/zinc/17/76/13/1071177613.db2.gz YDHYEONWMYDQRN-FYYLOGMGSA-N 1 1 454.546 3.754 20 0 JHADMO Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)n2)ccc1F ZINC001310175178 1071180871 /nfs/dbraw/zinc/18/08/71/1071180871.db2.gz VKGICVMVACWXHR-KRWDZBQOSA-N 1 1 453.518 3.942 20 0 JHADMO COCCOc1ccc(NC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc1F ZINC001310188442 1071193773 /nfs/dbraw/zinc/19/37/73/1071193773.db2.gz NPTIOICGPVRRCI-CLOONOSVSA-N 1 1 457.546 3.748 20 0 JHADMO COCCOc1ccc(NC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc1F ZINC001310188442 1071193784 /nfs/dbraw/zinc/19/37/84/1071193784.db2.gz NPTIOICGPVRRCI-CLOONOSVSA-N 1 1 457.546 3.748 20 0 JHADMO CC(C)COC(=O)Nc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC001310192983 1071198886 /nfs/dbraw/zinc/19/88/86/1071198886.db2.gz ILGYFJXDCFMZGB-IBGZPJMESA-N 1 1 454.575 3.618 20 0 JHADMO CN(CCCCCO)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314844883 1071199667 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CCn1cc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CCO2)cn1 ZINC001313834036 1071309935 /nfs/dbraw/zinc/30/99/35/1071309935.db2.gz KAZJMGOCWKDSDS-SFTDATJTSA-N 1 1 457.667 3.781 20 0 JHADMO CC(=O)N(Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)cc1)C1CC1 ZINC001310328140 1071310155 /nfs/dbraw/zinc/31/01/55/1071310155.db2.gz SLMXWBKQYVHCOX-RUZDIDTESA-N 1 1 450.583 3.528 20 0 JHADMO CC(=O)N(Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)cc1)C1CC1 ZINC001310328140 1071310172 /nfs/dbraw/zinc/31/01/72/1071310172.db2.gz SLMXWBKQYVHCOX-RUZDIDTESA-N 1 1 450.583 3.528 20 0 JHADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@H]1c1cccs1 ZINC001310343561 1071326291 /nfs/dbraw/zinc/32/62/91/1071326291.db2.gz ZQSFIRCSCHUMKO-UGSOOPFHSA-N 1 1 457.021 3.978 20 0 JHADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cnccn2)n1CCCC(C)(C)C ZINC001314893027 1071323323 /nfs/dbraw/zinc/32/33/23/1071323323.db2.gz NGULOACXQHQXQN-SIKLNZKXSA-N 1 1 465.650 3.814 20 0 JHADMO 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ZINC001313858103 1071358514 /nfs/dbraw/zinc/35/85/14/1071358514.db2.gz GFDSKCLQINVDFG-UXHICEINSA-N 1 1 458.676 3.577 20 0 JHADMO CCc1c(NC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)cnn1CCC(C)C ZINC001310387197 1071359451 /nfs/dbraw/zinc/35/94/51/1071359451.db2.gz XIHXTKILDFDXGX-UHFFFAOYSA-N 1 1 454.619 3.842 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313858346 1071359882 /nfs/dbraw/zinc/35/98/82/1071359882.db2.gz APUBNGJDOQQKGW-CABCVRRESA-N 1 1 490.425 3.856 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313857870 1071357237 /nfs/dbraw/zinc/35/72/37/1071357237.db2.gz DITSUKLMWIWCQH-IRXDYDNUSA-N 1 1 487.530 3.911 20 0 JHADMO CN(C[C@H]1CC=CCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314922935 1071366024 /nfs/dbraw/zinc/36/60/24/1071366024.db2.gz MPHPIVKMHAYYSE-KSFYIVLOSA-N 1 1 478.410 3.706 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCCCO)C[C@H]1C ZINC001313859471 1071363712 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1071365562 /nfs/dbraw/zinc/36/55/62/1071365562.db2.gz AIZUYROQDALCFO-QHCPKHFHSA-N 1 1 492.462 3.558 20 0 JHADMO 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 1071366704 /nfs/dbraw/zinc/36/67/04/1071366704.db2.gz GFLLMYNAVSIFNP-ZIFCJYIRSA-N 1 1 472.638 3.646 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314924418 1071367230 /nfs/dbraw/zinc/36/72/30/1071367230.db2.gz NRBYXXBDOOIPBF-NZQKXSOJSA-N 1 1 496.700 3.977 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314925035 1071367576 /nfs/dbraw/zinc/36/75/76/1071367576.db2.gz QZNBJCFOQZVKPR-VQTJNVASSA-N 1 1 481.563 3.788 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001314924419 1071367664 /nfs/dbraw/zinc/36/76/64/1071367664.db2.gz NRBYXXBDOOIPBF-REWPJTCUSA-N 1 1 496.700 3.977 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001314926259 1071369578 /nfs/dbraw/zinc/36/95/78/1071369578.db2.gz DNKRTWRTUNPDHE-OAQYLSRUSA-N 1 1 470.637 3.979 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313860777 1071370802 /nfs/dbraw/zinc/37/08/02/1071370802.db2.gz LITSATBDUIYSJJ-YESZJQIVSA-N 1 1 469.552 3.581 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863675 1071382456 /nfs/dbraw/zinc/38/24/56/1071382456.db2.gz WJWFYYOWEQSYGP-RTWAWAEBSA-N 1 1 478.645 3.661 20 0 JHADMO 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 1071380807 /nfs/dbraw/zinc/38/08/07/1071380807.db2.gz SUMVBXQFAFSAAP-ILXRZTDVSA-N 1 1 473.515 3.526 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313863868 1071383934 /nfs/dbraw/zinc/38/39/34/1071383934.db2.gz ULDARUGSQSMAOD-LNLFQRSKSA-N 1 1 455.582 3.566 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313864015 1071385303 /nfs/dbraw/zinc/38/53/03/1071385303.db2.gz LHNDFRXYFVMWAR-JKSUJKDBSA-N 1 1 490.425 3.742 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313864539 1071386952 /nfs/dbraw/zinc/38/69/52/1071386952.db2.gz FZJBQOPKGIAGHM-DLBZAZTESA-N 1 1 471.005 3.978 20 0 JHADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314937442 1071387979 /nfs/dbraw/zinc/38/79/79/1071387979.db2.gz VODBRDLVURKCFF-FQEVSTJZSA-N 1 1 496.059 3.724 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313865470 1071392464 /nfs/dbraw/zinc/39/24/64/1071392464.db2.gz BAFHMHMTNCMBCK-MSOLQXFVSA-N 1 1 455.557 3.758 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@@H]1C ZINC001313865024 1071390149 /nfs/dbraw/zinc/39/01/49/1071390149.db2.gz NOGBQNDTWDVVFU-UONOGXRCSA-N 1 1 462.421 3.526 20 0 JHADMO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001310447424 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/nfs/dbraw/zinc/57/53/92/1071575392.db2.gz BWKQDBVTQCBOMU-FQEVSTJZSA-N 1 1 460.642 3.547 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927241 1071579295 /nfs/dbraw/zinc/57/92/95/1071579295.db2.gz JITIXGCFDVLYOP-FQEVSTJZSA-N 1 1 460.617 3.866 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927609 1071580798 /nfs/dbraw/zinc/58/07/98/1071580798.db2.gz KQTFLJCCFVLEDR-KDYSTLNUSA-N 1 1 486.680 3.675 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927861 1071581941 /nfs/dbraw/zinc/58/19/41/1071581941.db2.gz PKRCZOXRBBYQGN-MYDTUXCISA-N 1 1 492.778 3.945 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C[C@@H]1C ZINC001313931679 1071592722 /nfs/dbraw/zinc/59/27/22/1071592722.db2.gz SDEQTRXMLLUGLL-GAJHUEQPSA-N 1 1 477.078 3.678 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@H]1C ZINC001313932771 1071596169 /nfs/dbraw/zinc/59/61/69/1071596169.db2.gz IXGWXHMHFCEGCH-GJZUVCINSA-N 1 1 455.647 3.709 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC001313933218 1071596902 /nfs/dbraw/zinc/59/69/02/1071596902.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 1 1 491.478 3.731 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC001313933218 1071596905 /nfs/dbraw/zinc/59/69/05/1071596905.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 1 1 491.478 3.731 20 0 JHADMO COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001315084152 1071592740 /nfs/dbraw/zinc/59/27/40/1071592740.db2.gz IKYBANONNYCWFE-OAQYLSRUSA-N 1 1 469.630 3.738 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313934168 1071600980 /nfs/dbraw/zinc/60/09/80/1071600980.db2.gz PUCAZMHBAZCRKX-KRWDZBQOSA-N 1 1 487.530 3.717 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001313934329 1071601622 /nfs/dbraw/zinc/60/16/22/1071601622.db2.gz RHZWCKYXUDKYOI-KUHUBIRLSA-N 1 1 466.399 3.802 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934719 1071602990 /nfs/dbraw/zinc/60/29/90/1071602990.db2.gz VCVCCTUTSYJMJP-AVRDEDQJSA-N 1 1 452.603 3.688 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313934494 1071603050 /nfs/dbraw/zinc/60/30/50/1071603050.db2.gz AKRCEMZUVQUYSH-QGZVFWFLSA-N 1 1 479.442 3.863 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313935093 1071604722 /nfs/dbraw/zinc/60/47/22/1071604722.db2.gz WGFWQZIHRWZYEN-AWEZNQCLSA-N 1 1 480.361 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CCCC2)C[C@@H]1C ZINC001313935145 1071604848 /nfs/dbraw/zinc/60/48/48/1071604848.db2.gz XNXSJBLOMFENEL-FQEVSTJZSA-N 1 1 488.702 3.696 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609751 /nfs/dbraw/zinc/60/97/51/1071609751.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 1 1 470.662 3.613 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609755 /nfs/dbraw/zinc/60/97/55/1071609755.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 1 1 470.662 3.613 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCC2)C[C@H]1C ZINC001313935755 1071606699 /nfs/dbraw/zinc/60/66/99/1071606699.db2.gz YEQMISVQPNUPLP-LJQANCHMSA-N 1 1 457.619 3.700 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607257 /nfs/dbraw/zinc/60/72/57/1071607257.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 1 1 454.663 3.996 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607260 /nfs/dbraw/zinc/60/72/60/1071607260.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 1 1 454.663 3.996 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)C[C@H]1C ZINC001313936317 1071607845 /nfs/dbraw/zinc/60/78/45/1071607845.db2.gz DFNIYBFMYKCOKC-RTBURBONSA-N 1 1 458.607 3.564 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)C2CC2)C[C@@H]1C ZINC001313936656 1071609094 /nfs/dbraw/zinc/60/90/94/1071609094.db2.gz HJOOMXFDFYSLTP-PZJWPPBQSA-N 1 1 490.693 3.943 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](SC)C(C)(C)C)C[C@H]1C ZINC001313937303 1071610754 /nfs/dbraw/zinc/61/07/54/1071610754.db2.gz LBJTVVIDKUMKEE-TZIWHRDSSA-N 1 1 486.734 3.760 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001313937452 1071610783 /nfs/dbraw/zinc/61/07/83/1071610783.db2.gz UODQKZVVCVKAKS-JLJPHGGASA-N 1 1 452.372 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313937493 1071611378 /nfs/dbraw/zinc/61/13/78/1071611378.db2.gz VIBOHNZSWJHKCO-RTBURBONSA-N 1 1 472.634 3.645 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313940530 1071615564 /nfs/dbraw/zinc/61/55/64/1071615564.db2.gz NDBTZLPSDISBDG-IBGZPJMESA-N 1 1 488.558 3.978 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313938512 1071612104 /nfs/dbraw/zinc/61/21/04/1071612104.db2.gz JXLUULDKGZBINR-GOSISDBHSA-N 1 1 480.579 3.758 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313940798 1071615601 /nfs/dbraw/zinc/61/56/01/1071615601.db2.gz YTHAZCAPXVYLLI-GOSISDBHSA-N 1 1 471.005 3.597 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001313941184 1071616289 /nfs/dbraw/zinc/61/62/89/1071616289.db2.gz AHKXHYQDZIOAEB-NRFANRHFSA-N 1 1 463.630 3.514 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccs2)C[C@@H]1C ZINC001313941430 1071617061 /nfs/dbraw/zinc/61/70/61/1071617061.db2.gz CWPUOMNFPVSCKA-HNNXBMFYSA-N 1 1 477.432 3.655 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC(C)C)c2ccccc2OC)C[C@@H]1C ZINC001313942079 1071619627 /nfs/dbraw/zinc/61/96/27/1071619627.db2.gz YXXJWCYICIUQNZ-SQJMNOBHSA-N 1 1 478.641 3.969 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313942222 1071619665 /nfs/dbraw/zinc/61/96/65/1071619665.db2.gz OIWBAAXXNMENCC-FQEVSTJZSA-N 1 1 464.614 3.829 20 0 JHADMO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313942378 1071620155 /nfs/dbraw/zinc/62/01/55/1071620155.db2.gz IFAUDUCJDMJYMJ-PKTZIBPZSA-N 1 1 478.689 3.800 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Sc2ccccc2)C[C@H]1C ZINC001313943067 1071621895 /nfs/dbraw/zinc/62/18/95/1071621895.db2.gz PDHIQQCMKYALEP-NHCUHLMSSA-N 1 1 453.660 3.851 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313945533 1071626758 /nfs/dbraw/zinc/62/67/58/1071626758.db2.gz IYOAPJPEWHTTPR-MOPGFXCFSA-N 1 1 474.625 3.699 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945823 1071627357 /nfs/dbraw/zinc/62/73/57/1071627357.db2.gz URMGRQSGNAXZPL-LJQANCHMSA-N 1 1 476.467 3.608 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313945771 1071627413 /nfs/dbraw/zinc/62/74/13/1071627413.db2.gz KSKLOPUNCBMFJE-KRWDZBQOSA-N 1 1 471.005 3.513 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313943472 1071623210 /nfs/dbraw/zinc/62/32/10/1071623210.db2.gz STGSUYWAMVZXJF-JTSKRJEESA-N 1 1 451.537 3.916 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629787 /nfs/dbraw/zinc/62/97/87/1071629787.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 1 1 468.690 3.776 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629793 /nfs/dbraw/zinc/62/97/93/1071629793.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 1 1 468.690 3.776 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313946838 1071630495 /nfs/dbraw/zinc/63/04/95/1071630495.db2.gz CXRSKLLEZXSTBI-FQEVSTJZSA-N 1 1 486.686 3.512 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001313947419 1071631729 /nfs/dbraw/zinc/63/17/29/1071631729.db2.gz HARVFOLXZNAHPN-MHECFPHRSA-N 1 1 459.660 3.925 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)C[C@H]1C ZINC001313947461 1071632355 /nfs/dbraw/zinc/63/23/55/1071632355.db2.gz HJQZXJPXXNPUAY-MRXNPFEDSA-N 1 1 476.050 3.834 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC001313948187 1071633400 /nfs/dbraw/zinc/63/34/00/1071633400.db2.gz JYXGTYAUGVXHLN-NJDAHSKKSA-N 1 1 457.619 3.601 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001313948680 1071634622 /nfs/dbraw/zinc/63/46/22/1071634622.db2.gz FOYOJMXOXFPXOM-FQEVSTJZSA-N 1 1 472.678 3.904 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635745 /nfs/dbraw/zinc/63/57/45/1071635745.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 1 1 486.730 3.766 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635749 /nfs/dbraw/zinc/63/57/49/1071635749.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 1 1 486.730 3.766 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001313950793 1071640017 /nfs/dbraw/zinc/64/00/17/1071640017.db2.gz QRKYKACPGQENSL-HXUWFJFHSA-N 1 1 480.661 3.670 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313951409 1071641663 /nfs/dbraw/zinc/64/16/63/1071641663.db2.gz TUZBCJFLQQBFCW-IBGZPJMESA-N 1 1 458.651 3.514 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001313952332 1071645276 /nfs/dbraw/zinc/64/52/76/1071645276.db2.gz DTKTVBMYXIJIMA-SFHVURJKSA-N 1 1 467.584 3.716 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951795 1071643571 /nfs/dbraw/zinc/64/35/71/1071643571.db2.gz WIHJVYPGAXADNQ-OAQYLSRUSA-N 1 1 452.647 3.553 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952525 1071645819 /nfs/dbraw/zinc/64/58/19/1071645819.db2.gz RJRQOGDGHNKMQM-LADGPHEKSA-N 1 1 468.690 3.817 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS[C@H](C)C2)CC1 ZINC001313952776 1071647071 /nfs/dbraw/zinc/64/70/71/1071647071.db2.gz CFMGFLYJPKVWPK-LJQANCHMSA-N 1 1 493.121 3.967 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313953317 1071648313 /nfs/dbraw/zinc/64/83/13/1071648313.db2.gz XMKMKSVQOWEGCH-DNVJHFABSA-N 1 1 462.727 3.953 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313953713 1071649597 /nfs/dbraw/zinc/64/95/97/1071649597.db2.gz ILRKUQQDIBBHKB-QHCPKHFHSA-N 1 1 485.696 3.749 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313953898 1071650007 /nfs/dbraw/zinc/65/00/07/1071650007.db2.gz KSULKIFSWVJWFS-DHIUTWEWSA-N 1 1 468.690 3.920 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313953900 1071650087 /nfs/dbraw/zinc/65/00/87/1071650087.db2.gz KSULKIFSWVJWFS-PKTZIBPZSA-N 1 1 468.690 3.920 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313954660 1071652439 /nfs/dbraw/zinc/65/24/39/1071652439.db2.gz UBAWIVZIPVTECN-UHFFFAOYSA-N 1 1 465.484 3.842 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313954715 1071652502 /nfs/dbraw/zinc/65/25/02/1071652502.db2.gz PECOEJLSHWZRMC-LEWJYISDSA-N 1 1 475.081 3.877 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313954900 1071653596 /nfs/dbraw/zinc/65/35/96/1071653596.db2.gz WXPKNGNCUSOLPW-HSZRJFAPSA-N 1 1 486.730 3.833 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313955010 1071653661 /nfs/dbraw/zinc/65/36/61/1071653661.db2.gz DEMAGBCUGPLEJF-ZCYQVOJMSA-N 1 1 498.716 3.690 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC001313954890 1071653686 /nfs/dbraw/zinc/65/36/86/1071653686.db2.gz WJTAAMBFJUOFQU-GMAHTHKFSA-N 1 1 474.719 3.922 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313955849 1071656636 /nfs/dbraw/zinc/65/66/36/1071656636.db2.gz IVADBBOSSQYSPO-PWRODBHTSA-N 1 1 474.644 3.903 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313957015 1071658808 /nfs/dbraw/zinc/65/88/08/1071658808.db2.gz AWURYRYILQVQHH-MRXNPFEDSA-N 1 1 499.548 3.738 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313957798 1071661193 /nfs/dbraw/zinc/66/11/93/1071661193.db2.gz IVXRDENQKDUHEH-OAQYLSRUSA-N 1 1 463.095 3.958 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313957902 1071661773 /nfs/dbraw/zinc/66/17/73/1071661773.db2.gz RYPYDNSLZSZJET-LJQANCHMSA-N 1 1 460.617 3.591 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313960171 1071669397 /nfs/dbraw/zinc/66/93/97/1071669397.db2.gz FIQGCVIQOJACOK-UHFFFAOYSA-N 1 1 484.689 3.587 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313961080 1071671711 /nfs/dbraw/zinc/67/17/11/1071671711.db2.gz QBZGGNSBVXGFCI-LEWJYISDSA-N 1 1 458.626 3.506 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313961626 1071673408 /nfs/dbraw/zinc/67/34/08/1071673408.db2.gz VKYRYCURIGMSLL-UHFFFAOYSA-N 1 1 456.654 3.908 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001313961588 1071673547 /nfs/dbraw/zinc/67/35/47/1071673547.db2.gz VTVWFBRXQZQWJV-KRWDZBQOSA-N 1 1 472.531 3.583 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001313961947 1071673839 /nfs/dbraw/zinc/67/38/39/1071673839.db2.gz ZYFIUGKZRLTBLC-XMMPIXPASA-N 1 1 468.690 3.984 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001313964474 1071680621 /nfs/dbraw/zinc/68/06/21/1071680621.db2.gz ZFHNNZAOGJPXQH-NRFANRHFSA-N 1 1 496.700 3.563 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313966871 1071687836 /nfs/dbraw/zinc/68/78/36/1071687836.db2.gz GRHWARMTTWGEJW-UHFFFAOYSA-N 1 1 477.657 3.966 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001313974076 1071701984 /nfs/dbraw/zinc/70/19/84/1071701984.db2.gz OLVGFWDPYPTBSL-OFNKIYASSA-N 1 1 466.674 3.882 20 0 JHADMO CCNC(=O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001313982589 1071719258 /nfs/dbraw/zinc/71/92/58/1071719258.db2.gz CAUSMVLJHVUZON-XMMPIXPASA-N 1 1 482.673 3.874 20 0 JHADMO CCNC(=O)c1cccc(Cn2c(N3CCC(C[N@@H+](C)C(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001313987244 1071724868 /nfs/dbraw/zinc/72/48/68/1071724868.db2.gz KLWJXXUOACKILY-UHFFFAOYSA-N 1 1 454.663 3.930 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001313996173 1071732537 /nfs/dbraw/zinc/73/25/37/1071732537.db2.gz SFCRUMIZWSREQV-OALUTQOASA-N 1 1 492.068 3.653 20 0 JHADMO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001313996172 1071732611 /nfs/dbraw/zinc/73/26/11/1071732611.db2.gz SFCRUMIZWSREQV-MOPGFXCFSA-N 1 1 492.068 3.653 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001314019057 1071767381 /nfs/dbraw/zinc/76/73/81/1071767381.db2.gz DDSBSTSVQMWJQM-UHFFFAOYSA-N 1 1 465.602 3.502 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001314027281 1071792297 /nfs/dbraw/zinc/79/22/97/1071792297.db2.gz DNWRCBRNHSQYDD-VQTJNVASSA-N 1 1 458.607 3.682 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC[N@@H+](CC)CCC(F)(F)F)C1 ZINC001314028273 1071794656 /nfs/dbraw/zinc/79/46/56/1071794656.db2.gz CFXOIWUCMKFJPV-INIZCTEOSA-N 1 1 462.561 3.565 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001314037083 1071829653 /nfs/dbraw/zinc/82/96/53/1071829653.db2.gz JVDZMSTULZPQJI-PKTZIBPZSA-N 1 1 486.636 3.987 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001314044257 1071855866 /nfs/dbraw/zinc/85/58/66/1071855866.db2.gz FSVRDPFAUGTBFU-PZJWPPBQSA-N 1 1 489.690 3.613 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001314053922 1071877210 /nfs/dbraw/zinc/87/72/10/1071877210.db2.gz DIIXHNOLPUBVGO-GGAORHGYSA-N 1 1 471.646 3.528 20 0 JHADMO CCOC(C)(C)Cn1c(N2CC[NH+](Cc3cccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001314055657 1071882296 /nfs/dbraw/zinc/88/22/96/1071882296.db2.gz RAPFAXNPAGREKA-XMMPIXPASA-N 1 1 477.675 3.518 20 0 JHADMO CCOC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001314054530 1071879048 /nfs/dbraw/zinc/87/90/48/1071879048.db2.gz JHCBIRRXBVXNRS-SANMLTNESA-N 1 1 471.646 3.590 20 0 JHADMO 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 1071888055 /nfs/dbraw/zinc/88/80/55/1071888055.db2.gz TVPVIJCPEDPAMX-LUGTWXOSSA-N 1 1 476.710 3.622 20 0 JHADMO CCO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001314060720 1071896258 /nfs/dbraw/zinc/89/62/58/1071896258.db2.gz QQPMEJIGIYZHEO-SESVDKBCSA-N 1 1 474.675 3.625 20 0 JHADMO CCO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC001314060715 1071896517 /nfs/dbraw/zinc/89/65/17/1071896517.db2.gz QQPMEJIGIYZHEO-HLAWJBBLSA-N 1 1 474.675 3.625 20 0 JHADMO CCO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001314062767 1071902411 /nfs/dbraw/zinc/90/24/11/1071902411.db2.gz MBPBYOABSWAIQW-MJGOQNOKSA-N 1 1 468.606 3.577 20 0 JHADMO CCO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001314065759 1071912112 /nfs/dbraw/zinc/91/21/12/1071912112.db2.gz SBHXFIIJNZSUET-DEOSSOPVSA-N 1 1 465.646 3.842 20 0 JHADMO CCO[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC001314075191 1071931395 /nfs/dbraw/zinc/93/13/95/1071931395.db2.gz PLVCALYTMYKITR-MOUTVQLLSA-N 1 1 491.721 3.949 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CC[N@@H+](CC)C2)CCOC1 ZINC001314080835 1071942638 /nfs/dbraw/zinc/94/26/38/1071942638.db2.gz GNOBKVXXTLCPOX-WMZHIEFXSA-N 1 1 481.563 3.927 20 0 JHADMO CCO[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001314082647 1071946654 /nfs/dbraw/zinc/94/66/54/1071946654.db2.gz NGTKEEXOVRPOFP-DHLKQENFSA-N 1 1 492.064 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001314085730 1071955040 /nfs/dbraw/zinc/95/50/40/1071955040.db2.gz WRAKPTFLCIFRNN-NFBKMPQASA-N 1 1 481.563 3.983 20 0 JHADMO CCO[C@]1(c2nnc(N(C)C/C(C)=C/c3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CCOC1 ZINC001314085911 1071955640 /nfs/dbraw/zinc/95/56/40/1071955640.db2.gz QYTFFMIAXVRRSJ-FRFAPOFNSA-N 1 1 453.631 3.954 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093933 1071971975 /nfs/dbraw/zinc/97/19/75/1071971975.db2.gz INYQRRXYGXTTSI-HKARXFIJSA-N 1 1 466.001 3.690 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001314099101 1071980926 /nfs/dbraw/zinc/98/09/26/1071980926.db2.gz PVNAOPLAGUBKQT-IDISGSTGSA-N 1 1 485.673 3.845 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC(CC)(CC)SC)CCOC1 ZINC001314106269 1071997311 /nfs/dbraw/zinc/99/73/11/1071997311.db2.gz PBJQSEORTGLYPZ-SFYKDHMMSA-N 1 1 451.681 3.525 20 0 JHADMO CCO[C@@]1(c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCOC(C)(C)C)CCOC1 ZINC001314108084 1072000460 /nfs/dbraw/zinc/00/04/60/1072000460.db2.gz UERBANDRPYXQNL-CUNXSJBXSA-N 1 1 485.673 3.846 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@@H+](CC)C2CC2)CCOC1 ZINC001314112920 1072008157 /nfs/dbraw/zinc/00/81/57/1072008157.db2.gz NCWBOXNPSOLFJY-NRFANRHFSA-N 1 1 459.557 3.583 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2Cc2ccc(C(F)(F)F)cc2C)CCOC1 ZINC001314138760 1072051494 /nfs/dbraw/zinc/05/14/94/1072051494.db2.gz YUQQQKSTEQWDLE-FDDCHVKYSA-N 1 1 481.563 3.836 20 0 JHADMO CCO[C@]1(c2nnc(N3CCSC[C@@H]3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314142165 1072057321 /nfs/dbraw/zinc/05/73/21/1072057321.db2.gz DVQRPGQFBYOAQM-SEDAZVQISA-N 1 1 465.708 3.630 20 0 JHADMO CCc1ccc(-c2nnc(N(CCOC)[C@@H]3CC[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001305925856 1068221609 /nfs/dbraw/zinc/22/16/09/1068221609.db2.gz FGBUSTALDZGDIF-ZFGGDYGUSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2c(C)noc2C)cc1 ZINC001305926812 1068223673 /nfs/dbraw/zinc/22/36/73/1068223673.db2.gz VOEKEGKPSMFIGM-UHFFFAOYSA-N 1 1 466.630 3.902 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2c(C)noc2C)cc1 ZINC001305926812 1068223683 /nfs/dbraw/zinc/22/36/83/1068223683.db2.gz VOEKEGKPSMFIGM-UHFFFAOYSA-N 1 1 466.630 3.902 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nc(C)cs2)cc1 ZINC001305927417 1068225042 /nfs/dbraw/zinc/22/50/42/1068225042.db2.gz ZYJZSQVHMFIJIA-KDURUIRLSA-N 1 1 454.644 3.866 20 0 JHADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nc(C)cs2)cc1 ZINC001305927417 1068225047 /nfs/dbraw/zinc/22/50/47/1068225047.db2.gz ZYJZSQVHMFIJIA-KDURUIRLSA-N 1 1 454.644 3.866 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCC(=O)N(CC)CC)cc1 ZINC001305928797 1068227793 /nfs/dbraw/zinc/22/77/93/1068227793.db2.gz LQQGFOOSJUFXMR-NFBKMPQASA-N 1 1 452.647 3.829 20 0 JHADMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928878 1068228398 /nfs/dbraw/zinc/22/83/98/1068228398.db2.gz MBZCPSSEPKWTSA-SFTDATJTSA-N 1 1 455.647 3.870 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[N@H+](C)[C@H](C)CC)cc1 ZINC001305934641 1068235692 /nfs/dbraw/zinc/23/56/92/1068235692.db2.gz MJNLUUNPNSHVOV-HXUWFJFHSA-N 1 1 452.647 3.829 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001305938696 1068245101 /nfs/dbraw/zinc/24/51/01/1068245101.db2.gz ASNYDYLABJKLFV-MHZLTWQESA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305938696 1068245107 /nfs/dbraw/zinc/24/51/07/1068245107.db2.gz ASNYDYLABJKLFV-MHZLTWQESA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001305938696 1068245115 /nfs/dbraw/zinc/24/51/15/1068245115.db2.gz ASNYDYLABJKLFV-MHZLTWQESA-N 1 1 468.690 3.929 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@H](OCCOC)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305941695 1068251443 /nfs/dbraw/zinc/25/14/43/1068251443.db2.gz NDAGMBHQSJCFHI-URXFXBBRSA-N 1 1 455.647 3.871 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@@H](OCCOC)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305941697 1068251468 /nfs/dbraw/zinc/25/14/68/1068251468.db2.gz NDAGMBHQSJCFHI-XUZZJYLKSA-N 1 1 455.647 3.871 20 0 JHADMO CCc1ccc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001305941807 1068251871 /nfs/dbraw/zinc/25/18/71/1068251871.db2.gz NPKKQHNFHCGJNV-ROKPMTFOSA-N 1 1 452.647 3.733 20 0 JHADMO CCc1ccc(-c2nnc(N3CCN(C(=O)N(CC)CC)CC3)n2CC[N@H+](C)[C@@H](C)CC)cc1 ZINC001305942348 1068253312 /nfs/dbraw/zinc/25/33/12/1068253312.db2.gz GOQGHHVMIGMDTI-NRFANRHFSA-N 1 1 469.678 3.822 20 0 JHADMO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(CC)CC)n3CC[N@H+]3CCC[C@@H]3C)CCO2)cc1 ZINC001305953172 1068278741 /nfs/dbraw/zinc/27/87/41/1068278741.db2.gz GBULWDIKTKPAGR-RDPSFJRHSA-N 1 1 482.673 3.821 20 0 JHADMO CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001305956864 1068284594 /nfs/dbraw/zinc/28/45/94/1068284594.db2.gz HLWAGEOBSTWZTA-TVZXLZGTSA-N 1 1 480.701 3.976 20 0 JHADMO CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001305956866 1068284669 /nfs/dbraw/zinc/28/46/69/1068284669.db2.gz HLWAGEOBSTWZTA-UFPGJGBJSA-N 1 1 480.701 3.976 20 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JHADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(OC)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001306285397 1068703386 /nfs/dbraw/zinc/70/33/86/1068703386.db2.gz DZEAFEPFHUDODJ-NZQKXSOJSA-N 1 1 454.663 3.852 20 0 JHADMO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001306295518 1068711891 /nfs/dbraw/zinc/71/18/91/1068711891.db2.gz QHVDWECATZFERG-ICSRJNTNSA-N 1 1 487.645 3.707 20 0 JHADMO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001306295518 1068711905 /nfs/dbraw/zinc/71/19/05/1068711905.db2.gz QHVDWECATZFERG-ICSRJNTNSA-N 1 1 487.645 3.707 20 0 JHADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(CCOc2ccccc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001306301678 1068718395 /nfs/dbraw/zinc/71/83/95/1068718395.db2.gz ZPKOTGBYJLTZDK-CQOQZXRMSA-N 1 1 455.647 3.881 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC(C)(C)C ZINC001306315935 1068735109 /nfs/dbraw/zinc/73/51/09/1068735109.db2.gz BPPNYZAWZQOCRQ-OAQYLSRUSA-N 1 1 491.702 3.864 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001306317254 1068737289 /nfs/dbraw/zinc/73/72/89/1068737289.db2.gz IMRWQEPROIZRNJ-KCZVDYSFSA-N 1 1 486.636 3.784 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001306317544 1068738277 /nfs/dbraw/zinc/73/82/77/1068738277.db2.gz KDYODLSQBUELRG-QFIPXVFZSA-N 1 1 468.646 3.561 20 0 JHADMO CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001306317821 1068739950 /nfs/dbraw/zinc/73/99/50/1068739950.db2.gz SROIAXUSMSRDDE-TUNNFDKTSA-N 1 1 471.646 3.946 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCS(=O)(=O)CC ZINC001306318193 1068740475 /nfs/dbraw/zinc/74/04/75/1068740475.db2.gz FHOTZJRLSRZVEG-GOSISDBHSA-N 1 1 468.067 3.734 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001306318275 1068741277 /nfs/dbraw/zinc/74/12/77/1068741277.db2.gz FQCBUMYQKWYTHZ-GOSISDBHSA-N 1 1 478.567 3.937 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001306318439 1068742116 /nfs/dbraw/zinc/74/21/16/1068742116.db2.gz NSVNIXYEKIXVJK-TZIWHRDSSA-N 1 1 479.572 3.663 20 0 JHADMO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001306319350 1068744761 /nfs/dbraw/zinc/74/47/61/1068744761.db2.gz KMUPEDULDNFCMU-QFIPXVFZSA-N 1 1 470.662 3.757 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 ZINC001306319350 1068744767 /nfs/dbraw/zinc/74/47/67/1068744767.db2.gz KMUPEDULDNFCMU-QFIPXVFZSA-N 1 1 470.662 3.757 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306319358 1068744864 /nfs/dbraw/zinc/74/48/64/1068744864.db2.gz KPVGHZUZOKZCKR-YADHBBJMSA-N 1 1 498.672 3.531 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001306319322 1068744879 /nfs/dbraw/zinc/74/48/79/1068744879.db2.gz KDPNHOJBXDHRAC-IRLDBZIGSA-N 1 1 498.672 3.672 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001306319368 1068745252 /nfs/dbraw/zinc/74/52/52/1068745252.db2.gz KSVMTFCCMADZCC-SFTDATJTSA-N 1 1 469.678 3.679 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC)C1 ZINC001306319545 1068745317 /nfs/dbraw/zinc/74/53/17/1068745317.db2.gz UDZODULEAXJBBR-QZTJIDSGSA-N 1 1 465.440 3.536 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306319392 1068745524 /nfs/dbraw/zinc/74/55/24/1068745524.db2.gz LAQGRJOSIUCZSP-NHCUHLMSSA-N 1 1 485.677 3.994 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC[C@@H]2CC)CCN1CCOC ZINC001306319825 1068746755 /nfs/dbraw/zinc/74/67/55/1068746755.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 1 1 458.651 3.658 20 0 JHADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@@H]2CC)CCN1CCOC ZINC001306319825 1068746765 /nfs/dbraw/zinc/74/67/65/1068746765.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 1 1 458.651 3.658 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306320288 1068748676 /nfs/dbraw/zinc/74/86/76/1068748676.db2.gz SRHZZTRPEBSJFQ-QFIPXVFZSA-N 1 1 468.646 3.665 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306320714 1068749370 /nfs/dbraw/zinc/74/93/70/1068749370.db2.gz BLSOJMSXUPFGNJ-UXHICEINSA-N 1 1 471.650 3.983 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001306320968 1068750201 /nfs/dbraw/zinc/75/02/01/1068750201.db2.gz CRBIBCRULDWURD-YADHBBJMSA-N 1 1 476.666 3.699 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001306321189 1068751119 /nfs/dbraw/zinc/75/11/19/1068751119.db2.gz BMOBFCVRTUNCCS-ZZLPTCMGSA-N 1 1 474.694 3.553 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 ZINC001306321057 1068751202 /nfs/dbraw/zinc/75/12/02/1068751202.db2.gz ASQWZKVVBZSUSK-IRLDBZIGSA-N 1 1 452.647 3.713 20 0 JHADMO 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 1068753074 /nfs/dbraw/zinc/75/30/74/1068753074.db2.gz GHELUKFFWSNCJD-WOZUAGRISA-N 1 1 476.666 3.538 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001306322559 1068753830 /nfs/dbraw/zinc/75/38/30/1068753830.db2.gz GQOGIHRNFQSRNS-DHIUTWEWSA-N 1 1 497.688 3.974 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001306323093 1068755910 /nfs/dbraw/zinc/75/59/10/1068755910.db2.gz KIPSGVKHHDQSMT-FCHUYYIVSA-N 1 1 457.667 3.656 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C ZINC001306323986 1068758425 /nfs/dbraw/zinc/75/84/25/1068758425.db2.gz MJUPUQGSOQKRQQ-OAQYLSRUSA-N 1 1 461.054 3.748 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001306324696 1068759799 /nfs/dbraw/zinc/75/97/99/1068759799.db2.gz UVUYPZMOYTUCLZ-DXBBTUNJSA-N 1 1 490.693 3.786 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001306324534 1068759808 /nfs/dbraw/zinc/75/98/08/1068759808.db2.gz PMKJBHBKSJGHOV-PMACEKPBSA-N 1 1 478.682 3.570 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001306325312 1068761760 /nfs/dbraw/zinc/76/17/60/1068761760.db2.gz SOBCJOMXQGDUHU-FQEVSTJZSA-N 1 1 498.569 3.945 20 0 JHADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001306325931 1068763098 /nfs/dbraw/zinc/76/30/98/1068763098.db2.gz WKIDODYWLVJJIR-FYYLOGMGSA-N 1 1 455.647 3.952 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C ZINC001306325475 1068763202 /nfs/dbraw/zinc/76/32/02/1068763202.db2.gz YCUFGAGSEQSZDB-UNMCSNQZSA-N 1 1 490.693 3.882 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001306325970 1068763502 /nfs/dbraw/zinc/76/35/02/1068763502.db2.gz XAYUYHZOKWIVPJ-ZCYQVOJMSA-N 1 1 466.674 3.794 20 0 JHADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 ZINC001306326139 1068763619 /nfs/dbraw/zinc/76/36/19/1068763619.db2.gz WUHNCTGCVNAABZ-BHDDXSALSA-N 1 1 475.678 3.851 20 0 JHADMO CC[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001306337424 1068773817 /nfs/dbraw/zinc/77/38/17/1068773817.db2.gz QENSBJCZRXEHLQ-NJYVYQBISA-N 1 1 476.666 3.697 20 0 JHADMO CC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306340510 1068777521 /nfs/dbraw/zinc/77/75/21/1068777521.db2.gz GMCGCSHPTDYZPX-AKIFATBCSA-N 1 1 488.702 3.569 20 0 JHADMO CC[C@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001306344720 1068781688 /nfs/dbraw/zinc/78/16/88/1068781688.db2.gz FVVTUANGNNLZJJ-WIOPSUGQSA-N 1 1 459.610 3.969 20 0 JHADMO CC[C@H]1CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001306345121 1068782204 /nfs/dbraw/zinc/78/22/04/1068782204.db2.gz KHQPTVGTARYEFA-WMZOPIPTSA-N 1 1 478.435 3.816 20 0 JHADMO CC[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306361192 1068796502 /nfs/dbraw/zinc/79/65/02/1068796502.db2.gz HOBSUKYDOFTSGG-WIYYLYMNSA-N 1 1 459.038 3.778 20 0 JHADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001306383691 1068816722 /nfs/dbraw/zinc/81/67/22/1068816722.db2.gz FRVIFAHIMDGCLU-YADHBBJMSA-N 1 1 470.687 3.585 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCCOCCc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001306385795 1068819060 /nfs/dbraw/zinc/81/90/60/1068819060.db2.gz CRQHHCVVSRYHAU-BJKOFHAPSA-N 1 1 469.674 3.772 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCOCCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306385798 1068819166 /nfs/dbraw/zinc/81/91/66/1068819166.db2.gz CRQHHCVVSRYHAU-RPWUZVMVSA-N 1 1 469.674 3.772 20 0 JHADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001306388343 1068823699 /nfs/dbraw/zinc/82/36/99/1068823699.db2.gz VOIFMWDTJUPBFE-ICSRJNTNSA-N 1 1 495.594 3.865 20 0 JHADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001306390593 1068828578 /nfs/dbraw/zinc/82/85/78/1068828578.db2.gz HZZWYKNUIQHZPQ-QHCPKHFHSA-N 1 1 499.729 3.507 20 0 JHADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccsc2)CC[N@H+]1CCOC ZINC001306393257 1068834300 /nfs/dbraw/zinc/83/43/00/1068834300.db2.gz RWSNGYVOSZRPNH-HSZRJFAPSA-N 1 1 496.681 3.998 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001306395405 1068840288 /nfs/dbraw/zinc/84/02/88/1068840288.db2.gz BTNZPACPBGJHSD-QFBILLFUSA-N 1 1 480.476 3.760 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001306395405 1068840299 /nfs/dbraw/zinc/84/02/99/1068840299.db2.gz BTNZPACPBGJHSD-QFBILLFUSA-N 1 1 480.476 3.760 20 0 JHADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCOC2)CC[N@H+]1CCOC ZINC001306398740 1068851433 /nfs/dbraw/zinc/85/14/33/1068851433.db2.gz SQSORNKXWFGLRU-WIYYLYMNSA-N 1 1 492.462 3.681 20 0 JHADMO 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CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001306507603 1069093180 /nfs/dbraw/zinc/09/31/80/1069093180.db2.gz OLEFVYLYTGCZTM-DNQXCXABSA-N 1 1 466.674 3.937 20 0 JHADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001310661145 1069093869 /nfs/dbraw/zinc/09/38/69/1069093869.db2.gz WWTBISVGUPXCIX-UHFFFAOYSA-N 1 1 456.497 3.960 20 0 JHADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001306509700 1069098983 /nfs/dbraw/zinc/09/89/83/1069098983.db2.gz ZCBMUJLTWKHVQU-CTNGQTDRSA-N 1 1 487.718 3.639 20 0 JHADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2CC[N@H+]2CCc3ccccc3C2)C1 ZINC001306516332 1069121714 /nfs/dbraw/zinc/12/17/14/1069121714.db2.gz CXZQBAVLCBLWBJ-QFIPXVFZSA-N 1 1 466.674 3.668 20 0 JHADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306518517 1069133028 /nfs/dbraw/zinc/13/30/28/1069133028.db2.gz NPUSNJCKBHADFG-FIXSFTCYSA-N 1 1 481.689 3.517 20 0 JHADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001310745115 1069147503 /nfs/dbraw/zinc/14/75/03/1069147503.db2.gz GYBHTJXJQBKBHM-GOSISDBHSA-N 1 1 458.404 3.692 20 0 JHADMO 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 1069149962 /nfs/dbraw/zinc/14/99/62/1069149962.db2.gz ZPCANOZALBMAFV-QZNHQXDQSA-N 1 1 476.710 3.670 20 0 JHADMO CCC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001306525001 1069150999 /nfs/dbraw/zinc/15/09/99/1069150999.db2.gz BNGRSDGIFAKVBU-XMMPIXPASA-N 1 1 464.054 3.944 20 0 JHADMO CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001306528493 1069161506 /nfs/dbraw/zinc/16/15/06/1069161506.db2.gz IFACCYOTQNHHOU-SWHJIRTISA-N 1 1 469.634 3.650 20 0 JHADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1 ZINC001310791196 1069164694 /nfs/dbraw/zinc/16/46/94/1069164694.db2.gz MHKNNBKUDDVXPZ-RXVVDRJESA-N 1 1 457.596 3.596 20 0 JHADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1 ZINC001310791196 1069164702 /nfs/dbraw/zinc/16/47/02/1069164702.db2.gz MHKNNBKUDDVXPZ-RXVVDRJESA-N 1 1 457.596 3.596 20 0 JHADMO CCC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306540884 1069189343 /nfs/dbraw/zinc/18/93/43/1069189343.db2.gz KNGDXDZWXZOFGX-DEOSSOPVSA-N 1 1 464.054 3.620 20 0 JHADMO CCC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306540884 1069189347 /nfs/dbraw/zinc/18/93/47/1069189347.db2.gz KNGDXDZWXZOFGX-DEOSSOPVSA-N 1 1 464.054 3.620 20 0 JHADMO CCC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001306543898 1069196052 /nfs/dbraw/zinc/19/60/52/1069196052.db2.gz AUIORXXULKJVGH-DEOSSOPVSA-N 1 1 473.618 3.931 20 0 JHADMO CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001306545737 1069201867 /nfs/dbraw/zinc/20/18/67/1069201867.db2.gz SYNXFRAQHZPBGU-GWJPWWOOSA-N 1 1 492.462 3.844 20 0 JHADMO CCC[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306545771 1069201899 /nfs/dbraw/zinc/20/18/99/1069201899.db2.gz UOSKXFARXXQEBQ-VWLOTQADSA-N 1 1 459.635 3.727 20 0 JHADMO COC(=O)[C@@H]1CCc2sc(NC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC001310905053 1069217454 /nfs/dbraw/zinc/21/74/54/1069217454.db2.gz STSIZFPHUDMIJS-RTBURBONSA-N 1 1 456.612 3.845 20 0 JHADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC001310955767 1069232733 /nfs/dbraw/zinc/23/27/33/1069232733.db2.gz XVOGAXHJLUIIOM-KGVIQGDOSA-N 1 1 456.562 3.844 20 0 JHADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC001310955767 1069232746 /nfs/dbraw/zinc/23/27/46/1069232746.db2.gz XVOGAXHJLUIIOM-KGVIQGDOSA-N 1 1 456.562 3.844 20 0 JHADMO COc1cc(-c2noc(CCCCCNC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)n2)ccc1O ZINC001306585762 1069251947 /nfs/dbraw/zinc/25/19/47/1069251947.db2.gz QMQCMVFSFDSNPG-RDPSFJRHSA-N 1 1 464.566 3.973 20 0 JHADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001306587902 1069255913 /nfs/dbraw/zinc/25/59/13/1069255913.db2.gz YRYXUYAXEKJRDB-ILWGZMRPSA-N 1 1 467.662 3.654 20 0 JHADMO CCC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)OC ZINC001306592138 1069261991 /nfs/dbraw/zinc/26/19/91/1069261991.db2.gz PJGNYPNFWOUDMW-BGWNEDDSSA-N 1 1 471.646 3.879 20 0 JHADMO 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 1069268540 /nfs/dbraw/zinc/26/85/40/1069268540.db2.gz XGHKOQPSYLBQBG-UARRHKHWSA-N 1 1 456.631 3.764 20 0 JHADMO COc1cc([C@H](C)NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc(OC)c1OC ZINC001311163785 1069287244 /nfs/dbraw/zinc/28/72/44/1069287244.db2.gz QBXIQXXGDORXMU-UWJYYQICSA-N 1 1 454.571 3.880 20 0 JHADMO COc1cc([C@@H](C)NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc(OC)c1OC ZINC001311163784 1069287351 /nfs/dbraw/zinc/28/73/51/1069287351.db2.gz QBXIQXXGDORXMU-UTKZUKDTSA-N 1 1 454.571 3.880 20 0 JHADMO CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001311164361 1069287942 /nfs/dbraw/zinc/28/79/42/1069287942.db2.gz VOIFOBLXDIYKIT-JOCHJYFZSA-N 1 1 455.603 3.660 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(F)F ZINC001311174221 1069289486 /nfs/dbraw/zinc/28/94/86/1069289486.db2.gz CEYKKYANKQGDFU-SFHVURJKSA-N 1 1 458.525 3.592 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(F)F ZINC001311174221 1069289493 /nfs/dbraw/zinc/28/94/93/1069289493.db2.gz CEYKKYANKQGDFU-SFHVURJKSA-N 1 1 458.525 3.592 20 0 JHADMO CCC[C@@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CC[N@H+]1CCOC ZINC001306615717 1069295929 /nfs/dbraw/zinc/29/59/29/1069295929.db2.gz HLSBDFKCVBLPSE-MRXNPFEDSA-N 1 1 456.454 3.590 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001306618171 1069300940 /nfs/dbraw/zinc/30/09/40/1069300940.db2.gz CXPSQWDOBGJWKJ-HXUWFJFHSA-N 1 1 458.994 3.880 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001306619077 1069302902 /nfs/dbraw/zinc/30/29/02/1069302902.db2.gz IKRHYOAQKNERTA-MOPGFXCFSA-N 1 1 498.455 3.604 20 0 JHADMO CN(C)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001311229256 1069302851 /nfs/dbraw/zinc/30/28/51/1069302851.db2.gz FOYYJWOHRABGMB-JOCHJYFZSA-N 1 1 450.505 3.872 20 0 JHADMO CN(C)c1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC001311230240 1069302907 /nfs/dbraw/zinc/30/29/07/1069302907.db2.gz ZDDWXXLXDUSXCO-UTKZUKDTSA-N 1 1 450.505 3.776 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CCO1 ZINC001306620606 1069307464 /nfs/dbraw/zinc/30/74/64/1069307464.db2.gz QVTRCLPZQSCKII-QPPBQGQZSA-N 1 1 454.663 3.539 20 0 JHADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164432064 718978740 /nfs/dbraw/zinc/97/87/40/718978740.db2.gz FLMLPXYZJBYIBF-MHECFPHRSA-N 1 1 458.628 3.843 20 0 JHADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164433448 718978858 /nfs/dbraw/zinc/97/88/58/718978858.db2.gz LFOYSOWAMONWOI-RXFWQSSRSA-N 1 1 484.666 3.960 20 0 JHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164434175 718979211 /nfs/dbraw/zinc/97/92/11/718979211.db2.gz PGWRMERWFCSXJW-SZCFDOLESA-N 1 1 484.666 3.960 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)c2c1C ZINC001164646637 719305079 /nfs/dbraw/zinc/30/50/79/719305079.db2.gz BGUGONGYQQWJNP-DCLXLUIPSA-N 1 1 483.682 3.900 20 0 JHADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)C2)cc[nH+]1 ZINC001164663052 719356628 /nfs/dbraw/zinc/35/66/28/719356628.db2.gz BZLBVFUHHYIQAS-FQEVSTJZSA-N 1 1 487.382 3.913 20 0 JHADMO Cc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1Cl ZINC001164664224 719357082 /nfs/dbraw/zinc/35/70/82/719357082.db2.gz MHWDDIGNESMUFH-OAQYLSRUSA-N 1 1 466.964 3.568 20 0 JHADMO CC(C)Oc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684437 719671506 /nfs/dbraw/zinc/67/15/06/719671506.db2.gz UEHYCZFDYNCKEX-NRFANRHFSA-N 1 1 450.627 3.962 20 0 JHADMO O=C1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1Cc1cccnc1 ZINC001164693164 719772170 /nfs/dbraw/zinc/77/21/70/719772170.db2.gz XTWLPDGITXYJGB-SFTDATJTSA-N 1 1 488.661 3.941 20 0 JHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2C(N)=O)CC3)cs1 ZINC001164691557 719812728 /nfs/dbraw/zinc/81/27/28/719812728.db2.gz HEGSKGXABHGBAP-UHFFFAOYSA-N 1 1 455.962 3.779 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2C(N)=O)CC3)cs1 ZINC001164691557 719812730 /nfs/dbraw/zinc/81/27/30/719812730.db2.gz HEGSKGXABHGBAP-UHFFFAOYSA-N 1 1 455.962 3.779 20 0 JHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(=O)N4CCOCC4)cc2Cl)CC3)cs1 ZINC001164693508 719814041 /nfs/dbraw/zinc/81/40/41/719814041.db2.gz VUOGVXRVNDDQAD-UHFFFAOYSA-N 1 1 476.046 3.607 20 0 JHADMO 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CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697730 719892562 /nfs/dbraw/zinc/89/25/62/719892562.db2.gz OUJSCILCRLPXBC-UHFFFAOYSA-N 1 1 483.638 3.911 20 0 JHADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697053 719894543 /nfs/dbraw/zinc/89/45/43/719894543.db2.gz JARDIPADGISLAP-UHFFFAOYSA-N 1 1 484.453 3.553 20 0 JHADMO Cc1cc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc(N3CCOCC3)c2s1 ZINC001164696689 719894591 /nfs/dbraw/zinc/89/45/91/719894591.db2.gz HJNYHGMRXVNMJL-UHFFFAOYSA-N 1 1 485.679 3.769 20 0 JHADMO Cc1cc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc(N3CCOCC3)c2s1 ZINC001164696689 719894593 /nfs/dbraw/zinc/89/45/93/719894593.db2.gz HJNYHGMRXVNMJL-UHFFFAOYSA-N 1 1 485.679 3.769 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)c2c1C ZINC001164803890 720050371 /nfs/dbraw/zinc/05/03/71/720050371.db2.gz KYVXHKCRLNLGLA-NBGIEHNGSA-N 1 1 482.654 3.555 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164712492 720103060 /nfs/dbraw/zinc/10/30/60/720103060.db2.gz WDLXQKSLHSKXMZ-GOSISDBHSA-N 1 1 451.949 3.886 20 0 JHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164814391 720109582 /nfs/dbraw/zinc/10/95/82/720109582.db2.gz SDVYZXXEGLBDCD-OSPHWJPCSA-N 1 1 458.990 3.645 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)CC2 ZINC001164718035 720115561 /nfs/dbraw/zinc/11/55/61/720115561.db2.gz QOUJRDSQPLDHFH-SFHVURJKSA-N 1 1 494.970 3.969 20 0 JHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164713587 720140133 /nfs/dbraw/zinc/14/01/33/720140133.db2.gz SIFHQABIYVMXMP-DHLKQENFSA-N 1 1 477.653 3.856 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164819044 720149047 /nfs/dbraw/zinc/14/90/47/720149047.db2.gz VQOXPSVUJWWCFL-KKSFZXQISA-N 1 1 452.933 3.893 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164820198 720159682 /nfs/dbraw/zinc/15/96/82/720159682.db2.gz ZSVPIHBRRVESOW-PGRDOPGGSA-N 1 1 463.960 3.922 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CCC2 ZINC001164812142 720214130 /nfs/dbraw/zinc/21/41/30/720214130.db2.gz KZJQWTNSZAFYFJ-UHFFFAOYSA-N 1 1 462.932 3.635 20 0 JHADMO CSc1cnc(Cl)c(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164812032 720234553 /nfs/dbraw/zinc/23/45/53/720234553.db2.gz ASNKCGCRRFLWOW-UHFFFAOYSA-N 1 1 457.978 3.809 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1ccc(Cl)nc1Cl)CCC2 ZINC001164817192 720244667 /nfs/dbraw/zinc/24/46/67/720244667.db2.gz PQYNLZPFADKDQZ-UHFFFAOYSA-N 1 1 462.328 3.620 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccccc1)CCC2 ZINC001164816598 720245930 /nfs/dbraw/zinc/24/59/30/720245930.db2.gz KPMAGSFJOFRUEE-UHFFFAOYSA-N 1 1 454.962 3.730 20 0 JHADMO 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Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2c1C ZINC001164850076 720813043 /nfs/dbraw/zinc/81/30/43/720813043.db2.gz ILIBGEIXARSODQ-LEWJYISDSA-N 1 1 476.650 3.784 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)n1 ZINC001164846385 720822222 /nfs/dbraw/zinc/82/22/22/720822222.db2.gz FBYMLHSTDIWDPX-QHAWAJNXSA-N 1 1 493.633 3.710 20 0 JHADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744725 720844932 /nfs/dbraw/zinc/84/49/32/720844932.db2.gz LMPYHEVNAMMJJY-SGIRGMQISA-N 1 1 472.641 3.591 20 0 JHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739419 720848895 /nfs/dbraw/zinc/84/88/95/720848895.db2.gz ADWHXJBIDGCDIJ-SQGPQFPESA-N 1 1 463.964 3.523 20 0 JHADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164747628 720853976 /nfs/dbraw/zinc/85/39/76/720853976.db2.gz IMDJQUCAOPKXAN-GMKZXUHWSA-N 1 1 458.614 3.606 20 0 JHADMO 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Clc1cccc(COc2cncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164881217 721181937 /nfs/dbraw/zinc/18/19/37/721181937.db2.gz ZZLJQZWIPGGOSK-VXKWHMMOSA-N 1 1 451.958 3.584 20 0 JHADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164767705 721199266 /nfs/dbraw/zinc/19/92/66/721199266.db2.gz KJKNPGFWFZXAFX-YADHBBJMSA-N 1 1 479.698 3.986 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)cn1 ZINC001164769780 721236468 /nfs/dbraw/zinc/23/64/68/721236468.db2.gz ZPQXHSBHFYBBOY-PKTZIBPZSA-N 1 1 454.578 3.901 20 0 JHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761150 721242651 /nfs/dbraw/zinc/24/26/51/721242651.db2.gz HVBHZKWUMQLVRF-MSOLQXFVSA-N 1 1 454.962 3.623 20 0 JHADMO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878257 721255907 /nfs/dbraw/zinc/25/59/07/721255907.db2.gz TZYYMFQUSPYWKN-QCDSWUKFSA-N 1 1 497.643 3.983 20 0 JHADMO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164878257 721255914 /nfs/dbraw/zinc/25/59/14/721255914.db2.gz TZYYMFQUSPYWKN-QCDSWUKFSA-N 1 1 497.643 3.983 20 0 JHADMO Cc1ccc(-c2csc3ncnc(N4CCC5(CC4)COCC[N@H+](CC(=O)N(C)C)C5)c23)cc1 ZINC001164870250 721269307 /nfs/dbraw/zinc/26/93/07/721269307.db2.gz UXHANNCXAMVCMF-UHFFFAOYSA-N 1 1 479.650 3.674 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC2)C1 ZINC001164872457 721276943 /nfs/dbraw/zinc/27/69/43/721276943.db2.gz DLBSFXOCADGLMI-UHFFFAOYSA-N 1 1 494.039 3.957 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC2)C1 ZINC001164872825 721284306 /nfs/dbraw/zinc/28/43/06/721284306.db2.gz GADREZDKODTRML-UHFFFAOYSA-N 1 1 485.790 3.594 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164779169 721324522 /nfs/dbraw/zinc/32/45/22/721324522.db2.gz VBIPDEOXEZDNOQ-DEOSSOPVSA-N 1 1 474.609 3.816 20 0 JHADMO 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C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888961 721408830 /nfs/dbraw/zinc/40/88/30/721408830.db2.gz PVWNNQGOTKCIGR-KSFYIVLOSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883513 721411125 /nfs/dbraw/zinc/41/11/25/721411125.db2.gz AKOLSJORQHFIMO-OPAMFIHVSA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C3)O2)CC1 ZINC001164888832 721424404 /nfs/dbraw/zinc/42/44/04/721424404.db2.gz OVEYTZBSUJHNTB-AVRDEDQJSA-N 1 1 487.111 3.591 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C3)O2)CC1 ZINC001164888837 721424524 /nfs/dbraw/zinc/42/45/24/721424524.db2.gz OVEYTZBSUJHNTB-GCJKJVERSA-N 1 1 487.111 3.591 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895388 721429833 /nfs/dbraw/zinc/42/98/33/721429833.db2.gz OHCZLRAASCWGBW-HOYKHHGWSA-N 1 1 455.006 3.530 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164894906 721431525 /nfs/dbraw/zinc/43/15/25/721431525.db2.gz NBSPGEJNQOBNIY-WMZHIEFXSA-N 1 1 493.002 3.502 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(Cl)c2c1 ZINC001164890291 721438905 /nfs/dbraw/zinc/43/89/05/721438905.db2.gz DDLVNWOORLDCSK-WZONZLPQSA-N 1 1 496.002 3.602 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895797 721442587 /nfs/dbraw/zinc/44/25/87/721442587.db2.gz POAOXTYAGYRBSA-RCZVLFRGSA-N 1 1 453.656 3.534 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890716 721445748 /nfs/dbraw/zinc/44/57/48/721445748.db2.gz DMRGTZSVOSGAMF-GAJHUEQPSA-N 1 1 465.976 3.986 20 0 JHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897475 721446832 /nfs/dbraw/zinc/44/68/32/721446832.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 1 1 455.691 3.784 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164897475 721446834 /nfs/dbraw/zinc/44/68/34/721446834.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 1 1 455.691 3.784 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)ccc(F)c45)C3)O2)CC1 ZINC001164884882 721451649 /nfs/dbraw/zinc/45/16/49/721451649.db2.gz BQVMZUJRACZBHE-MWTRTKDXSA-N 1 1 450.961 3.932 20 0 JHADMO CCc1c(Cl)nnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1CC ZINC001164783303 721460480 /nfs/dbraw/zinc/46/04/80/721460480.db2.gz DFPNZOACHQREHP-LJQANCHMSA-N 1 1 451.055 3.989 20 0 JHADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788708 721461420 /nfs/dbraw/zinc/46/14/20/721461420.db2.gz VRYARDLEUHYLDE-FQEVSTJZSA-N 1 1 480.049 3.954 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164789899 721464145 /nfs/dbraw/zinc/46/41/45/721464145.db2.gz YGVUEKBXRGAPQY-XMMPIXPASA-N 1 1 466.626 3.790 20 0 JHADMO 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CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905210 721533913 /nfs/dbraw/zinc/53/39/13/721533913.db2.gz GQGWJOKSKOERPN-MJGOQNOKSA-N 1 1 464.969 3.553 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810065 721536672 /nfs/dbraw/zinc/53/66/72/721536672.db2.gz WWJCABBTJDCOPS-OPYAIIAOSA-N 1 1 478.975 3.538 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810065 721536673 /nfs/dbraw/zinc/53/66/73/721536673.db2.gz WWJCABBTJDCOPS-OPYAIIAOSA-N 1 1 478.975 3.538 20 0 JHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164903900 721549978 /nfs/dbraw/zinc/54/99/78/721549978.db2.gz DIIOAISLPVEDTC-RDJZCZTQSA-N 1 1 469.891 3.938 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164799720 721574245 /nfs/dbraw/zinc/57/42/45/721574245.db2.gz DHOAGGKDGLYFJZ-FDFHNCONSA-N 1 1 481.984 3.723 20 0 JHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164799720 721574246 /nfs/dbraw/zinc/57/42/46/721574246.db2.gz DHOAGGKDGLYFJZ-FDFHNCONSA-N 1 1 481.984 3.723 20 0 JHADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2C1=O ZINC001164903737 721575485 /nfs/dbraw/zinc/57/54/85/721575485.db2.gz RTRPCRAYNNCGNW-NHCUHLMSSA-N 1 1 491.661 3.885 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806361 721576233 /nfs/dbraw/zinc/57/62/33/721576233.db2.gz QGANJPMFABZBSX-IRFCIJBXSA-N 1 1 481.622 3.748 20 0 JHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806361 721576238 /nfs/dbraw/zinc/57/62/38/721576238.db2.gz QGANJPMFABZBSX-IRFCIJBXSA-N 1 1 481.622 3.748 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@H]2CCCO[C@@H]12 ZINC001164810268 721587404 /nfs/dbraw/zinc/58/74/04/721587404.db2.gz VPHCHBUZMWQQJF-YQVWRLOYSA-N 1 1 476.915 3.593 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@H]2CCCO[C@@H]12 ZINC001164810268 721587407 /nfs/dbraw/zinc/58/74/07/721587407.db2.gz VPHCHBUZMWQQJF-YQVWRLOYSA-N 1 1 476.915 3.593 20 0 JHADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801114 721587679 /nfs/dbraw/zinc/58/76/79/721587679.db2.gz DRTUGKLXLXPDLX-ZRCGQRJVSA-N 1 1 450.974 3.764 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@@H]3C2)nc1 ZINC001164804350 721603181 /nfs/dbraw/zinc/60/31/81/721603181.db2.gz YCIDKOLAOVFGPE-ISJGIBHGSA-N 1 1 463.626 3.586 20 0 JHADMO COc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908704 721713323 /nfs/dbraw/zinc/71/33/23/721713323.db2.gz YRBHTVVRDZTCOW-QHCPKHFHSA-N 1 1 452.509 3.680 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c2c1C ZINC001165010057 721713492 /nfs/dbraw/zinc/71/34/92/721713492.db2.gz YEQUJHUANGKYKY-UHFFFAOYSA-N 1 1 468.675 3.746 20 0 JHADMO COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907740 721720683 /nfs/dbraw/zinc/72/06/83/721720683.db2.gz SZLBDEBJALZOFT-SFHVURJKSA-N 1 1 459.875 3.816 20 0 JHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904917 721720814 /nfs/dbraw/zinc/72/08/14/721720814.db2.gz FPAZPUGZXIXVNL-IBGZPJMESA-N 1 1 471.886 3.512 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C(=O)N(c6cccnc6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001165024714 721791899 /nfs/dbraw/zinc/79/18/99/721791899.db2.gz SPDXSGXSFJNFGC-RXVVDRJESA-N 1 1 488.661 3.906 20 0 JHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5CN(c6cccnc6)C(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001165024717 721792029 /nfs/dbraw/zinc/79/20/29/721792029.db2.gz SPDXSGXSFJNFGC-WIYYLYMNSA-N 1 1 488.661 3.906 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C(=O)N(c4cccnc4)C[C@@H]3C2)n1 ZINC001165026048 721792856 /nfs/dbraw/zinc/79/28/56/721792856.db2.gz XJJWOIFYABZRCD-ICSRJNTNSA-N 1 1 470.602 3.914 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164913209 721799722 /nfs/dbraw/zinc/79/97/22/721799722.db2.gz BGIRKPDNFRRFJK-BDYUSTAISA-N 1 1 465.642 3.521 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1=O ZINC001165022204 721821675 /nfs/dbraw/zinc/82/16/75/721821675.db2.gz GSBCVXFFIRJKJR-HQRMLTQVSA-N 1 1 455.006 3.626 20 0 JHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164933318 721885405 /nfs/dbraw/zinc/88/54/05/721885405.db2.gz LZOJZFBDBOHGQL-LEWJYISDSA-N 1 1 450.656 3.635 20 0 JHADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164933318 721885406 /nfs/dbraw/zinc/88/54/06/721885406.db2.gz LZOJZFBDBOHGQL-LEWJYISDSA-N 1 1 450.656 3.635 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)c2c1C ZINC001164935769 721897065 /nfs/dbraw/zinc/89/70/65/721897065.db2.gz XGUNLCQOAHRQBA-CEWLAPEOSA-N 1 1 483.682 3.804 20 0 JHADMO F[C@]1(N2CC[NH+](C[C@@H]3CCCO3)CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165039623 721912552 /nfs/dbraw/zinc/91/25/52/721912552.db2.gz UHIRTGUQDKAUCT-MBSDFSHPSA-N 1 1 480.415 3.718 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC3)C2)cc1 ZINC001164939520 721927184 /nfs/dbraw/zinc/92/71/84/721927184.db2.gz LWJJHMXVMCCMFE-UHFFFAOYSA-N 1 1 492.451 3.800 20 0 JHADMO Cc1ccc(CN2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)cc1 ZINC001164940699 721929423 /nfs/dbraw/zinc/92/94/23/721929423.db2.gz XNABSRSQGCIVSH-UHFFFAOYSA-N 1 1 450.627 3.736 20 0 JHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC3)C2)cc1 ZINC001164939582 721931310 /nfs/dbraw/zinc/93/13/10/721931310.db2.gz MOQCYUBNXKQEOH-UHFFFAOYSA-N 1 1 462.932 3.683 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 ZINC001165050802 721981709 /nfs/dbraw/zinc/98/17/09/721981709.db2.gz WROADESGYYAVKX-ZJSXRUAMSA-N 1 1 450.583 3.507 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164950864 722001279 /nfs/dbraw/zinc/00/12/79/722001279.db2.gz KXDAAPHOJVTICD-CDXJDZJCSA-N 1 1 498.678 3.527 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)n1 ZINC001164952450 722017113 /nfs/dbraw/zinc/01/71/13/722017113.db2.gz KXDBSTBOTCGJEH-UHFFFAOYSA-N 1 1 450.917 3.954 20 0 JHADMO O=C(Nc1nncs1)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164955299 722022737 /nfs/dbraw/zinc/02/27/37/722022737.db2.gz DXXIBTLPFMKMTO-UHFFFAOYSA-N 1 1 470.002 3.726 20 0 JHADMO Cc1ccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960563 722025333 /nfs/dbraw/zinc/02/53/33/722025333.db2.gz KOBDRCGBPTZFNZ-RBJSKKJNSA-N 1 1 470.621 3.788 20 0 JHADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164959904 722028470 /nfs/dbraw/zinc/02/84/70/722028470.db2.gz JJQARQXYJJXHGE-GSLIJJQTSA-N 1 1 460.553 3.989 20 0 JHADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164962279 722042151 /nfs/dbraw/zinc/04/21/51/722042151.db2.gz OJCWUQVKTQVRCO-AOIWGVFYSA-N 1 1 480.638 3.694 20 0 JHADMO c1cc(C[N@H+]2CCOCC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)ccn1 ZINC001164963479 722060925 /nfs/dbraw/zinc/06/09/25/722060925.db2.gz ZWLCBQAVISVUGH-UHFFFAOYSA-N 1 1 456.594 3.541 20 0 JHADMO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC[C@@H]21 ZINC001164969658 722080955 /nfs/dbraw/zinc/08/09/55/722080955.db2.gz MCJZSHRPFCEPDK-FKBYEOEOSA-N 1 1 493.681 3.616 20 0 JHADMO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164976741 722091326 /nfs/dbraw/zinc/09/13/26/722091326.db2.gz SHJQLYLXNUBPGX-HSZRJFAPSA-N 1 1 459.638 3.948 20 0 JHADMO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164976741 722091328 /nfs/dbraw/zinc/09/13/28/722091328.db2.gz SHJQLYLXNUBPGX-HSZRJFAPSA-N 1 1 459.638 3.948 20 0 JHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164975553 722107439 /nfs/dbraw/zinc/10/74/39/722107439.db2.gz CNEPLOYUZTYMCF-KBPBESRZSA-N 1 1 480.787 3.502 20 0 JHADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982349 722108464 /nfs/dbraw/zinc/10/84/64/722108464.db2.gz NRXCEDHYQXXQIS-RCZVLFRGSA-N 1 1 491.039 3.768 20 0 JHADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975167 722145269 /nfs/dbraw/zinc/14/52/69/722145269.db2.gz FAAJJLSSJVNVLL-PXNSSMCTSA-N 1 1 459.928 3.950 20 0 JHADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979635 722145938 /nfs/dbraw/zinc/14/59/38/722145938.db2.gz LPYNEKUNYWVIER-DQEYMECFSA-N 1 1 458.562 3.561 20 0 JHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4ccsc4c(N4CCOCC4)n2)C3)c1 ZINC001164993696 722194754 /nfs/dbraw/zinc/19/47/54/722194754.db2.gz HVHQKTKWEHOFHO-XMMPIXPASA-N 1 1 453.587 3.912 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@@H]43)c2c1C ZINC001164994593 722215770 /nfs/dbraw/zinc/21/57/70/722215770.db2.gz BWZGYHDCBAJUDH-HSALFYBXSA-N 1 1 471.671 3.802 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@H]43)c2c1C ZINC001164994627 722215964 /nfs/dbraw/zinc/21/59/64/722215964.db2.gz BWZGYHDCBAJUDH-XUVXKRRUSA-N 1 1 471.671 3.802 20 0 JHADMO COCCO[C@@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)[C@@H]1Cc1cnn(C)c1 ZINC001164999131 722224767 /nfs/dbraw/zinc/22/47/67/722224767.db2.gz IPUVYGVEFKVIDD-FGZHOGPDSA-N 1 1 498.697 3.881 20 0 JHADMO Cc1nc2scc(-c3cccs3)c2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165001490 722237398 /nfs/dbraw/zinc/23/73/98/722237398.db2.gz HBBTWOSFLAHBSA-UHFFFAOYSA-N 1 1 477.663 3.875 20 0 JHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1 ZINC001165001758 722240355 /nfs/dbraw/zinc/24/03/55/722240355.db2.gz LNGFUBLZHYZKEE-UHFFFAOYSA-N 1 1 480.016 3.632 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccsc2)CC[N@H+]1CCOC ZINC001306622726 1069313304 /nfs/dbraw/zinc/31/33/04/1069313304.db2.gz DBDRSSLLZFQHIR-BWKNWUBXSA-N 1 1 484.670 3.555 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)CC[N@H+]1CCOC ZINC001306622961 1069313371 /nfs/dbraw/zinc/31/33/71/1069313371.db2.gz GTFJRNNHJRQZND-JOCHJYFZSA-N 1 1 482.604 3.782 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCC2)CC[N@H+]1CCOC ZINC001306622785 1069313479 /nfs/dbraw/zinc/31/34/79/1069313479.db2.gz NQAJGDGYBJFWCL-HXUWFJFHSA-N 1 1 477.053 3.890 20 0 JHADMO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1=O ZINC001311281843 1069314889 /nfs/dbraw/zinc/31/48/89/1069314889.db2.gz IEXVIPBPFIHCNY-FXAWDEMLSA-N 1 1 459.388 3.666 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001306623630 1069315228 /nfs/dbraw/zinc/31/52/28/1069315228.db2.gz FLOBGBSEAWUGOS-KNQAVFIVSA-N 1 1 463.573 3.783 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC001306623970 1069316135 /nfs/dbraw/zinc/31/61/35/1069316135.db2.gz WBZXCJKVZQVLAL-CTNGQTDRSA-N 1 1 457.619 3.700 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306624181 1069317163 /nfs/dbraw/zinc/31/71/63/1069317163.db2.gz MFIYSYDQFJQPEA-HXUWFJFHSA-N 1 1 469.659 3.707 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001306624549 1069318116 /nfs/dbraw/zinc/31/81/16/1069318116.db2.gz ZJJLLSDJQCMNCF-RBUKOAKNSA-N 1 1 466.001 3.590 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306625661 1069319867 /nfs/dbraw/zinc/31/98/67/1069319867.db2.gz SFCMPTAXRGXMSA-WOJBJXKFSA-N 1 1 462.664 3.578 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC)n2CCc2ccc(Br)s2)CC[N@H+]1CCOC ZINC001306626125 1069320754 /nfs/dbraw/zinc/32/07/54/1069320754.db2.gz CJHQGRQWXFMDLQ-MRXNPFEDSA-N 1 1 470.481 3.844 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001306626434 1069321394 /nfs/dbraw/zinc/32/13/94/1069321394.db2.gz YHKAGQAQSZRKEI-RTWAWAEBSA-N 1 1 477.600 3.630 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCO2)CC[N@H+]1CCOC ZINC001306626727 1069322113 /nfs/dbraw/zinc/32/21/13/1069322113.db2.gz KKZHYICNVBWFRF-FGZHOGPDSA-N 1 1 459.610 3.514 20 0 JHADMO CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccccc2OC(F)(F)F)CC[N@H+]1CCOC ZINC001306627158 1069323421 /nfs/dbraw/zinc/32/34/21/1069323421.db2.gz RHCRFKMFLYKVQQ-GOSISDBHSA-N 1 1 455.525 3.725 20 0 JHADMO CCC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC[N@H+]1CCOC ZINC001306628422 1069326381 /nfs/dbraw/zinc/32/63/81/1069326381.db2.gz JMEAPEMNDIKGCR-JOCHJYFZSA-N 1 1 469.033 3.903 20 0 JHADMO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC[N@H+]1CCOC ZINC001306630150 1069329445 /nfs/dbraw/zinc/32/94/45/1069329445.db2.gz NQQWZFQZLNZOOY-FQEVSTJZSA-N 1 1 497.688 3.747 20 0 JHADMO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001306631260 1069331536 /nfs/dbraw/zinc/33/15/36/1069331536.db2.gz FBEDRQKZJBNHBG-HSZRJFAPSA-N 1 1 471.646 3.993 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1CCOC ZINC001306631731 1069332543 /nfs/dbraw/zinc/33/25/43/1069332543.db2.gz ULOZGHZKEGJULA-RBBKRZOGSA-N 1 1 477.600 3.879 20 0 JHADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001306635558 1069342351 /nfs/dbraw/zinc/34/23/51/1069342351.db2.gz PTYHXMPZQYRZGT-RBUKOAKNSA-N 1 1 482.551 3.529 20 0 JHADMO COc1ccccc1C[C@](C)(CO)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001311358757 1069342841 /nfs/dbraw/zinc/34/28/41/1069342841.db2.gz MXQKNRLQOAMRQA-PBDKAQRYSA-N 1 1 453.627 3.966 20 0 JHADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC001306636371 1069345278 /nfs/dbraw/zinc/34/52/78/1069345278.db2.gz YUSQGTBVPGVIGH-DENIHFKCSA-N 1 1 478.037 3.777 20 0 JHADMO COc1cccc(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1OC1CCCC1 ZINC001311378709 1069352201 /nfs/dbraw/zinc/35/22/01/1069352201.db2.gz PMQBZTCLERBELH-UHFFFAOYSA-N 1 1 452.599 3.638 20 0 JHADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001306645583 1069356755 /nfs/dbraw/zinc/35/67/55/1069356755.db2.gz KUNUVLNULCUFLF-PMACEKPBSA-N 1 1 462.038 3.961 20 0 JHADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CC[N@H+]1CCOC ZINC001306647872 1069360423 /nfs/dbraw/zinc/36/04/23/1069360423.db2.gz QAUUAMZKMYSHMX-JOCHJYFZSA-N 1 1 464.614 3.643 20 0 JHADMO Cc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1Br ZINC001311421649 1069369234 /nfs/dbraw/zinc/36/92/34/1069369234.db2.gz FQRIWXGWDHEGKQ-QFIPXVFZSA-N 1 1 459.432 3.936 20 0 JHADMO Cc1ccc(CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC001311421649 1069369250 /nfs/dbraw/zinc/36/92/50/1069369250.db2.gz FQRIWXGWDHEGKQ-QFIPXVFZSA-N 1 1 459.432 3.936 20 0 JHADMO Cc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC001311421649 1069369262 /nfs/dbraw/zinc/36/92/62/1069369262.db2.gz FQRIWXGWDHEGKQ-QFIPXVFZSA-N 1 1 459.432 3.936 20 0 JHADMO CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001306658240 1069373421 /nfs/dbraw/zinc/37/34/21/1069373421.db2.gz ZYMAUSQTRLVXOO-FYYLOGMGSA-N 1 1 474.694 3.521 20 0 JHADMO CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001306658240 1069373429 /nfs/dbraw/zinc/37/34/29/1069373429.db2.gz ZYMAUSQTRLVXOO-FYYLOGMGSA-N 1 1 474.694 3.521 20 0 JHADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC001311440235 1069381206 /nfs/dbraw/zinc/38/12/06/1069381206.db2.gz COQDJOXATMSKLD-LJQANCHMSA-N 1 1 457.537 3.863 20 0 JHADMO COc1cccc([C@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c2cc(F)ccc2OC)c1 ZINC001311441033 1069381667 /nfs/dbraw/zinc/38/16/67/1069381667.db2.gz LGIKBEFVMAFERJ-URXFXBBRSA-N 1 1 459.562 3.588 20 0 JHADMO COc1cc(OC)cc(Oc2ccc(CNC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)c1 ZINC001311443194 1069382247 /nfs/dbraw/zinc/38/22/47/1069382247.db2.gz YCQQDPSKVSWWCD-XMMPIXPASA-N 1 1 457.571 3.652 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001306666082 1069393153 /nfs/dbraw/zinc/39/31/53/1069393153.db2.gz VSKLVUJUXBVSGV-XMMPIXPASA-N 1 1 481.689 3.613 20 0 JHADMO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001306666691 1069395029 /nfs/dbraw/zinc/39/50/29/1069395029.db2.gz ZRJJSHVRFVJGCJ-DHIUTWEWSA-N 1 1 474.694 3.521 20 0 JHADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC001311484971 1069399770 /nfs/dbraw/zinc/39/97/70/1069399770.db2.gz BHFRDNJKHUWCMW-HXUWFJFHSA-N 1 1 452.546 3.754 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2F)CC1 ZINC001306679274 1069404412 /nfs/dbraw/zinc/40/44/12/1069404412.db2.gz GTJZUPVQCDHWTK-UHFFFAOYSA-N 1 1 486.636 3.658 20 0 JHADMO 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 1069404989 /nfs/dbraw/zinc/40/49/89/1069404989.db2.gz IEBVIHZORJTJJP-HBMCJLEFSA-N 1 1 478.682 3.642 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001306679327 1069405021 /nfs/dbraw/zinc/40/50/21/1069405021.db2.gz HIPDKHSMDPDXSY-UHFFFAOYSA-N 1 1 454.541 3.919 20 0 JHADMO 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 1069405176 /nfs/dbraw/zinc/40/51/76/1069405176.db2.gz IEBVIHZORJTJJP-QHAWAJNXSA-N 1 1 478.682 3.642 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001306679747 1069405789 /nfs/dbraw/zinc/40/57/89/1069405789.db2.gz SSCRPPKMULJIAE-DEOSSOPVSA-N 1 1 469.659 3.653 20 0 JHADMO C[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C(F)F ZINC001311496281 1069406238 /nfs/dbraw/zinc/40/62/38/1069406238.db2.gz LYFOMTIHUBDGMQ-XDHUDOTRSA-N 1 1 457.525 3.771 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)CC1 ZINC001306680335 1069407212 /nfs/dbraw/zinc/40/72/12/1069407212.db2.gz MUVWGDYJWIURII-DEOSSOPVSA-N 1 1 498.672 3.511 20 0 JHADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001306680673 1069407583 /nfs/dbraw/zinc/40/75/83/1069407583.db2.gz YFBMXDXAGXCVSP-NRFANRHFSA-N 1 1 462.683 3.630 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001306681821 1069411897 /nfs/dbraw/zinc/41/18/97/1069411897.db2.gz VEDRNJDSPPKDTF-MOPGFXCFSA-N 1 1 475.707 3.903 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001306681823 1069411911 /nfs/dbraw/zinc/41/19/11/1069411911.db2.gz VEDRNJDSPPKDTF-RBUKOAKNSA-N 1 1 475.707 3.903 20 0 JHADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[C@]3(C)Cc3cccc(F)c3)cc2)CC1 ZINC001311501621 1069410201 /nfs/dbraw/zinc/41/02/01/1069410201.db2.gz IAHQSJWKCNMGQV-AREMUKBSSA-N 1 1 452.574 3.520 20 0 JHADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001306683416 1069416667 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OLYCOTHQLWBKPU-UHFFFAOYSA-N 1 1 454.663 3.604 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306688505 1069426029 /nfs/dbraw/zinc/42/60/29/1069426029.db2.gz PJDCRENURHNBIU-GOSISDBHSA-N 1 1 470.559 3.813 20 0 JHADMO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC001311535026 1069427799 /nfs/dbraw/zinc/42/77/99/1069427799.db2.gz HGURLPTVRPTXTO-NRFANRHFSA-N 1 1 453.469 3.889 20 0 JHADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001306689847 1069427191 /nfs/dbraw/zinc/42/71/91/1069427191.db2.gz ZYZDZHIBOSAQGO-UHFFFAOYSA-N 1 1 466.596 3.984 20 0 JHADMO CC1(C)CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1 ZINC001311537642 1069429907 /nfs/dbraw/zinc/42/99/07/1069429907.db2.gz VEQITGVHNPUHAL-PKTZIBPZSA-N 1 1 450.631 3.650 20 0 JHADMO CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001306696989 1069433142 /nfs/dbraw/zinc/43/31/42/1069433142.db2.gz ZNVVRYKIMDGENQ-OALUTQOASA-N 1 1 465.689 3.705 20 0 JHADMO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Cl ZINC001311566729 1069440914 /nfs/dbraw/zinc/44/09/14/1069440914.db2.gz BHCNUJZVFOLTBJ-QHCPKHFHSA-N 1 1 451.055 3.913 20 0 JHADMO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Cl ZINC001311583465 1069449894 /nfs/dbraw/zinc/44/98/94/1069449894.db2.gz SSCVRPLUPOZCQD-DJJJIMSYSA-N 1 1 453.345 3.840 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC001311590524 1069453571 /nfs/dbraw/zinc/45/35/71/1069453571.db2.gz QXBFEMPLBIKTFK-XNMGPUDCSA-N 1 1 475.637 3.885 20 0 JHADMO CCCCn1cc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c(C)n1 ZINC001306720454 1069454984 /nfs/dbraw/zinc/45/49/84/1069454984.db2.gz SOWQPKCAXDSWBO-LJQANCHMSA-N 1 1 453.610 3.892 20 0 JHADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001306720220 1069455128 /nfs/dbraw/zinc/45/51/28/1069455128.db2.gz HJFCDNJJZRHGAT-RTBURBONSA-N 1 1 488.599 3.619 20 0 JHADMO 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COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001312154532 1069753600 /nfs/dbraw/zinc/75/36/00/1069753600.db2.gz PYXWLMVKGRGIDW-UHFFFAOYSA-N 1 1 458.990 3.903 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(CC)Cc2ccccc2F)C1 ZINC001307036194 1069756221 /nfs/dbraw/zinc/75/62/21/1069756221.db2.gz MJULPORXAINZEV-LJQANCHMSA-N 1 1 465.577 3.823 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001307036481 1069757129 /nfs/dbraw/zinc/75/71/29/1069757129.db2.gz WOJVJPNEVFQRML-PKTZIBPZSA-N 1 1 497.688 3.618 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001307036428 1069757155 /nfs/dbraw/zinc/75/71/55/1069757155.db2.gz ZDDRKPHKGFTCLX-DLBZAZTESA-N 1 1 498.491 3.743 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001307039234 1069763620 /nfs/dbraw/zinc/76/36/20/1069763620.db2.gz SQPZDROZRBCQMR-VXKWHMMOSA-N 1 1 458.695 3.683 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2C)C1 ZINC001307039365 1069764080 /nfs/dbraw/zinc/76/40/80/1069764080.db2.gz VFZYKLQLAGPMRG-GOSISDBHSA-N 1 1 457.573 3.557 20 0 JHADMO O=C(NCCC1CCN(CC(F)(F)F)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001312184981 1069770454 /nfs/dbraw/zinc/77/04/54/1069770454.db2.gz MMBXCMJJPVRNJF-YADHBBJMSA-N 1 1 452.565 3.814 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)Nc2ccccc2CC)C1 ZINC001307042120 1069771336 /nfs/dbraw/zinc/77/13/36/1069771336.db2.gz IMKFEPWRBHCPLA-NFBKMPQASA-N 1 1 468.646 3.889 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001307042570 1069772328 /nfs/dbraw/zinc/77/23/28/1069772328.db2.gz TWXWEZBVGLAMLD-RUZDIDTESA-N 1 1 480.701 3.880 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307042655 1069773074 /nfs/dbraw/zinc/77/30/74/1069773074.db2.gz LDAYQFJKRKAOAR-NHCUHLMSSA-N 1 1 490.693 3.740 20 0 JHADMO CCOc1ccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001314196228 1069773745 /nfs/dbraw/zinc/77/37/45/1069773745.db2.gz ACKGYZMBWLQDFP-YSTOQKLRSA-N 1 1 457.619 3.913 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](CC)C2)C1 ZINC001307042985 1069773774 /nfs/dbraw/zinc/77/37/74/1069773774.db2.gz MRTNZOOYTOSJNA-BHDDXSALSA-N 1 1 490.693 3.740 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001307043626 1069775386 /nfs/dbraw/zinc/77/53/86/1069775386.db2.gz LPAZBMXKOZNTQX-MJGOQNOKSA-N 1 1 499.603 3.567 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC001307043987 1069776731 /nfs/dbraw/zinc/77/67/31/1069776731.db2.gz NJTNRCZGSCMFGY-FCHUYYIVSA-N 1 1 490.693 3.645 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1 ZINC001307044432 1069777386 /nfs/dbraw/zinc/77/73/86/1069777386.db2.gz FLZVTRHJOXPIAX-OAQYLSRUSA-N 1 1 478.682 3.630 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCC(CC(F)(F)F)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001307044774 1069779650 /nfs/dbraw/zinc/77/96/50/1069779650.db2.gz BMKUXUCLVQNQND-UGKGYDQZSA-N 1 1 473.584 3.831 20 0 JHADMO CC[C@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)CC[N@H+]1Cc1ccccc1 ZINC001312203977 1069778934 /nfs/dbraw/zinc/77/89/34/1069778934.db2.gz GFIAJRYWDUTERV-FQEVSTJZSA-N 1 1 458.990 3.983 20 0 JHADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001314197666 1069780355 /nfs/dbraw/zinc/78/03/55/1069780355.db2.gz NKUDZRKYTANJPA-SFTDATJTSA-N 1 1 498.672 3.641 20 0 JHADMO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001307045392 1069782286 /nfs/dbraw/zinc/78/22/86/1069782286.db2.gz WHQPVZNDOBJDJQ-FCHUYYIVSA-N 1 1 490.693 3.945 20 0 JHADMO CCC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1 ZINC001307045391 1069782326 /nfs/dbraw/zinc/78/23/26/1069782326.db2.gz WGZHADAYDZHHQO-UYAOXDASSA-N 1 1 471.646 3.669 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001307047400 1069789038 /nfs/dbraw/zinc/78/90/38/1069789038.db2.gz ZHVGBQURQIHRES-WFXMLNOXSA-N 1 1 497.562 3.754 20 0 JHADMO CCC[N@H+]1CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001307047699 1069790666 /nfs/dbraw/zinc/79/06/66/1069790666.db2.gz YPYBSOHSRGGXKT-FSSWDIPSSA-N 1 1 473.687 3.851 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCc3ccccc3N3CCCCC3)C2)cc(OC)c1 ZINC001312237308 1069798981 /nfs/dbraw/zinc/79/89/81/1069798981.db2.gz CFDQHVUQNGMJFP-QFIPXVFZSA-N 1 1 452.599 3.768 20 0 JHADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCc3ccccc3N3CCCCC3)C2)cc(OC)c1 ZINC001312237308 1069798994 /nfs/dbraw/zinc/79/89/94/1069798994.db2.gz CFDQHVUQNGMJFP-QFIPXVFZSA-N 1 1 452.599 3.768 20 0 JHADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)C2)cc(OC)c1 ZINC001312239109 1069801537 /nfs/dbraw/zinc/80/15/37/1069801537.db2.gz SHABEAXIZBMIQG-FYYLOGMGSA-N 1 1 452.599 3.589 20 0 JHADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)C2)cc(OC)c1 ZINC001312239109 1069801561 /nfs/dbraw/zinc/80/15/61/1069801561.db2.gz SHABEAXIZBMIQG-FYYLOGMGSA-N 1 1 452.599 3.589 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001307051668 1069804919 /nfs/dbraw/zinc/80/49/19/1069804919.db2.gz RLDTYAXCNNZMDT-QFIPXVFZSA-N 1 1 456.610 3.989 20 0 JHADMO COc1ccc(C2(CNC(=O)N[C@H]3CC[N@H+](Cc4cc(OC)cc(OC)c4)C3)CCC2)cc1 ZINC001312239652 1069802429 /nfs/dbraw/zinc/80/24/29/1069802429.db2.gz ZAOMQCVPYZTMPB-NRFANRHFSA-N 1 1 453.583 3.708 20 0 JHADMO COc1ccc(C2(CNC(=O)N[C@H]3CC[N@@H+](Cc4cc(OC)cc(OC)c4)C3)CCC2)cc1 ZINC001312239652 1069802446 /nfs/dbraw/zinc/80/24/46/1069802446.db2.gz ZAOMQCVPYZTMPB-NRFANRHFSA-N 1 1 453.583 3.708 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001307051038 1069802308 /nfs/dbraw/zinc/80/23/08/1069802308.db2.gz JMPITCISLOTZCT-OAQYLSRUSA-N 1 1 489.064 3.947 20 0 JHADMO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(Br)c1 ZINC001312251591 1069809952 /nfs/dbraw/zinc/80/99/52/1069809952.db2.gz QHFFPZSGPMGSRO-JXFKEZNVSA-N 1 1 450.377 3.781 20 0 JHADMO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Br)c1 ZINC001312251591 1069809988 /nfs/dbraw/zinc/80/99/88/1069809988.db2.gz QHFFPZSGPMGSRO-JXFKEZNVSA-N 1 1 450.377 3.781 20 0 JHADMO 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 1069810892 /nfs/dbraw/zinc/81/08/92/1069810892.db2.gz JAPFUBMPRGUHQZ-LMDOGRNLSA-N 1 1 455.986 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001307053209 1069811263 /nfs/dbraw/zinc/81/12/63/1069811263.db2.gz BHDABTXUIYNSII-QZTJIDSGSA-N 1 1 489.462 3.639 20 0 JHADMO C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C[N@H+]1Cc1ccccc1 ZINC001312254871 1069813254 /nfs/dbraw/zinc/81/32/54/1069813254.db2.gz UTNLSUMSCZDROV-UWJYYQICSA-N 1 1 455.990 3.758 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](COC)C1 ZINC001307053943 1069814323 /nfs/dbraw/zinc/81/43/23/1069814323.db2.gz GTSFITDHGRHJIB-FPOVZHCZSA-N 1 1 479.572 3.663 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001307054855 1069818474 /nfs/dbraw/zinc/81/84/74/1069818474.db2.gz NPTYRRMNDCKSGV-QWFCFKBJSA-N 1 1 475.037 3.648 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001307054853 1069818525 /nfs/dbraw/zinc/81/85/25/1069818525.db2.gz NPTYRRMNDCKSGV-CMKODMSKSA-N 1 1 475.037 3.648 20 0 JHADMO CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001314205687 1069815904 /nfs/dbraw/zinc/81/59/04/1069815904.db2.gz JKRURGLOYATMOP-JOCHJYFZSA-N 1 1 457.619 3.514 20 0 JHADMO CCOc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001314205687 1069815927 /nfs/dbraw/zinc/81/59/27/1069815927.db2.gz JKRURGLOYATMOP-JOCHJYFZSA-N 1 1 457.619 3.514 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 ZINC001307054816 1069817339 /nfs/dbraw/zinc/81/73/39/1069817339.db2.gz MVJUNDVHXGATAH-MRXNPFEDSA-N 1 1 451.413 3.525 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001307055116 1069820264 /nfs/dbraw/zinc/82/02/64/1069820264.db2.gz OSGNEGYFFGRVPP-LPHOPBHVSA-N 1 1 477.451 3.672 20 0 JHADMO CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1OC(F)F ZINC001314207299 1069820310 /nfs/dbraw/zinc/82/03/10/1069820310.db2.gz DMTHFXNOSYPPSP-FQEVSTJZSA-N 1 1 492.615 3.666 20 0 JHADMO O=C(NC[C@@H]1Cc2ccccc2CO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312264027 1069820535 /nfs/dbraw/zinc/82/05/35/1069820535.db2.gz AOJNZRWHIIKQBE-QFIPXVFZSA-N 1 1 458.400 3.854 20 0 JHADMO CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c1OC(F)F ZINC001314207300 1069820602 /nfs/dbraw/zinc/82/06/02/1069820602.db2.gz DMTHFXNOSYPPSP-HXUWFJFHSA-N 1 1 492.615 3.666 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001307056110 1069825083 /nfs/dbraw/zinc/82/50/83/1069825083.db2.gz BWNIJLGONKLOFM-FYYLOGMGSA-N 1 1 468.646 3.820 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001307056150 1069825247 /nfs/dbraw/zinc/82/52/47/1069825247.db2.gz CFGDAFOSEOAOCZ-FPOVZHCZSA-N 1 1 480.078 3.735 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001307056021 1069825333 /nfs/dbraw/zinc/82/53/33/1069825333.db2.gz SIIIVJFWYYIGTL-RPWUZVMVSA-N 1 1 481.689 3.936 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1 ZINC001307057145 1069829372 /nfs/dbraw/zinc/82/93/72/1069829372.db2.gz WIDVJFBSPYUMIN-INIZCTEOSA-N 1 1 453.454 3.853 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056832 1069830239 /nfs/dbraw/zinc/83/02/39/1069830239.db2.gz CJCAGKGTTUCJSQ-FGZHOGPDSA-N 1 1 491.677 3.676 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057235 1069833528 /nfs/dbraw/zinc/83/35/28/1069833528.db2.gz XBSMWUZMYSIPFE-NCXUSEDFSA-N 1 1 461.573 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001307057183 1069832257 /nfs/dbraw/zinc/83/22/57/1069832257.db2.gz HUEQTPUCOYAOGG-NJYVYQBISA-N 1 1 476.666 3.888 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001307057236 1069832932 /nfs/dbraw/zinc/83/29/32/1069832932.db2.gz XBSMWUZMYSIPFE-YDZRNGNQSA-N 1 1 461.573 3.901 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057384 1069833819 /nfs/dbraw/zinc/83/38/19/1069833819.db2.gz JIUOOMFUUAWCSO-RTWAWAEBSA-N 1 1 477.650 3.610 20 0 JHADMO CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC001314211414 1069835032 /nfs/dbraw/zinc/83/50/32/1069835032.db2.gz QGHICYJWQXPIHN-GGAORHGYSA-N 1 1 455.647 3.861 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001307057784 1069836018 /nfs/dbraw/zinc/83/60/18/1069836018.db2.gz ZKQXSSWCAZHTGF-OFNKIYASSA-N 1 1 488.702 3.537 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001307057944 1069836842 /nfs/dbraw/zinc/83/68/42/1069836842.db2.gz HGFPHRIZXCVMMZ-QFIPXVFZSA-N 1 1 472.703 3.890 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC ZINC001307057999 1069837347 /nfs/dbraw/zinc/83/73/47/1069837347.db2.gz KXWVGYAUHXDRGM-MOPGFXCFSA-N 1 1 450.628 3.655 20 0 JHADMO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC001312307764 1069852515 /nfs/dbraw/zinc/85/25/15/1069852515.db2.gz YKRBYLIARFGPEA-MOPGFXCFSA-N 1 1 452.361 3.805 20 0 JHADMO C[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC001312307764 1069852545 /nfs/dbraw/zinc/85/25/45/1069852545.db2.gz YKRBYLIARFGPEA-MOPGFXCFSA-N 1 1 452.361 3.805 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001307061668 1069854171 /nfs/dbraw/zinc/85/41/71/1069854171.db2.gz HFNZFNZVCUIWQH-LEWJYISDSA-N 1 1 455.651 3.526 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001307062505 1069857702 /nfs/dbraw/zinc/85/77/02/1069857702.db2.gz JTFXWJYSQLMKKO-SFTDATJTSA-N 1 1 469.634 3.628 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001307063166 1069862039 /nfs/dbraw/zinc/86/20/39/1069862039.db2.gz MULOPECINIPVJL-LJQANCHMSA-N 1 1 483.617 3.737 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001307064236 1069865149 /nfs/dbraw/zinc/86/51/49/1069865149.db2.gz BAMXHJHZRQGNBT-YTFSRNRJSA-N 1 1 488.721 3.766 20 0 JHADMO 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 1069867401 /nfs/dbraw/zinc/86/74/01/1069867401.db2.gz DJIMNWYVJAFCIE-CZYKHXBRSA-N 1 1 490.693 3.929 20 0 JHADMO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001307064921 1069868196 /nfs/dbraw/zinc/86/81/96/1069868196.db2.gz VEKKPBUOGWNZPR-UHFFFAOYSA-N 1 1 465.017 3.917 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC(C)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001314220750 1069868457 /nfs/dbraw/zinc/86/84/57/1069868457.db2.gz PNASPYFEMNKSKX-JOCHJYFZSA-N 1 1 471.646 3.849 20 0 JHADMO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001307065291 1069870401 /nfs/dbraw/zinc/87/04/01/1069870401.db2.gz MHXSYDLVDPUCRS-QFIPXVFZSA-N 1 1 488.627 3.716 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307066707 1069875464 /nfs/dbraw/zinc/87/54/64/1069875464.db2.gz JSBVFWCLAWKOPO-NHCUHLMSSA-N 1 1 478.682 3.772 20 0 JHADMO CCCN1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001307066457 1069875535 /nfs/dbraw/zinc/87/55/35/1069875535.db2.gz OSMOZYUEZPQVIB-HXUWFJFHSA-N 1 1 489.064 3.548 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)CC2)n1CCn1cc[nH+]c1C ZINC001314221750 1069873437 /nfs/dbraw/zinc/87/34/37/1069873437.db2.gz DTJBWAIHBBCSPC-VWLOTQADSA-N 1 1 468.602 3.856 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 ZINC001307067968 1069879544 /nfs/dbraw/zinc/87/95/44/1069879544.db2.gz MYFRUBTXXPSLEI-IFMALSPDSA-N 1 1 478.037 3.627 20 0 JHADMO CCCN1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001307067651 1069878242 /nfs/dbraw/zinc/87/82/42/1069878242.db2.gz XLXLQSVIPLZPQT-VXKWHMMOSA-N 1 1 489.064 3.925 20 0 JHADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H](c1ccccc1)C1(CO)CCC1 ZINC001312348700 1069878520 /nfs/dbraw/zinc/87/85/20/1069878520.db2.gz MIZFPGOAVNUPEG-HSZRJFAPSA-N 1 1 457.018 3.665 20 0 JHADMO CCCN1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001307067649 1069878549 /nfs/dbraw/zinc/87/85/49/1069878549.db2.gz XLXLQSVIPLZPQT-FCHUYYIVSA-N 1 1 489.064 3.925 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001314224353 1069885254 /nfs/dbraw/zinc/88/52/54/1069885254.db2.gz BALQFZVQBHSLOW-OAQYLSRUSA-N 1 1 498.672 3.577 20 0 JHADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC001307070190 1069884926 /nfs/dbraw/zinc/88/49/26/1069884926.db2.gz YTYPTJJFJFDRPK-SFHVURJKSA-N 1 1 469.590 3.713 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001314225039 1069888625 /nfs/dbraw/zinc/88/86/25/1069888625.db2.gz WSKJKPSBWURFBT-FGZHOGPDSA-N 1 1 471.646 3.851 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1cccnc1 ZINC001314225867 1069892668 /nfs/dbraw/zinc/89/26/68/1069892668.db2.gz BMCCGLLJDHQNDY-UHFFFAOYSA-N 1 1 464.614 3.814 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001314226854 1069899112 /nfs/dbraw/zinc/89/91/12/1069899112.db2.gz IVOLAWFPRXJPSM-GGAORHGYSA-N 1 1 498.672 3.577 20 0 JHADMO CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001312391150 1069904271 /nfs/dbraw/zinc/90/42/71/1069904271.db2.gz GHZSFSZASUQQKE-UGKGYDQZSA-N 1 1 458.965 3.890 20 0 JHADMO CCOc1ccccc1OCc1nnc(N2CCOC[C@@H]2C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001314229794 1069914152 /nfs/dbraw/zinc/91/41/52/1069914152.db2.gz XIOQJOPUZJHOPX-LEWJYISDSA-N 1 1 457.619 3.745 20 0 JHADMO Cc1cccc2c1OC[C@@H](NC(=O)NCCc1ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc1)C2 ZINC001312406303 1069914134 /nfs/dbraw/zinc/91/41/34/1069914134.db2.gz VYSXTNJFHXWRQH-IMSXRSKXSA-N 1 1 451.611 3.807 20 0 JHADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCn3cnc(C(F)(F)F)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312410639 1069916152 /nfs/dbraw/zinc/91/61/52/1069916152.db2.gz CAOXCEPCYVCJMS-SUMWQHHRSA-N 1 1 459.875 3.913 20 0 JHADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC001312416157 1069921409 /nfs/dbraw/zinc/92/14/09/1069921409.db2.gz PTDXUQURQAQPRZ-GOSISDBHSA-N 1 1 451.493 3.570 20 0 JHADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001312444405 1069941290 /nfs/dbraw/zinc/94/12/90/1069941290.db2.gz STSBTTSPDHYBHL-RADWXHQJSA-N 1 1 458.965 3.652 20 0 JHADMO C[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001312482034 1069963024 /nfs/dbraw/zinc/96/30/24/1069963024.db2.gz VZGKLDHLMJXIOW-YTQUADARSA-N 1 1 452.437 3.552 20 0 JHADMO C[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H](O)c1c(F)cccc1Cl ZINC001312488943 1069967769 /nfs/dbraw/zinc/96/77/69/1069967769.db2.gz OXFFIWHAOBAEHM-XPIZARPCSA-N 1 1 451.995 3.818 20 0 JHADMO C[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@H](O)c1c(F)cccc1Cl ZINC001312488943 1069967781 /nfs/dbraw/zinc/96/77/81/1069967781.db2.gz OXFFIWHAOBAEHM-XPIZARPCSA-N 1 1 451.995 3.818 20 0 JHADMO COc1ccc(CCC[N@@H+](C)C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)cc1 ZINC001307426434 1069978501 /nfs/dbraw/zinc/97/85/01/1069978501.db2.gz JMFPZGUTYNRURZ-QFIPXVFZSA-N 1 1 450.501 3.740 20 0 JHADMO CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1(C)C ZINC001314251654 1069980206 /nfs/dbraw/zinc/98/02/06/1069980206.db2.gz PRYIQEQDNPNQEH-VXKWHMMOSA-N 1 1 489.636 3.747 20 0 JHADMO CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1(C)C ZINC001314251654 1069980214 /nfs/dbraw/zinc/98/02/14/1069980214.db2.gz PRYIQEQDNPNQEH-VXKWHMMOSA-N 1 1 489.636 3.747 20 0 JHADMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1cccc(Br)c1 ZINC001307433430 1069983124 /nfs/dbraw/zinc/98/31/24/1069983124.db2.gz HVFRFFLWYXBDNT-UHFFFAOYSA-N 1 1 457.376 3.811 20 0 JHADMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1cccc(Br)c1 ZINC001307433430 1069983130 /nfs/dbraw/zinc/98/31/30/1069983130.db2.gz HVFRFFLWYXBDNT-UHFFFAOYSA-N 1 1 457.376 3.811 20 0 JHADMO CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(F)cc3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314253156 1069985156 /nfs/dbraw/zinc/98/51/56/1069985156.db2.gz UUTJVUMWHWPQFD-SFTDATJTSA-N 1 1 456.566 3.841 20 0 JHADMO O=C(OCc1ccccc1)N1CCC[C@](O)(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC001307441655 1069985588 /nfs/dbraw/zinc/98/55/88/1069985588.db2.gz INJWWQFURKWWBD-AHWVRZQESA-N 1 1 456.558 3.970 20 0 JHADMO CCC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307459993 1069997553 /nfs/dbraw/zinc/99/75/53/1069997553.db2.gz AGMVNTVJTXGJFA-FQEVSTJZSA-N 1 1 459.566 3.980 20 0 JHADMO CCC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307459993 1069997564 /nfs/dbraw/zinc/99/75/64/1069997564.db2.gz AGMVNTVJTXGJFA-FQEVSTJZSA-N 1 1 459.566 3.980 20 0 JHADMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001307454245 1069994643 /nfs/dbraw/zinc/99/46/43/1069994643.db2.gz NVBICRYDXSSZFN-YCRPNKLZSA-N 1 1 454.958 3.502 20 0 JHADMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001307464512 1070000533 /nfs/dbraw/zinc/00/05/33/1070000533.db2.gz FAJCMAZKSOOFQG-ZIAGYGMSSA-N 1 1 455.502 3.960 20 0 JHADMO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001307466642 1070001569 /nfs/dbraw/zinc/00/15/69/1070001569.db2.gz SSVJHLWDDVFQMJ-JOCHJYFZSA-N 1 1 453.656 3.656 20 0 JHADMO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001307466642 1070001583 /nfs/dbraw/zinc/00/15/83/1070001583.db2.gz SSVJHLWDDVFQMJ-JOCHJYFZSA-N 1 1 453.656 3.656 20 0 JHADMO COc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC2)c1 ZINC001307465863 1070001650 /nfs/dbraw/zinc/00/16/50/1070001650.db2.gz XWMUWZGPAXLZJG-VGOFRKELSA-N 1 1 458.400 3.942 20 0 JHADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC001307473921 1070006246 /nfs/dbraw/zinc/00/62/46/1070006246.db2.gz UXSVBBDCCKIJEA-DENIHFKCSA-N 1 1 454.567 3.955 20 0 JHADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC001307473921 1070006262 /nfs/dbraw/zinc/00/62/62/1070006262.db2.gz UXSVBBDCCKIJEA-DENIHFKCSA-N 1 1 454.567 3.955 20 0 JHADMO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CCC[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC001307480964 1070008930 /nfs/dbraw/zinc/00/89/30/1070008930.db2.gz WYXRIHLEBXKBDH-RZYZOOPGSA-N 1 1 457.596 3.502 20 0 JHADMO CCc1ccc(C[NH+]2CCN(CC(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC001307484624 1070011127 /nfs/dbraw/zinc/01/11/27/1070011127.db2.gz MRPVQANDVLGBIP-UHFFFAOYSA-N 1 1 455.546 3.686 20 0 JHADMO CCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001314266078 1070015436 /nfs/dbraw/zinc/01/54/36/1070015436.db2.gz SHQRYHLBJQSQEC-KNQAVFIVSA-N 1 1 461.054 3.630 20 0 JHADMO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307491133 1070015762 /nfs/dbraw/zinc/01/57/62/1070015762.db2.gz SNJNHUJTFWTMDC-OAHLLOKOSA-N 1 1 459.418 3.805 20 0 JHADMO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001307491133 1070015777 /nfs/dbraw/zinc/01/57/77/1070015777.db2.gz SNJNHUJTFWTMDC-OAHLLOKOSA-N 1 1 459.418 3.805 20 0 JHADMO 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CC[C@@H](C[N@@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1 ZINC001307702348 1070135762 /nfs/dbraw/zinc/13/57/62/1070135762.db2.gz INRBOQBHIFZRKO-IBGZPJMESA-N 1 1 456.612 3.611 20 0 JHADMO CC(=O)N(c1nc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705080 1070136898 /nfs/dbraw/zinc/13/68/98/1070136898.db2.gz OZSOIVHTQFAELG-LSDHHAIUSA-N 1 1 456.534 3.733 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707963 1070137692 /nfs/dbraw/zinc/13/76/92/1070137692.db2.gz RHYCBKURIALTLY-NYVOZVTQSA-N 1 1 455.565 3.923 20 0 JHADMO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707964 1070138047 /nfs/dbraw/zinc/13/80/47/1070138047.db2.gz RHYCBKURIALTLY-YUXAGFNASA-N 1 1 455.565 3.923 20 0 JHADMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712438 1070139480 /nfs/dbraw/zinc/13/94/80/1070139480.db2.gz KSKGISCSHULAPJ-AZGAKELHSA-N 1 1 456.558 3.665 20 0 JHADMO CCOCc1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001314341452 1070141046 /nfs/dbraw/zinc/14/10/46/1070141046.db2.gz HNOCNMBZXYYJJD-OFNKIYASSA-N 1 1 461.676 3.948 20 0 JHADMO COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)C[C@H]2O ZINC001312825338 1070144823 /nfs/dbraw/zinc/14/48/23/1070144823.db2.gz VXAMUBHJUPGGFT-RBBKRZOGSA-N 1 1 453.583 3.565 20 0 JHADMO CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001314343028 1070145727 /nfs/dbraw/zinc/14/57/27/1070145727.db2.gz QOHNCUGWVBPHIO-XPWALMASSA-N 1 1 485.673 3.916 20 0 JHADMO O=C(C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 ZINC001307723298 1070147583 /nfs/dbraw/zinc/14/75/83/1070147583.db2.gz BQZRPUVAPQSYBH-GOSISDBHSA-N 1 1 455.864 3.513 20 0 JHADMO Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841081 1070150393 /nfs/dbraw/zinc/15/03/93/1070150393.db2.gz YZHPKDXXFLUHBX-FXVJXKIMSA-N 1 1 477.580 3.841 20 0 JHADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001307748281 1070163837 /nfs/dbraw/zinc/16/38/37/1070163837.db2.gz GAIUTKDQNNDZAA-FQEVSTJZSA-N 1 1 458.603 3.911 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001312883554 1070165458 /nfs/dbraw/zinc/16/54/58/1070165458.db2.gz BEYKGHGFUXWGQA-BAGYTPMASA-N 1 1 465.516 3.575 20 0 JHADMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772798 1070177174 /nfs/dbraw/zinc/17/71/74/1070177174.db2.gz IKLDHQLLNNWNCK-RTBURBONSA-N 1 1 459.587 3.771 20 0 JHADMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)C(=O)N(C)C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC001307788700 1070182859 /nfs/dbraw/zinc/18/28/59/1070182859.db2.gz AOKFWZXIZHFIFL-ZJSXRUAMSA-N 1 1 451.611 3.615 20 0 JHADMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001307787005 1070182041 /nfs/dbraw/zinc/18/20/41/1070182041.db2.gz PEPKCQHEWKMFFB-AEFFLSMTSA-N 1 1 454.352 3.819 20 0 JHADMO CC(C)n1cc(C2=CCC[N@H+](CC(=O)NCCOc3ccc(C(F)(F)F)cc3)CC2)nn1 ZINC001307794570 1070184670 /nfs/dbraw/zinc/18/46/70/1070184670.db2.gz UMNJPZZSPMHBJU-UHFFFAOYSA-N 1 1 451.493 3.552 20 0 JHADMO CC(C)n1cc(C2=CCC[N@@H+](CC(=O)NCCOc3ccc(C(F)(F)F)cc3)CC2)nn1 ZINC001307794570 1070184678 /nfs/dbraw/zinc/18/46/78/1070184678.db2.gz UMNJPZZSPMHBJU-UHFFFAOYSA-N 1 1 451.493 3.552 20 0 JHADMO Cn1cc([C@@H]([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C2(CO)CCC2)cn1 ZINC001307799503 1070187078 /nfs/dbraw/zinc/18/70/78/1070187078.db2.gz CPKXMIFYLKYRDS-TZIWHRDSSA-N 1 1 451.398 3.884 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001314362727 1070187445 /nfs/dbraw/zinc/18/74/45/1070187445.db2.gz BIUZCGJKKKCVGV-AVRDEDQJSA-N 1 1 472.037 3.888 20 0 JHADMO CCOCc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001314363323 1070188943 /nfs/dbraw/zinc/18/89/43/1070188943.db2.gz DCJCDUBFGWINHD-QUCCMNQESA-N 1 1 478.588 3.950 20 0 JHADMO O=C(CC[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 ZINC001307803860 1070190538 /nfs/dbraw/zinc/19/05/38/1070190538.db2.gz ZOQYMMUQVWOZPY-VWLOTQADSA-N 1 1 455.558 3.679 20 0 JHADMO O=C(CC[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 ZINC001307803860 1070190547 /nfs/dbraw/zinc/19/05/47/1070190547.db2.gz ZOQYMMUQVWOZPY-VWLOTQADSA-N 1 1 455.558 3.679 20 0 JHADMO C[C@H](NC(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810271 1070193401 /nfs/dbraw/zinc/19/34/01/1070193401.db2.gz ASZHSDQWHABYQP-KSFYIVLOSA-N 1 1 454.464 3.829 20 0 JHADMO CCOCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001314366337 1070198189 /nfs/dbraw/zinc/19/81/89/1070198189.db2.gz ULZGUMBCYSEFHA-ZRCGQRJVSA-N 1 1 488.702 3.700 20 0 JHADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](C)[C@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820520 1070200141 /nfs/dbraw/zinc/20/01/41/1070200141.db2.gz LCTPANHOLJYIMN-DQEYMECFSA-N 1 1 451.611 3.517 20 0 JHADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](C)[C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820521 1070200435 /nfs/dbraw/zinc/20/04/35/1070200435.db2.gz LCTPANHOLJYIMN-JWQCQUIFSA-N 1 1 451.611 3.517 20 0 JHADMO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC001307824164 1070200989 /nfs/dbraw/zinc/20/09/89/1070200989.db2.gz UKBMSMMTSCWTBO-RTBURBONSA-N 1 1 454.409 3.989 20 0 JHADMO COc1ccc([C@@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)Cc2ccccc2)cc1 ZINC001307843280 1070208752 /nfs/dbraw/zinc/20/87/52/1070208752.db2.gz LRWOTIVHBDKVDS-FNZWTVRRSA-N 1 1 458.558 3.958 20 0 JHADMO 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 1070210323 /nfs/dbraw/zinc/21/03/23/1070210323.db2.gz NTTZVWMPBBDWBP-DUXKGJEZSA-N 1 1 450.599 3.947 20 0 JHADMO CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001312989226 1070211981 /nfs/dbraw/zinc/21/19/81/1070211981.db2.gz XBXCIGBLIDJDRV-KJXAQDMKSA-N 1 1 450.583 3.668 20 0 JHADMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307859014 1070213050 /nfs/dbraw/zinc/21/30/50/1070213050.db2.gz NOBZRKIDPQUJET-GUDVDZBRSA-N 1 1 454.615 3.924 20 0 JHADMO COC(=O)[C@@H]1C[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC001307860823 1070214687 /nfs/dbraw/zinc/21/46/87/1070214687.db2.gz OQXCEPAGMRGVFX-ZWKOTPCHSA-N 1 1 455.393 3.895 20 0 JHADMO O=C(CC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862656 1070215362 /nfs/dbraw/zinc/21/53/62/1070215362.db2.gz BWQIFLALSUZYPC-HNNXBMFYSA-N 1 1 450.299 3.624 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001314377276 1070218764 /nfs/dbraw/zinc/21/87/64/1070218764.db2.gz DAGDTGZBSZRVGC-FQEVSTJZSA-N 1 1 498.569 3.550 20 0 JHADMO 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 1070219951 /nfs/dbraw/zinc/21/99/51/1070219951.db2.gz LBQACARRKDYYDS-KKPNIWNPSA-N 1 1 460.615 3.804 20 0 JHADMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001314379389 1070222362 /nfs/dbraw/zinc/22/23/62/1070222362.db2.gz UVDBYOACPLFHRR-UHFFFAOYSA-N 1 1 452.603 3.861 20 0 JHADMO O=C(N1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC12CCCCC2)C(F)(F)F ZINC001307886892 1070226236 /nfs/dbraw/zinc/22/62/36/1070226236.db2.gz XQQLFODWWXKSMZ-OAQYLSRUSA-N 1 1 453.549 3.687 20 0 JHADMO 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 1070224771 /nfs/dbraw/zinc/22/47/71/1070224771.db2.gz DGLYZQRXXXNLPV-BDHVOXNPSA-N 1 1 451.652 3.950 20 0 JHADMO CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1OC ZINC001307906205 1070233268 /nfs/dbraw/zinc/23/32/68/1070233268.db2.gz BSETVFTWSREDDJ-ABSDTBQOSA-N 1 1 456.587 3.732 20 0 JHADMO CCOC(=O)c1c(NC(=O)CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)sc2c1CCC2 ZINC001307911092 1070235793 /nfs/dbraw/zinc/23/57/93/1070235793.db2.gz VWMXQKXSGQIADN-IBGZPJMESA-N 1 1 455.624 3.601 20 0 JHADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)N(Cc1ccccc1)C1CC1 ZINC001307916658 1070239379 /nfs/dbraw/zinc/23/93/79/1070239379.db2.gz HFARWNZAYHHGAG-TZIWHRDSSA-N 1 1 451.533 3.833 20 0 JHADMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)C1)C(F)(F)F ZINC001307917023 1070240120 /nfs/dbraw/zinc/24/01/20/1070240120.db2.gz MYVGKZVEHJSYOW-FGZHOGPDSA-N 1 1 453.549 3.674 20 0 JHADMO CCOCc1nnc(N2CCN(c3ccccc3F)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314390018 1070242577 /nfs/dbraw/zinc/24/25/77/1070242577.db2.gz JFINJKJUHMXZOI-OYRHEFFESA-N 1 1 458.626 3.648 20 0 JHADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC001313088736 1070246366 /nfs/dbraw/zinc/24/63/66/1070246366.db2.gz IXXXSELDYCFHIM-JOCHJYFZSA-N 1 1 456.581 3.745 20 0 JHADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC001313088736 1070246378 /nfs/dbraw/zinc/24/63/78/1070246378.db2.gz IXXXSELDYCFHIM-JOCHJYFZSA-N 1 1 456.581 3.745 20 0 JHADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC001313092769 1070249082 /nfs/dbraw/zinc/24/90/82/1070249082.db2.gz CBTFNCVAKVLXBF-HSZRJFAPSA-N 1 1 453.656 3.688 20 0 JHADMO COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCC3CC[NH+](C(C)C)CC3)CC2)c1C ZINC001313093344 1070249132 /nfs/dbraw/zinc/24/91/32/1070249132.db2.gz ZUDMXHVXVMPHQN-UHFFFAOYSA-N 1 1 459.679 3.823 20 0 JHADMO CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1ccsc1)N(C)C ZINC001314395801 1070254920 /nfs/dbraw/zinc/25/49/20/1070254920.db2.gz GYVFRGQCGRWWLM-REWPJTCUSA-N 1 1 468.671 3.890 20 0 JHADMO CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1ccsc1)N(C)C ZINC001314395801 1070254929 /nfs/dbraw/zinc/25/49/29/1070254929.db2.gz GYVFRGQCGRWWLM-REWPJTCUSA-N 1 1 468.671 3.890 20 0 JHADMO CCOCc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314395801 1070254938 /nfs/dbraw/zinc/25/49/38/1070254938.db2.gz GYVFRGQCGRWWLM-REWPJTCUSA-N 1 1 468.671 3.890 20 0 JHADMO CCOCc1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314402438 1070264708 /nfs/dbraw/zinc/26/47/08/1070264708.db2.gz FJJFIJPYERJKCK-FUPPJEDESA-N 1 1 471.646 3.589 20 0 JHADMO 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 1070265671 /nfs/dbraw/zinc/26/56/71/1070265671.db2.gz KZSIOOVBHOXZCC-HBUYNFGHSA-N 1 1 457.640 3.537 20 0 JHADMO CCOCc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001314408849 1070273137 /nfs/dbraw/zinc/27/31/37/1070273137.db2.gz PZKFTPNWUNPRPH-YLJYHZDGSA-N 1 1 467.536 3.896 20 0 JHADMO Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](c4ccc(F)cc4)C3(C)C)CC2)nc(C(C)C)n1 ZINC001307994359 1070273254 /nfs/dbraw/zinc/27/32/54/1070273254.db2.gz XWDDVESZCLCAFY-JOCHJYFZSA-N 1 1 453.606 3.964 20 0 JHADMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001307989306 1070272063 /nfs/dbraw/zinc/27/20/63/1070272063.db2.gz JOIKQUCXQDQGRT-AREMUKBSSA-N 1 1 454.567 3.884 20 0 JHADMO 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3.626 20 0 JHADMO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4C)CCO3)C2)cc1 ZINC001313175786 1070282276 /nfs/dbraw/zinc/28/22/76/1070282276.db2.gz IVNDZAJGNUFJHH-CLJLJLNGSA-N 1 1 450.627 3.815 20 0 JHADMO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)C2)cc1 ZINC001313175786 1070282289 /nfs/dbraw/zinc/28/22/89/1070282289.db2.gz IVNDZAJGNUFJHH-CLJLJLNGSA-N 1 1 450.627 3.815 20 0 JHADMO COc1ccccc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC001308026988 1070284569 /nfs/dbraw/zinc/28/45/69/1070284569.db2.gz MVEVEOFZJYQKRV-QZTJIDSGSA-N 1 1 453.539 3.773 20 0 JHADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184032 1070284919 /nfs/dbraw/zinc/28/49/19/1070284919.db2.gz CULBVEZZJMGJKZ-FXAWDEMLSA-N 1 1 450.352 3.504 20 0 JHADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184040 1070285176 /nfs/dbraw/zinc/28/51/76/1070285176.db2.gz CULBVEZZJMGJKZ-YLJYHZDGSA-N 1 1 450.352 3.504 20 0 JHADMO 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CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1)C(C)C ZINC001313821478 1071283322 /nfs/dbraw/zinc/28/33/22/1071283322.db2.gz YGXUIFMHNTXZPT-HSZRJFAPSA-N 1 1 470.568 3.850 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn[nH]c1 ZINC001314871695 1071284937 /nfs/dbraw/zinc/28/49/37/1071284937.db2.gz NOMDBTZUCRJLTJ-UHFFFAOYSA-N 1 1 478.428 3.765 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn[nH]c1 ZINC001314871695 1071284942 /nfs/dbraw/zinc/28/49/42/1071284942.db2.gz NOMDBTZUCRJLTJ-UHFFFAOYSA-N 1 1 478.428 3.765 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001314871861 1071284952 /nfs/dbraw/zinc/28/49/52/1071284952.db2.gz DYUCBMPNRLHBKG-BWKNWUBXSA-N 1 1 492.064 3.628 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001314871861 1071284960 /nfs/dbraw/zinc/28/49/60/1071284960.db2.gz DYUCBMPNRLHBKG-BWKNWUBXSA-N 1 1 492.064 3.628 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C ZINC001314872004 1071286347 /nfs/dbraw/zinc/28/63/47/1071286347.db2.gz GNGXMXZXXKAQED-NRFANRHFSA-N 1 1 476.065 3.884 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C ZINC001314872004 1071286353 /nfs/dbraw/zinc/28/63/53/1071286353.db2.gz GNGXMXZXXKAQED-NRFANRHFSA-N 1 1 476.065 3.884 20 0 JHADMO CC[N@@H+](CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)C(C)C ZINC001313822992 1071287653 /nfs/dbraw/zinc/28/76/53/1071287653.db2.gz VPANRUXQFRMLEW-JOCHJYFZSA-N 1 1 479.673 3.705 20 0 JHADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001313823226 1071288313 /nfs/dbraw/zinc/28/83/13/1071288313.db2.gz YSCYHRRHHNEXQW-UHFFFAOYSA-N 1 1 466.552 3.786 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccsc1 ZINC001314872855 1071289078 /nfs/dbraw/zinc/28/90/78/1071289078.db2.gz QHKKYSSJGLPKJD-WOJBJXKFSA-N 1 1 461.676 3.854 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccsc1 ZINC001314872855 1071289091 /nfs/dbraw/zinc/28/90/91/1071289091.db2.gz QHKKYSSJGLPKJD-WOJBJXKFSA-N 1 1 461.676 3.854 20 0 JHADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1CCCOC(F)(F)F ZINC001314873079 1071289729 /nfs/dbraw/zinc/28/97/29/1071289729.db2.gz SZYBFJVHJJRAET-UHFFFAOYSA-N 1 1 491.505 3.621 20 0 JHADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1CCCOC(F)(F)F ZINC001314873079 1071289733 /nfs/dbraw/zinc/28/97/33/1071289733.db2.gz SZYBFJVHJJRAET-UHFFFAOYSA-N 1 1 491.505 3.621 20 0 JHADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001310311731 1071292744 /nfs/dbraw/zinc/29/27/44/1071292744.db2.gz GQRYHDFDPNKACM-UHFFFAOYSA-N 1 1 459.974 3.922 20 0 JHADMO CC(C)OC(=O)NCc1ccc(NC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001310311007 1071292850 /nfs/dbraw/zinc/29/28/50/1071292850.db2.gz AXFASZPCBDULEO-HXUWFJFHSA-N 1 1 453.587 3.653 20 0 JHADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)CCC(F)(F)F ZINC001313826543 1071296355 /nfs/dbraw/zinc/29/63/55/1071296355.db2.gz LEVOKMPGMYCHSP-DENIHFKCSA-N 1 1 485.526 3.641 20 0 JHADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C)C1CC1 ZINC001313827453 1071299429 /nfs/dbraw/zinc/29/94/29/1071299429.db2.gz WUCUFRKCXBQSIU-HKUYNNGSSA-N 1 1 464.680 3.776 20 0 JHADMO CN(CCOc1ccccc1Cl)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314882256 1071308420 /nfs/dbraw/zinc/30/84/20/1071308420.db2.gz OHZAJPBGPKYBAW-UHFFFAOYSA-N 1 1 489.064 3.947 20 0 JHADMO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001314885979 1071314682 /nfs/dbraw/zinc/31/46/82/1071314682.db2.gz JVYXQLWWQLZJNL-NRFANRHFSA-N 1 1 480.078 3.876 20 0 JHADMO CN(OC1CCCC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001314890327 1071319098 /nfs/dbraw/zinc/31/90/98/1071319098.db2.gz FWNHDBXGZRSZLU-UHFFFAOYSA-N 1 1 465.545 3.968 20 0 JHADMO CN(OC1CCCC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001314890327 1071319117 /nfs/dbraw/zinc/31/91/17/1071319117.db2.gz FWNHDBXGZRSZLU-UHFFFAOYSA-N 1 1 465.545 3.968 20 0 JHADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1 ZINC001314893481 1071324640 /nfs/dbraw/zinc/32/46/40/1071324640.db2.gz RIUDDWXLCKCAHJ-NBGIEHNGSA-N 1 1 498.720 3.568 20 0 JHADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C2CCC2)n1CC(F)(F)Br ZINC001314893789 1071324974 /nfs/dbraw/zinc/32/49/74/1071324974.db2.gz UIKXDVBJQKUIKK-DOTOQJQBSA-N 1 1 486.409 3.786 20 0 JHADMO CCOC(=O)c1cc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc(C(=O)OCC)c1 ZINC001310340335 1071323436 /nfs/dbraw/zinc/32/34/36/1071323436.db2.gz KUKZRQVTPDYKRZ-JOCHJYFZSA-N 1 1 453.539 3.778 20 0 JHADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2)CC1 ZINC001310386929 1071359256 /nfs/dbraw/zinc/35/92/56/1071359256.db2.gz UCXCIJUPKGBTDE-JOCHJYFZSA-N 1 1 454.546 3.568 20 0 JHADMO Cn1cccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001314917314 1071359764 /nfs/dbraw/zinc/35/97/64/1071359764.db2.gz GRZZBYMQBGZXFL-UHFFFAOYSA-N 1 1 473.572 3.681 20 0 JHADMO Cn1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1=O ZINC001310387899 1071360446 /nfs/dbraw/zinc/36/04/46/1071360446.db2.gz QJTPFXSPMMKAQW-YLJYHZDGSA-N 1 1 459.388 3.666 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313858628 1071360478 /nfs/dbraw/zinc/36/04/78/1071360478.db2.gz BKTRXYYZSXZNJC-ISJBWFOZSA-N 1 1 470.662 3.610 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313859622 1071365499 /nfs/dbraw/zinc/36/54/99/1071365499.db2.gz HHXOHLYYOLXOGV-DLBZAZTESA-N 1 1 495.466 3.540 20 0 JHADMO CN(Cc1cscn1)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314924636 1071367606 /nfs/dbraw/zinc/36/76/06/1071367606.db2.gz VMMCZWDNLLRTEG-LJQANCHMSA-N 1 1 497.850 3.521 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001314928674 1071371475 /nfs/dbraw/zinc/37/14/75/1071371475.db2.gz PGAPHAKPSIVTNY-HXUWFJFHSA-N 1 1 480.078 3.732 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001314925370 1071368208 /nfs/dbraw/zinc/36/82/08/1071368208.db2.gz XRUBURDRTMZOGX-OAQYLSRUSA-N 1 1 470.637 3.798 20 0 JHADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(Cl)cc2)CC1 ZINC001314925204 1071368273 /nfs/dbraw/zinc/36/82/73/1071368273.db2.gz UCOXDTOEUUFGJB-NRFANRHFSA-N 1 1 473.065 3.506 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313860486 1071369847 /nfs/dbraw/zinc/36/98/47/1071369847.db2.gz LGMVDOFOFJNRKO-ROUUACIJSA-N 1 1 478.588 3.628 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(F)F)C[C@@H]1C ZINC001313860715 1071370923 /nfs/dbraw/zinc/37/09/23/1071370923.db2.gz KWQRONJSCMKYTP-JKSUJKDBSA-N 1 1 483.633 3.511 20 0 JHADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001314928921 1071371200 /nfs/dbraw/zinc/37/12/00/1071371200.db2.gz QGRPGNCLKLSBCJ-JOCHJYFZSA-N 1 1 484.664 3.975 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@H]1C ZINC001313861538 1071373867 /nfs/dbraw/zinc/37/38/67/1071373867.db2.gz NNQQPZPCCUKTMH-AOIWGVFYSA-N 1 1 450.027 3.931 20 0 JHADMO C[N@H+]1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1(C)C ZINC001314932040 1071377485 /nfs/dbraw/zinc/37/74/85/1071377485.db2.gz XCOGHGPSTRJGDK-FQEVSTJZSA-N 1 1 472.653 3.895 20 0 JHADMO 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 ZINC001313860955 1071372209 /nfs/dbraw/zinc/37/22/09/1071372209.db2.gz NQISBXYSEAXOAY-VKRLORBYSA-N 1 1 479.572 3.517 20 0 JHADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313863346 1071381554 /nfs/dbraw/zinc/38/15/54/1071381554.db2.gz DBRRFDVMGDWNMP-JTAQYXEDSA-N 1 1 475.081 3.874 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313863346 1071381564 /nfs/dbraw/zinc/38/15/64/1071381564.db2.gz DBRRFDVMGDWNMP-JTAQYXEDSA-N 1 1 475.081 3.874 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313863560 1071382283 /nfs/dbraw/zinc/38/22/83/1071382283.db2.gz WHPHTESNQFFPDY-CVEARBPZSA-N 1 1 488.434 3.601 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@@H]1C ZINC001313863819 1071383243 /nfs/dbraw/zinc/38/32/43/1071383243.db2.gz TWTOGFJKGVZGNK-FHWLQOOXSA-N 1 1 450.027 3.817 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313863845 1071383255 /nfs/dbraw/zinc/38/32/55/1071383255.db2.gz UHSOCMKVSOHVOP-SFTDATJTSA-N 1 1 452.647 3.535 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313862866 1071379080 /nfs/dbraw/zinc/37/90/80/1071379080.db2.gz CHAIJYXZLDFMCG-CABCVRRESA-N 1 1 493.841 3.572 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313863043 1071379737 /nfs/dbraw/zinc/37/97/37/1071379737.db2.gz UYIDEWXWIUZRGT-CVEARBPZSA-N 1 1 454.541 3.987 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@H]1C ZINC001313863232 1071380052 /nfs/dbraw/zinc/38/00/52/1071380052.db2.gz SFSBPIYXDROUKC-SVFBPWRDSA-N 1 1 451.619 3.736 20 0 JHADMO 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 ZINC001313864218 1071386143 /nfs/dbraw/zinc/38/61/43/1071386143.db2.gz BKHLEZUCSIEXMF-DLBZAZTESA-N 1 1 458.598 3.556 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@@H]1C ZINC001313864671 1071387811 /nfs/dbraw/zinc/38/78/11/1071387811.db2.gz VPOZQORNMKZTCD-AOJNWGRGSA-N 1 1 455.647 3.870 20 0 JHADMO Cn1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(Br)c1=O ZINC001310435950 1071389423 /nfs/dbraw/zinc/38/94/23/1071389423.db2.gz PYGOQPWWDAUTMQ-KRWDZBQOSA-N 1 1 459.388 3.572 20 0 JHADMO Cc1cc(Br)ncc1NC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001310438374 1071390838 /nfs/dbraw/zinc/39/08/38/1071390838.db2.gz XTPYGZDEGDWBBT-LJQANCHMSA-N 1 1 458.404 3.577 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313866145 1071395291 /nfs/dbraw/zinc/39/52/91/1071395291.db2.gz DCRCZJGUEBKEBM-ROUUACIJSA-N 1 1 456.664 3.538 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313866985 1071397127 /nfs/dbraw/zinc/39/71/27/1071397127.db2.gz HWVVVIZQTQWAPI-QZTJIDSGSA-N 1 1 485.583 3.767 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313867536 1071399939 /nfs/dbraw/zinc/39/99/39/1071399939.db2.gz JUWYNEKMWJLKDP-JAXLGGSGSA-N 1 1 478.607 3.866 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313867151 1071398134 /nfs/dbraw/zinc/39/81/34/1071398134.db2.gz LZFAWCWQUUHSGT-MOPGFXCFSA-N 1 1 489.686 3.793 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313867155 1071398824 /nfs/dbraw/zinc/39/88/24/1071398824.db2.gz MCMTVCJIXNQABT-CVEARBPZSA-N 1 1 471.524 3.808 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313867572 1071400603 /nfs/dbraw/zinc/40/06/03/1071400603.db2.gz KFKUUJVBNUBWSZ-GOHWNWGWSA-N 1 1 455.647 3.806 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001313868637 1071405550 /nfs/dbraw/zinc/40/55/50/1071405550.db2.gz VNECOGHANQUKRR-SFTDATJTSA-N 1 1 464.614 3.641 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313867747 1071401521 /nfs/dbraw/zinc/40/15/21/1071401521.db2.gz AOTCCQMXNBYDTK-DLBZAZTESA-N 1 1 475.439 3.632 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868549 1071404426 /nfs/dbraw/zinc/40/44/26/1071404426.db2.gz BSPSDWCPMUIJSP-IAGOWNOFSA-N 1 1 482.492 3.742 20 0 JHADMO 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 1071410045 /nfs/dbraw/zinc/41/00/45/1071410045.db2.gz PUQDYLQXQJXCJT-UXHICEINSA-N 1 1 490.693 3.617 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@H]1C ZINC001313869414 1071408264 /nfs/dbraw/zinc/40/82/64/1071408264.db2.gz PNCUZBKRYLMHDE-UXHICEINSA-N 1 1 455.676 3.825 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001313871783 1071418167 /nfs/dbraw/zinc/41/81/67/1071418167.db2.gz HLYUFJTTZNKCJH-ZWKOTPCHSA-N 1 1 455.006 3.893 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313871956 1071420004 /nfs/dbraw/zinc/42/00/04/1071420004.db2.gz VYBGSCGCTDIWOI-ROUUACIJSA-N 1 1 477.053 3.688 20 0 JHADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC001310478820 1071420895 /nfs/dbraw/zinc/42/08/95/1071420895.db2.gz OKWZTLYODFMDQP-NFBKMPQASA-N 1 1 451.546 3.978 20 0 JHADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872248 1071420951 /nfs/dbraw/zinc/42/09/51/1071420951.db2.gz IXZZMCTWFZSNBQ-ZWKOTPCHSA-N 1 1 486.567 3.841 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871551 1071417424 /nfs/dbraw/zinc/41/74/24/1071417424.db2.gz UJZXGAVLKMJGHT-HOTGVXAUSA-N 1 1 487.555 3.657 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc[nH+]c1C ZINC001314954629 1071427977 /nfs/dbraw/zinc/42/79/77/1071427977.db2.gz ZVEDANXYHAJXIH-MSOLQXFVSA-N 1 1 488.036 3.712 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313873242 1071424800 /nfs/dbraw/zinc/42/48/00/1071424800.db2.gz KJQIYGAOJNCWBS-ROUUACIJSA-N 1 1 456.541 3.833 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001314953608 1071425131 /nfs/dbraw/zinc/42/51/31/1071425131.db2.gz WEUSKPHIMXPQMV-ZWKOTPCHSA-N 1 1 491.478 3.790 20 0 JHADMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](c2ccccc2)C1 ZINC001310486217 1071426021 /nfs/dbraw/zinc/42/60/21/1071426021.db2.gz OHSOWEMUNLIUGV-HXUWFJFHSA-N 1 1 450.505 3.970 20 0 JHADMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](c2ccccc2)C1 ZINC001310486217 1071426025 /nfs/dbraw/zinc/42/60/25/1071426025.db2.gz OHSOWEMUNLIUGV-HXUWFJFHSA-N 1 1 450.505 3.970 20 0 JHADMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](c2ccccc2)C1 ZINC001310486217 1071426027 /nfs/dbraw/zinc/42/60/27/1071426027.db2.gz OHSOWEMUNLIUGV-HXUWFJFHSA-N 1 1 450.505 3.970 20 0 JHADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCC[C@H]1C ZINC001314953671 1071426062 /nfs/dbraw/zinc/42/60/62/1071426062.db2.gz XVXZKOIFWJKKKD-HUUCEWRRSA-N 1 1 497.869 3.664 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313874711 1071430501 /nfs/dbraw/zinc/43/05/01/1071430501.db2.gz JTBVYMJXPCYHNP-UXHICEINSA-N 1 1 480.613 3.545 20 0 JHADMO CC(C)[N@H+](Cc1ccc(NC(=O)NCc2ccc(CC(N)=O)cc2)cc1)C[C@H]1CCCCO1 ZINC001310491366 1071430697 /nfs/dbraw/zinc/43/06/97/1071430697.db2.gz UPGCDHIJXDXQQH-XMMPIXPASA-N 1 1 452.599 3.816 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313874960 1071431394 /nfs/dbraw/zinc/43/13/94/1071431394.db2.gz PKDJRPYPSXYURG-MOPGFXCFSA-N 1 1 477.600 3.509 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875135 1071432775 /nfs/dbraw/zinc/43/27/75/1071432775.db2.gz LHIXSNJLRQQBMC-SFTDATJTSA-N 1 1 464.614 3.845 20 0 JHADMO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001314959608 1071432879 /nfs/dbraw/zinc/43/28/79/1071432879.db2.gz YETFUVULYKNHDG-FPOVZHCZSA-N 1 1 454.663 3.506 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313876378 1071437379 /nfs/dbraw/zinc/43/73/79/1071437379.db2.gz OJKJBTIJARQBLE-SJORKVTESA-N 1 1 497.471 3.998 20 0 JHADMO 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 1071438204 /nfs/dbraw/zinc/43/82/04/1071438204.db2.gz PBRVDGLJCIHKKR-SFTDATJTSA-N 1 1 486.661 3.918 20 0 JHADMO 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 1071439266 /nfs/dbraw/zinc/43/92/66/1071439266.db2.gz VAGKVGQFNLYEHQ-QHAWAJNXSA-N 1 1 483.661 3.906 20 0 JHADMO 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 1071443807 /nfs/dbraw/zinc/44/38/07/1071443807.db2.gz WDIZOCUYKWCQIK-JAXLGGSGSA-N 1 1 485.677 3.732 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882419 1071458261 /nfs/dbraw/zinc/45/82/61/1071458261.db2.gz FTIUQKKPKBUYIV-PMACEKPBSA-N 1 1 483.686 3.864 20 0 JHADMO 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 1071458320 /nfs/dbraw/zinc/45/83/20/1071458320.db2.gz GCOSOPDLJKBTSZ-PGNAZXSPSA-N 1 1 490.693 3.519 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC001313883200 1071461439 /nfs/dbraw/zinc/46/14/39/1071461439.db2.gz DPLWLJCFQODHNK-HXUWFJFHSA-N 1 1 461.054 3.598 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001313884692 1071465067 /nfs/dbraw/zinc/46/50/67/1071465067.db2.gz RPANMLKRECRWOF-SFHVURJKSA-N 1 1 485.539 3.505 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313885397 1071466330 /nfs/dbraw/zinc/46/63/30/1071466330.db2.gz OWGFONRKOCIDQQ-DXIQSLLYSA-N 1 1 459.635 3.846 20 0 JHADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885395 1071466550 /nfs/dbraw/zinc/46/65/50/1071466550.db2.gz OWGFONRKOCIDQQ-CNNODRBYSA-N 1 1 459.635 3.846 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001313885179 1071466577 /nfs/dbraw/zinc/46/65/77/1071466577.db2.gz XXHNHGABMSMPSO-IAGOWNOFSA-N 1 1 476.000 3.922 20 0 JHADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001314976250 1071468252 /nfs/dbraw/zinc/46/82/52/1071468252.db2.gz JQALQKHGVFYKOA-UHFFFAOYSA-N 1 1 463.630 3.544 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001313886069 1071469111 /nfs/dbraw/zinc/46/91/11/1071469111.db2.gz LXOGPISIJAVWKR-VQTJNVASSA-N 1 1 484.645 3.741 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001313888032 1071475029 /nfs/dbraw/zinc/47/50/29/1071475029.db2.gz FXKXLRRSESCZGF-GJZGRUSLSA-N 1 1 482.448 3.500 20 0 JHADMO CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001314978000 1071474208 /nfs/dbraw/zinc/47/42/08/1071474208.db2.gz OZFMCTDOCDLVRV-CPJSRVTESA-N 1 1 470.687 3.573 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001313887817 1071474278 /nfs/dbraw/zinc/47/42/78/1071474278.db2.gz LDMMQQNNXQNZDV-LSDHHAIUSA-N 1 1 454.438 3.584 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001313888114 1071475860 /nfs/dbraw/zinc/47/58/60/1071475860.db2.gz MHJCHIFXWKWAMG-YADHBBJMSA-N 1 1 482.673 3.965 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001313888141 1071475937 /nfs/dbraw/zinc/47/59/37/1071475937.db2.gz MUJPXNIWWMHFPF-FQEVSTJZSA-N 1 1 473.065 3.559 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001313889656 1071480799 /nfs/dbraw/zinc/48/07/99/1071480799.db2.gz LIGWWOMTQNLNHT-MOPGFXCFSA-N 1 1 459.660 3.563 20 0 JHADMO CNC(=O)c1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001314979133 1071477921 /nfs/dbraw/zinc/47/79/21/1071477921.db2.gz FDZVQPNSUAIPPK-XMMPIXPASA-N 1 1 482.673 3.679 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313889350 1071479343 /nfs/dbraw/zinc/47/93/43/1071479343.db2.gz HTWDXPFMISGSSA-DHIUTWEWSA-N 1 1 496.700 3.884 20 0 JHADMO 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 ZINC001313889332 1071479774 /nfs/dbraw/zinc/47/97/74/1071479774.db2.gz XPQOUKZOTFAEAU-BJJLKGPWSA-N 1 1 483.661 3.517 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cnccn2)C1 ZINC001313890208 1071482194 /nfs/dbraw/zinc/48/21/94/1071482194.db2.gz MTWXMWNGHBYBQU-KRWDZBQOSA-N 1 1 470.419 3.784 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001313892390 1071487718 /nfs/dbraw/zinc/48/77/18/1071487718.db2.gz FEXGWFXLFLOQMR-XLIONFOSSA-N 1 1 458.010 3.926 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)CC(C)C ZINC001313892635 1071488605 /nfs/dbraw/zinc/48/86/05/1071488605.db2.gz GZCSYQLQFSRHDT-KRWDZBQOSA-N 1 1 453.429 3.629 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313893279 1071489252 /nfs/dbraw/zinc/48/92/52/1071489252.db2.gz BXYSSFZMZPUIKL-IBGZPJMESA-N 1 1 474.675 3.766 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313893280 1071489319 /nfs/dbraw/zinc/48/93/19/1071489319.db2.gz BXYSSFZMZPUIKL-LJQANCHMSA-N 1 1 474.675 3.766 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001313893584 1071490755 /nfs/dbraw/zinc/49/07/55/1071490755.db2.gz ONJNMQPUHKOQKS-QGZVFWFLSA-N 1 1 464.952 3.576 20 0 JHADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001313893740 1071490994 /nfs/dbraw/zinc/49/09/94/1071490994.db2.gz FQAHWFZTFULCOD-OAQYLSRUSA-N 1 1 497.688 3.832 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001313894717 1071494106 /nfs/dbraw/zinc/49/41/06/1071494106.db2.gz XDCMCESQNSMJIO-VAMGGRTRSA-N 1 1 462.664 3.635 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001313894716 1071494157 /nfs/dbraw/zinc/49/41/57/1071494157.db2.gz XDCMCESQNSMJIO-SLFFLAALSA-N 1 1 462.664 3.635 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313894843 1071495048 /nfs/dbraw/zinc/49/50/48/1071495048.db2.gz DQUDTUJIRNWQGL-HKUYNNGSSA-N 1 1 458.676 3.578 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 ZINC001313895004 1071495658 /nfs/dbraw/zinc/49/56/58/1071495658.db2.gz KSJCWALEXDBDIU-GIVPXCGWSA-N 1 1 460.667 3.702 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001313895848 1071497837 /nfs/dbraw/zinc/49/78/37/1071497837.db2.gz KWCJSYWYBRVCRW-GTJUCTONSA-N 1 1 473.046 3.852 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001313896283 1071499342 /nfs/dbraw/zinc/49/93/42/1071499342.db2.gz XVKUMEYYOJRUTM-HNNXBMFYSA-N 1 1 468.465 3.710 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313896168 1071499476 /nfs/dbraw/zinc/49/94/76/1071499476.db2.gz MXDJOWNHZQDWPM-QZTJIDSGSA-N 1 1 496.578 3.519 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001313896592 1071500500 /nfs/dbraw/zinc/50/05/00/1071500500.db2.gz GPPIXQGYLOZTCE-YTFSRNRJSA-N 1 1 468.646 3.505 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001313897052 1071500891 /nfs/dbraw/zinc/50/08/91/1071500891.db2.gz UFMJVKLTPXPVPZ-CTNGQTDRSA-N 1 1 460.667 3.798 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](COC)C1 ZINC001313897531 1071502826 /nfs/dbraw/zinc/50/28/26/1071502826.db2.gz XZLBKXYYBXCZNH-CTNGQTDRSA-N 1 1 457.619 3.698 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001313897676 1071503362 /nfs/dbraw/zinc/50/33/62/1071503362.db2.gz WJWKEAGGXNZKRP-YADHBBJMSA-N 1 1 496.700 3.596 20 0 JHADMO CC[N@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313897873 1071504474 /nfs/dbraw/zinc/50/44/74/1071504474.db2.gz XZTOTSBPCUOYBY-GIVPXCGWSA-N 1 1 460.667 3.702 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001313898318 1071504806 /nfs/dbraw/zinc/50/48/06/1071504806.db2.gz QLFAPLRZXCGUFZ-GJYPPUQNSA-N 1 1 454.040 3.695 20 0 JHADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCOC)CC2CC2)C1 ZINC001313898585 1071506036 /nfs/dbraw/zinc/50/60/36/1071506036.db2.gz RMKOPJCXAMLGQH-RTWAWAEBSA-N 1 1 476.666 3.555 20 0 JHADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314990732 1071506034 /nfs/dbraw/zinc/50/60/34/1071506034.db2.gz UQQGIAJIVPAKOG-AZUAARDMSA-N 1 1 490.599 3.629 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001313898978 1071506608 /nfs/dbraw/zinc/50/66/08/1071506608.db2.gz FMHYNUWSXJYHTB-NJDAHSKKSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313899195 1071507233 /nfs/dbraw/zinc/50/72/33/1071507233.db2.gz GTTGRGXQMZAGLZ-RPWUZVMVSA-N 1 1 466.674 3.536 20 0 JHADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314992194 1071508255 /nfs/dbraw/zinc/50/82/55/1071508255.db2.gz ANFQFYCFFZFKPF-SLFFLAALSA-N 1 1 489.064 3.593 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313901995 1071512337 /nfs/dbraw/zinc/51/23/37/1071512337.db2.gz VOJOZLSHPUNNCK-TZIWHRDSSA-N 1 1 494.606 3.629 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001313903777 1071515756 /nfs/dbraw/zinc/51/57/56/1071515756.db2.gz RVJGTDVYVFNRLE-IBGZPJMESA-N 1 1 459.038 3.778 20 0 JHADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313904885 1071519911 /nfs/dbraw/zinc/51/99/11/1071519911.db2.gz VQBMNNZCDOAANH-FQEVSTJZSA-N 1 1 471.650 3.604 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001313906631 1071525011 /nfs/dbraw/zinc/52/50/11/1071525011.db2.gz YCINFXZUGCYTAG-JAXLGGSGSA-N 1 1 488.702 3.552 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001313905704 1071522076 /nfs/dbraw/zinc/52/20/76/1071522076.db2.gz QONPNUUMPIRBMH-LJQANCHMSA-N 1 1 474.009 3.681 20 0 JHADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313905945 1071522695 /nfs/dbraw/zinc/52/26/95/1071522695.db2.gz WHTUFNYZUHWMEO-NLFFAJNJSA-N 1 1 457.619 3.745 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906842 1071525832 /nfs/dbraw/zinc/52/58/32/1071525832.db2.gz SAEARAMCXSBWHB-LJQANCHMSA-N 1 1 466.552 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001313907315 1071527253 /nfs/dbraw/zinc/52/72/53/1071527253.db2.gz BRRLYADSDLVUGV-IRXDYDNUSA-N 1 1 498.981 3.978 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(C)on1 ZINC001313907539 1071528054 /nfs/dbraw/zinc/52/80/54/1071528054.db2.gz HPKSMQJXIRNICX-IBGZPJMESA-N 1 1 454.575 3.770 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001313907573 1071528109 /nfs/dbraw/zinc/52/81/09/1071528109.db2.gz IHTGNJGKXGLKEC-RDJZCZTQSA-N 1 1 466.399 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(C)on1 ZINC001313907540 1071528218 /nfs/dbraw/zinc/52/82/18/1071528218.db2.gz HPKSMQJXIRNICX-LJQANCHMSA-N 1 1 454.575 3.770 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001313908823 1071531123 /nfs/dbraw/zinc/53/11/23/1071531123.db2.gz OZVZZJLYFIIYKU-QGZVFWFLSA-N 1 1 470.971 3.999 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001313908379 1071530095 /nfs/dbraw/zinc/53/00/95/1071530095.db2.gz NEJZCKWEOSUXMK-QUCCMNQESA-N 1 1 486.642 3.566 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001313909237 1071532345 /nfs/dbraw/zinc/53/23/45/1071532345.db2.gz PZYWCJUBXQVLOY-PKTZIBPZSA-N 1 1 482.673 3.946 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001313910817 1071536448 /nfs/dbraw/zinc/53/64/48/1071536448.db2.gz HNBYUAFBMOTZEG-HBMCJLEFSA-N 1 1 476.666 3.697 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001313910099 1071534543 /nfs/dbraw/zinc/53/45/43/1071534543.db2.gz UYGRLCPRLIDNLR-WMQCIHAUSA-N 1 1 492.462 3.822 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001315016921 1071537178 /nfs/dbraw/zinc/53/71/78/1071537178.db2.gz MTIJANPHCQKZDY-QGZVFWFLSA-N 1 1 489.462 3.544 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C ZINC001313911045 1071537165 /nfs/dbraw/zinc/53/71/65/1071537165.db2.gz YTQHBBWDGNWDCJ-GOSISDBHSA-N 1 1 477.053 3.832 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001315021152 1071542155 /nfs/dbraw/zinc/54/21/55/1071542155.db2.gz JJMUUTAMLAMKHW-UHFFFAOYSA-N 1 1 475.641 3.581 20 0 JHADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001313914003 1071545557 /nfs/dbraw/zinc/54/55/57/1071545557.db2.gz ORNVFUFMEWMTGJ-DENIHFKCSA-N 1 1 486.636 3.736 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001313914116 1071546004 /nfs/dbraw/zinc/54/60/04/1071546004.db2.gz RLLRUTDIPYFERA-FGZHOGPDSA-N 1 1 468.646 3.738 20 0 JHADMO CCN1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[N@@H+](CC)C(C)C)CC1=O ZINC001313913292 1071542825 /nfs/dbraw/zinc/54/28/25/1071542825.db2.gz KYCNDTGYXJXQHT-UHFFFAOYSA-N 1 1 452.647 3.537 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C ZINC001313914661 1071547991 /nfs/dbraw/zinc/54/79/91/1071547991.db2.gz SOPJWAYSXHZGMF-OAQYLSRUSA-N 1 1 454.667 3.809 20 0 JHADMO CNC(=O)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001315025240 1071549313 /nfs/dbraw/zinc/54/93/13/1071549313.db2.gz ZECXNZSLTCITPI-HXUWFJFHSA-N 1 1 454.663 3.740 20 0 JHADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001313915124 1071549990 /nfs/dbraw/zinc/54/99/90/1071549990.db2.gz PWCXTGJOZNYYOJ-UNMCSNQZSA-N 1 1 484.689 3.847 20 0 JHADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001313916495 1071553177 /nfs/dbraw/zinc/55/31/77/1071553177.db2.gz YFNORJJHPBNZKD-IEBWSBKVSA-N 1 1 477.078 3.765 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919380 1071557140 /nfs/dbraw/zinc/55/71/40/1071557140.db2.gz AKFCNJMGTPOGQG-OALUTQOASA-N 1 1 492.510 3.699 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001315029080 1071557319 /nfs/dbraw/zinc/55/73/19/1071557319.db2.gz QESMVMXWXHQZPK-FQEVSTJZSA-N 1 1 489.462 3.687 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313919709 1071557581 /nfs/dbraw/zinc/55/75/81/1071557581.db2.gz FMFGAIUGJWCAQY-MOPGFXCFSA-N 1 1 492.510 3.934 20 0 JHADMO CNC(=O)CCCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315030971 1071559832 /nfs/dbraw/zinc/55/98/32/1071559832.db2.gz YIHOEMIMEOYTCA-GOSISDBHSA-N 1 1 476.616 3.620 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922580 1071565005 /nfs/dbraw/zinc/56/50/05/1071565005.db2.gz WZOXKWFHZYHITI-MRXNPFEDSA-N 1 1 479.442 3.861 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922324 1071563772 /nfs/dbraw/zinc/56/37/72/1071563772.db2.gz VNJSSGRSKWPUMA-LJQANCHMSA-N 1 1 482.629 3.526 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(C)CCCS3)CC2)CC1 ZINC001313923184 1071566267 /nfs/dbraw/zinc/56/62/67/1071566267.db2.gz IQGAQESSPRCBTE-SANMLTNESA-N 1 1 490.762 3.923 20 0 JHADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC001313923778 1071567943 /nfs/dbraw/zinc/56/79/43/1071567943.db2.gz SRQDMUHASGRHOK-UHFFFAOYSA-N 1 1 487.092 3.949 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924781 1071571610 /nfs/dbraw/zinc/57/16/10/1071571610.db2.gz IKGRTFXOBWBCFM-LJQANCHMSA-N 1 1 498.473 3.765 20 0 JHADMO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001313925089 1071572617 /nfs/dbraw/zinc/57/26/17/1071572617.db2.gz UWLXUFUDFXNEMI-UHFFFAOYSA-N 1 1 482.673 3.879 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926557 1071576973 /nfs/dbraw/zinc/57/69/73/1071576973.db2.gz DICBRDGYKYOVAY-DYXWJJEUSA-N 1 1 476.616 3.674 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927435 1071580466 /nfs/dbraw/zinc/58/04/66/1071580466.db2.gz LALMCADFKZFIAK-FTBPSBKWSA-N 1 1 498.716 3.868 20 0 JHADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928056 1071582518 /nfs/dbraw/zinc/58/25/18/1071582518.db2.gz NFIIVDRNXAYESI-IRLDBZIGSA-N 1 1 456.654 3.906 20 0 JHADMO CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001315057063 1071582486 /nfs/dbraw/zinc/58/24/86/1071582486.db2.gz NTPVZICFFLNIFN-UHFFFAOYSA-N 1 1 474.053 3.715 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001313928327 1071583228 /nfs/dbraw/zinc/58/32/28/1071583228.db2.gz AMHIWONTPGZXCD-PMACEKPBSA-N 1 1 491.080 3.991 20 0 JHADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313928960 1071585119 /nfs/dbraw/zinc/58/51/19/1071585119.db2.gz QQGORYBVSQVNPB-QHCPKHFHSA-N 1 1 482.717 3.873 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001313928924 1071585394 /nfs/dbraw/zinc/58/53/94/1071585394.db2.gz DSWJVMAPCWYBNH-WMZOPIPTSA-N 1 1 480.991 3.827 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)C[C@H]1C ZINC001313929790 1071587259 /nfs/dbraw/zinc/58/72/59/1071587259.db2.gz JNZVFVDLWMGEIO-TZIWHRDSSA-N 1 1 468.646 3.624 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071592037 /nfs/dbraw/zinc/59/20/37/1071592037.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931298 1071592097 /nfs/dbraw/zinc/59/20/97/1071592097.db2.gz QVXZTSGVGGJTBI-ZWKOTPCHSA-N 1 1 458.010 3.807 20 0 JHADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930248 1071588806 /nfs/dbraw/zinc/58/88/06/1071588806.db2.gz AOVGJRGCJZBCAU-WIYYLYMNSA-N 1 1 492.510 3.697 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313930301 1071589503 /nfs/dbraw/zinc/58/95/03/1071589503.db2.gz BLCPTHKRVLVPPZ-QAPCUYQASA-N 1 1 469.627 3.926 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC001313931501 1071592603 /nfs/dbraw/zinc/59/26/03/1071592603.db2.gz FATPEZOROUPNHH-QFQXNSOFSA-N 1 1 471.646 3.685 20 0 JHADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001313931288 1071591862 /nfs/dbraw/zinc/59/18/62/1071591862.db2.gz QPLLOCZBPDODLG-OAHLLOKOSA-N 1 1 488.061 3.514 20 0 JHADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071592029 /nfs/dbraw/zinc/59/20/29/1071592029.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 1 1 481.689 3.942 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313931821 1071593339 /nfs/dbraw/zinc/59/33/39/1071593339.db2.gz IWOJOHPRZBULQA-ROUUACIJSA-N 1 1 462.436 3.973 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC001313931887 1071593466 /nfs/dbraw/zinc/59/34/66/1071593466.db2.gz SRFKFUCSHCMOJW-ROUUACIJSA-N 1 1 464.680 3.529 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313931908 1071594163 /nfs/dbraw/zinc/59/41/63/1071594163.db2.gz SWFZXSOZXGLORX-OALUTQOASA-N 1 1 477.650 4.000 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001313932704 1071596087 /nfs/dbraw/zinc/59/60/87/1071596087.db2.gz ITHBCICKSUXDQA-HNNXBMFYSA-N 1 1 456.616 3.614 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)C[C@H]1C ZINC001313932762 1071596384 /nfs/dbraw/zinc/59/63/84/1071596384.db2.gz IXGWXHMHFCEGCH-ATIYNZHBSA-N 1 1 455.647 3.709 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)C[C@H]1C ZINC001313933592 1071598564 /nfs/dbraw/zinc/59/85/64/1071598564.db2.gz PAVNCHOZRONOQE-ZWKOTPCHSA-N 1 1 463.717 3.777 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSC(F)(F)F)C[C@H]1C ZINC001313933666 1071599360 /nfs/dbraw/zinc/59/93/60/1071599360.db2.gz MIYDNCBYEZDRTC-LLVKDONJSA-N 1 1 467.359 3.819 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313934749 1071603642 /nfs/dbraw/zinc/60/36/42/1071603642.db2.gz VLJAVSDSRWPIBO-NRFANRHFSA-N 1 1 468.690 3.884 20 0 JHADMO 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 1071601024 /nfs/dbraw/zinc/60/10/24/1071601024.db2.gz QIQGCXRNLYHGEB-RBUKOAKNSA-N 1 1 472.634 3.740 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001313934101 1071601113 /nfs/dbraw/zinc/60/11/13/1071601113.db2.gz SEUMSVQMJNRNRG-ROUUACIJSA-N 1 1 458.676 3.577 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934261 1071601910 /nfs/dbraw/zinc/60/19/10/1071601910.db2.gz SUGBYZUHCQQPAH-YWZLYKJASA-N 1 1 499.548 3.737 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001313934648 1071602944 /nfs/dbraw/zinc/60/29/44/1071602944.db2.gz UOTYGTZHOXSOHC-OAHLLOKOSA-N 1 1 453.418 3.555 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)C[C@H]1C ZINC001313935000 1071604371 /nfs/dbraw/zinc/60/43/71/1071604371.db2.gz UQRYGQNRJXPYHG-KLHKWILBSA-N 1 1 465.440 3.771 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC001313935225 1071605347 /nfs/dbraw/zinc/60/53/47/1071605347.db2.gz GAXOAZFFIPYWHY-SJLPKXTDSA-N 1 1 478.435 3.816 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001313935377 1071605413 /nfs/dbraw/zinc/60/54/13/1071605413.db2.gz YROLVLXZKIQEPF-KRWDZBQOSA-N 1 1 489.462 3.592 20 0 JHADMO CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC001313936849 1071609725 /nfs/dbraw/zinc/60/97/25/1071609725.db2.gz QMFLJHGNEUPGKH-FQEVSTJZSA-N 1 1 470.662 3.757 20 0 JHADMO 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 1071608584 /nfs/dbraw/zinc/60/85/84/1071608584.db2.gz OFIWTGDCGISHCC-YSTOQKLRSA-N 1 1 457.619 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001313938101 1071611456 /nfs/dbraw/zinc/61/14/56/1071611456.db2.gz HUQRUVKKQVZHQR-QGZVFWFLSA-N 1 1 472.540 3.723 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001313939575 1071613382 /nfs/dbraw/zinc/61/33/82/1071613382.db2.gz DEPGVWGIAVAUSI-QGZVFWFLSA-N 1 1 464.456 3.591 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313941655 1071618179 /nfs/dbraw/zinc/61/81/79/1071618179.db2.gz FCAKZDRIYWQROI-IBGZPJMESA-N 1 1 477.579 3.696 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313942265 1071619142 /nfs/dbraw/zinc/61/91/42/1071619142.db2.gz HIWLBRLGGXAYCM-QUCCMNQESA-N 1 1 469.552 3.972 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC(C)C)c2ccccc2OC)C[C@@H]1C ZINC001313942075 1071619689 /nfs/dbraw/zinc/61/96/89/1071619689.db2.gz YXXJWCYICIUQNZ-OFVILXPXSA-N 1 1 478.641 3.969 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313942541 1071620850 /nfs/dbraw/zinc/62/08/50/1071620850.db2.gz JRBDLGHBZSMKTB-HXUWFJFHSA-N 1 1 486.661 3.999 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)C[C@H]1C ZINC001313943109 1071621951 /nfs/dbraw/zinc/62/19/51/1071621951.db2.gz PSYXFWQIPHPHSS-HXUWFJFHSA-N 1 1 455.647 3.990 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942902 1071621378 /nfs/dbraw/zinc/62/13/78/1071621378.db2.gz NNGPEQQLBCQXDF-HSZRJFAPSA-N 1 1 454.663 3.785 20 0 JHADMO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622678 /nfs/dbraw/zinc/62/26/78/1071622678.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622680 /nfs/dbraw/zinc/62/26/80/1071622680.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 1 1 484.689 3.504 20 0 JHADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@@H]1C ZINC001313944046 1071623894 /nfs/dbraw/zinc/62/38/94/1071623894.db2.gz ADJVXEDQNRUXBI-KRWDZBQOSA-N 1 1 474.531 3.870 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944279 1071624429 /nfs/dbraw/zinc/62/44/29/1071624429.db2.gz ZHIAUWLCDZHEJG-JTHBVZDNSA-N 1 1 454.663 3.505 20 0 JHADMO CC[N@H+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313943980 1071624610 /nfs/dbraw/zinc/62/46/10/1071624610.db2.gz UGVMIMRXRMHBIX-KRWDZBQOSA-N 1 1 463.508 3.588 20 0 JHADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313948165 1071633443 /nfs/dbraw/zinc/63/34/43/1071633443.db2.gz JOXPFDGNLBOMAI-SFHVURJKSA-N 1 1 486.592 3.878 20 0 JHADMO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)C[C@H]1C ZINC001313946841 1071630563 /nfs/dbraw/zinc/63/05/63/1071630563.db2.gz CZOCOXPVSKZSMP-LJQANCHMSA-N 1 1 459.660 3.926 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632943 /nfs/dbraw/zinc/63/29/43/1071632943.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 1 1 454.663 3.530 20 0 JHADMO CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632950 /nfs/dbraw/zinc/63/29/50/1071632950.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 1 1 454.663 3.530 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947850 1071633033 /nfs/dbraw/zinc/63/30/33/1071633033.db2.gz AALHSQLQNIVVLS-JOCHJYFZSA-N 1 1 467.706 3.619 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001313948089 1071633271 /nfs/dbraw/zinc/63/32/71/1071633271.db2.gz BPKIHFWNYIPYMP-LJQANCHMSA-N 1 1 496.626 3.732 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CSC)c3)C2)CC1 ZINC001313948172 1071633416 /nfs/dbraw/zinc/63/34/16/1071633416.db2.gz PIGFGPJZERZSKC-HSZRJFAPSA-N 1 1 470.731 3.994 20 0 JHADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949576 1071636849 /nfs/dbraw/zinc/63/68/49/1071636849.db2.gz ZNKSOXDVEAWEIH-SFHVURJKSA-N 1 1 470.609 3.821 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)CC1 ZINC001313950172 1071637610 /nfs/dbraw/zinc/63/76/10/1071637610.db2.gz NSQRGHDYMZQOAI-SFHVURJKSA-N 1 1 462.042 3.578 20 0 JHADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950556 1071638835 /nfs/dbraw/zinc/63/88/35/1071638835.db2.gz VNVPZFHWMWOIBN-RTWAWAEBSA-N 1 1 491.775 3.628 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC001313950710 1071639276 /nfs/dbraw/zinc/63/92/76/1071639276.db2.gz QDVGLQWVDMKKMG-UEXGIBASSA-N 1 1 457.494 3.695 20 0 JHADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)C[C@H]1C ZINC001313951113 1071640589 /nfs/dbraw/zinc/64/05/89/1071640589.db2.gz ZHLBQBNASWIVMI-SBQVMTCPSA-N 1 1 498.672 3.788 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952191 1071645291 /nfs/dbraw/zinc/64/52/91/1071645291.db2.gz OPHXNNRUXKJVEI-SFTDATJTSA-N 1 1 486.709 3.740 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313951640 1071643114 /nfs/dbraw/zinc/64/31/14/1071643114.db2.gz AMMNAKHUBLGKGI-YADHBBJMSA-N 1 1 486.730 3.949 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313951831 1071643852 /nfs/dbraw/zinc/64/38/52/1071643852.db2.gz KYSBKLUXWDQKKR-ROUUACIJSA-N 1 1 478.483 3.546 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCC2)CC1 ZINC001313952116 1071644364 /nfs/dbraw/zinc/64/43/64/1071644364.db2.gz XXPYDZYHZDTCPX-IBGZPJMESA-N 1 1 492.510 3.700 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313952902 1071647204 /nfs/dbraw/zinc/64/72/04/1071647204.db2.gz UVVNRCJCNSHZDK-NHCUHLMSSA-N 1 1 491.080 3.714 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001313953162 1071647735 /nfs/dbraw/zinc/64/77/35/1071647735.db2.gz BVRFSGPJMLMYFJ-HSZRJFAPSA-N 1 1 475.081 3.555 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313953295 1071648478 /nfs/dbraw/zinc/64/84/78/1071648478.db2.gz JPOVYKHTZURUPE-FQEVSTJZSA-N 1 1 468.049 3.904 20 0 JHADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313953692 1071649500 /nfs/dbraw/zinc/64/95/00/1071649500.db2.gz HXWRWFULGIRHLL-NRFANRHFSA-N 1 1 495.510 3.816 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001313953723 1071649508 /nfs/dbraw/zinc/64/95/08/1071649508.db2.gz IOJITHWMUNJDJD-ZCWHBTPQSA-N 1 1 488.746 3.928 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001313954339 1071651258 /nfs/dbraw/zinc/65/12/58/1071651258.db2.gz OFECGRIDGJUHLG-BBTUJRGHSA-N 1 1 498.569 3.514 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001313954341 1071651286 /nfs/dbraw/zinc/65/12/86/1071651286.db2.gz OFECGRIDGJUHLG-WAOWUJCRSA-N 1 1 498.569 3.514 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313954321 1071651319 /nfs/dbraw/zinc/65/13/19/1071651319.db2.gz NYCYOZBELUTCGR-NRFANRHFSA-N 1 1 479.648 3.740 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313954718 1071652460 /nfs/dbraw/zinc/65/24/60/1071652460.db2.gz PECOEJLSHWZRMC-NHCUHLMSSA-N 1 1 475.081 3.877 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955004 1071653636 /nfs/dbraw/zinc/65/36/36/1071653636.db2.gz DEMAGBCUGPLEJF-ILBGXUMGSA-N 1 1 498.716 3.690 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001313954888 1071653761 /nfs/dbraw/zinc/65/37/61/1071653761.db2.gz WJTAAMBFJUOFQU-FYYLOGMGSA-N 1 1 474.719 3.922 20 0 JHADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001313955015 1071654195 /nfs/dbraw/zinc/65/41/95/1071654195.db2.gz RQBRSBVLJOOUFJ-QFIPXVFZSA-N 1 1 468.690 3.885 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313955245 1071654732 /nfs/dbraw/zinc/65/47/32/1071654732.db2.gz QQRNOBUVBKBMDZ-IBGZPJMESA-N 1 1 488.055 3.986 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955763 1071656653 /nfs/dbraw/zinc/65/66/53/1071656653.db2.gz IHXMABXGWSBMIW-GOSISDBHSA-N 1 1 473.716 3.605 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313958028 1071662427 /nfs/dbraw/zinc/66/24/27/1071662427.db2.gz NLTMMLSOMSCBNZ-UHFFFAOYSA-N 1 1 468.646 3.536 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956766 1071658101 /nfs/dbraw/zinc/65/81/01/1071658101.db2.gz KUMVMHCDUUCMNW-NHCUHLMSSA-N 1 1 458.626 3.536 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001313958017 1071662530 /nfs/dbraw/zinc/66/25/30/1071662530.db2.gz NDOAQGGNEXZADB-NRFANRHFSA-N 1 1 484.689 3.862 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957113 1071659555 /nfs/dbraw/zinc/65/95/55/1071659555.db2.gz PUJCAOIDSJIPHD-NRFANRHFSA-N 1 1 494.606 3.855 20 0 JHADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957675 1071661303 /nfs/dbraw/zinc/66/13/03/1071661303.db2.gz RPJOTCTTZPIZDL-QZNHQXDQSA-N 1 1 492.634 3.972 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313957667 1071661356 /nfs/dbraw/zinc/66/13/56/1071661356.db2.gz RITCIBWEDGKVPJ-LJQANCHMSA-N 1 1 478.607 3.763 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957921 1071661781 /nfs/dbraw/zinc/66/17/81/1071661781.db2.gz SBVSDERGOUVAIU-TZRRMPRUSA-N 1 1 482.717 3.828 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313958960 1071665012 /nfs/dbraw/zinc/66/50/12/1071665012.db2.gz YQWVWWHGFVXHKH-JOCHJYFZSA-N 1 1 475.081 3.877 20 0 JHADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958931 1071665259 /nfs/dbraw/zinc/66/52/59/1071665259.db2.gz YVKWRMLIGBOFMX-ZLNRFVROSA-N 1 1 486.730 3.769 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313958961 1071665799 /nfs/dbraw/zinc/66/57/99/1071665799.db2.gz YQWVWWHGFVXHKH-QFIPXVFZSA-N 1 1 475.081 3.877 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313959984 1071668807 /nfs/dbraw/zinc/66/88/07/1071668807.db2.gz DJBKNUYYWYTBIV-JOCHJYFZSA-N 1 1 454.663 3.820 20 0 JHADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313959752 1071667445 /nfs/dbraw/zinc/66/74/45/1071667445.db2.gz CFTGGSRAVUJRAJ-GOSISDBHSA-N 1 1 480.629 3.516 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313960195 1071669278 /nfs/dbraw/zinc/66/92/78/1071669278.db2.gz FQEICYLWYFODFK-VXKWHMMOSA-N 1 1 456.704 3.535 20 0 JHADMO CCN1CC[NH+](CCCn2c(CC3CCCC3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313960742 1071670554 /nfs/dbraw/zinc/67/05/54/1071670554.db2.gz MDPAYDYKQRUOCT-UHFFFAOYSA-N 1 1 479.511 3.917 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313961014 1071671697 /nfs/dbraw/zinc/67/16/97/1071671697.db2.gz OQMULJHKKDNAOI-GOTSBHOMSA-N 1 1 486.730 3.832 20 0 JHADMO CCN1CC[NH+](CCCn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313961076 1071671746 /nfs/dbraw/zinc/67/17/46/1071671746.db2.gz QASWWXHUXPWXRX-YADHBBJMSA-N 1 1 470.662 3.518 20 0 JHADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001313961589 1071673530 /nfs/dbraw/zinc/67/35/30/1071673530.db2.gz VTVWFBRXQZQWJV-QGZVFWFLSA-N 1 1 472.531 3.583 20 0 JHADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961606 1071673567 /nfs/dbraw/zinc/67/35/67/1071673567.db2.gz VFULVQAKTAWXER-UHFFFAOYSA-N 1 1 454.663 3.532 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001313968631 1071692566 /nfs/dbraw/zinc/69/25/66/1071692566.db2.gz ZQDKDICGQMEUPU-UHFFFAOYSA-N 1 1 466.655 3.800 20 0 JHADMO CCNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001313972376 1071698166 /nfs/dbraw/zinc/69/81/66/1071698166.db2.gz CHQVJBLYCPLKOW-JOCHJYFZSA-N 1 1 480.701 3.926 20 0 JHADMO CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001313981648 1071718096 /nfs/dbraw/zinc/71/80/96/1071718096.db2.gz HCICAAOTBYQSAX-OALUTQOASA-N 1 1 466.655 3.647 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001314013610 1071750979 /nfs/dbraw/zinc/75/09/79/1071750979.db2.gz JCHJMUUYYSKIGQ-NRFANRHFSA-N 1 1 491.640 3.918 20 0 JHADMO CCOC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314017915 1071764244 /nfs/dbraw/zinc/76/42/44/1071764244.db2.gz IXVXEYQRVVCZQI-FQEVSTJZSA-N 1 1 460.667 3.800 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(-c3cccc4cccnc43)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001314019915 1071769418 /nfs/dbraw/zinc/76/94/18/1071769418.db2.gz OGUYDCPAKGFVAQ-UHFFFAOYSA-N 1 1 465.602 3.502 20 0 JHADMO CCOC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001314022519 1071776436 /nfs/dbraw/zinc/77/64/36/1071776436.db2.gz BMUPAKYSZYIPHB-JOCHJYFZSA-N 1 1 498.672 3.909 20 0 JHADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001314025819 1071787045 /nfs/dbraw/zinc/78/70/45/1071787045.db2.gz DTZFGDOJVBEVEK-NRFANRHFSA-N 1 1 483.661 3.956 20 0 JHADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001314028909 1071796850 /nfs/dbraw/zinc/79/68/50/1071796850.db2.gz SVNMKYKTIYBIBW-SXLOBPIMSA-N 1 1 458.607 3.680 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001314032558 1071809935 /nfs/dbraw/zinc/80/99/35/1071809935.db2.gz BKYBFQWLIZYTFU-PKOBYXMFSA-N 1 1 460.648 3.626 20 0 JHADMO CCOC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314043240 1071851893 /nfs/dbraw/zinc/85/18/93/1071851893.db2.gz CJUUZPNYVZDADF-GGAORHGYSA-N 1 1 483.661 3.633 20 0 JHADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001314045101 1071858627 /nfs/dbraw/zinc/85/86/27/1071858627.db2.gz YMYJYNHPLLFFPD-FCHUYYIVSA-N 1 1 484.645 3.673 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001314047391 1071865636 /nfs/dbraw/zinc/86/56/36/1071865636.db2.gz QNZHNGDGCJTNBM-UHFFFAOYSA-N 1 1 464.614 3.794 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314049230 1071870069 /nfs/dbraw/zinc/87/00/69/1071870069.db2.gz ZFMDBWGTMONQOW-OFVILXPXSA-N 1 1 496.700 3.702 20 0 JHADMO CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001314049229 1071870251 /nfs/dbraw/zinc/87/02/51/1071870251.db2.gz ZFMDBWGTMONQOW-BWKNWUBXSA-N 1 1 496.700 3.702 20 0 JHADMO CCOC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001314050422 1071871800 /nfs/dbraw/zinc/87/18/00/1071871800.db2.gz JKFYHQWIMSXICQ-IBGZPJMESA-N 1 1 459.610 3.513 20 0 JHADMO CCO[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001314068487 1071917351 /nfs/dbraw/zinc/91/73/51/1071917351.db2.gz BSKAYKOHJDHQSF-HSZRJFAPSA-N 1 1 464.614 3.665 20 0 JHADMO CCO[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001314068487 1071917359 /nfs/dbraw/zinc/91/73/59/1071917359.db2.gz BSKAYKOHJDHQSF-HSZRJFAPSA-N 1 1 464.614 3.665 20 0 JHADMO CCO[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001314082651 1071947251 /nfs/dbraw/zinc/94/72/51/1071947251.db2.gz NGTKEEXOVRPOFP-RCZVLFRGSA-N 1 1 492.064 3.577 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)[C@@H](C)C3CCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314091143 1071968148 /nfs/dbraw/zinc/96/81/48/1071968148.db2.gz DQKNYAMQPBZYMN-KKPNIWNPSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@]1(c2nnc(N(CC)[C@@H](C)C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001314091143 1071968156 /nfs/dbraw/zinc/96/81/56/1071968156.db2.gz DQKNYAMQPBZYMN-KKPNIWNPSA-N 1 1 477.694 3.833 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093935 1071971829 /nfs/dbraw/zinc/97/18/29/1071971829.db2.gz INYQRRXYGXTTSI-SEPYTNNBSA-N 1 1 466.001 3.690 20 0 JHADMO CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101494 1071985870 /nfs/dbraw/zinc/98/58/70/1071985870.db2.gz DFQQRLBWTYGXAE-XHNVNVPESA-N 1 1 493.599 3.693 20 0 JHADMO CCO[C@]1(c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314108748 1072001784 /nfs/dbraw/zinc/00/17/84/1072001784.db2.gz VJFBZQBUMAANRD-PICATGQPSA-N 1 1 477.694 3.550 20 0 JHADMO CCO[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314109850 1072003184 /nfs/dbraw/zinc/00/31/84/1072003184.db2.gz DGYSRDAGFKIRHB-AREMUKBSSA-N 1 1 477.694 3.836 20 0 JHADMO CCO[C@@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCCC[N@H+]2CC)CCOC1 ZINC001314113725 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CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711531 720096721 /nfs/dbraw/zinc/09/67/21/720096721.db2.gz QKICGTHWJJHDIA-ZUTVHTERSA-N 1 1 450.583 3.560 20 0 JHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164712154 720102146 /nfs/dbraw/zinc/10/21/46/720102146.db2.gz WBJBEXDTDVDQTK-GOSISDBHSA-N 1 1 480.991 3.643 20 0 JHADMO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713562 720128012 /nfs/dbraw/zinc/12/80/12/720128012.db2.gz RZDPOOJEHWVDNH-LBQODKDLSA-N 1 1 450.583 3.560 20 0 JHADMO CCOC(=O)c1cc2ncnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2s1 ZINC001164714741 720130638 /nfs/dbraw/zinc/13/06/38/720130638.db2.gz YLFFXNWIRAROSM-LJQANCHMSA-N 1 1 481.622 3.771 20 0 JHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164820192 720159697 /nfs/dbraw/zinc/15/96/97/720159697.db2.gz ZSVPIHBRRVESOW-AVRDEDQJSA-N 1 1 463.960 3.922 20 0 JHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164820226 720177897 /nfs/dbraw/zinc/17/78/97/720177897.db2.gz ZUBAZLCGZLSAKG-VGOFRKELSA-N 1 1 463.960 3.922 20 0 JHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CCC2 ZINC001164818272 720246188 /nfs/dbraw/zinc/24/61/88/720246188.db2.gz YDLYNUGRVGOCLD-UHFFFAOYSA-N 1 1 462.328 3.620 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C2)C1 ZINC001164721597 720284302 /nfs/dbraw/zinc/28/43/02/720284302.db2.gz LPFSQEAFPOXCKL-XMMPIXPASA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C2)C1 ZINC001164721597 720284307 /nfs/dbraw/zinc/28/43/07/720284307.db2.gz LPFSQEAFPOXCKL-XMMPIXPASA-N 1 1 486.041 3.677 20 0 JHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164721002 720288097 /nfs/dbraw/zinc/28/80/97/720288097.db2.gz HHKBENRFCQRULD-RUZDIDTESA-N 1 1 497.690 3.573 20 0 JHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164721002 720288101 /nfs/dbraw/zinc/28/81/01/720288101.db2.gz HHKBENRFCQRULD-RUZDIDTESA-N 1 1 497.690 3.573 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164826722 720389187 /nfs/dbraw/zinc/38/91/87/720389187.db2.gz XMBIEJWGVHVSAV-SDHSZQHLSA-N 1 1 477.634 3.753 20 0 JHADMO Cc1nc(CO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164826722 720389194 /nfs/dbraw/zinc/38/91/94/720389194.db2.gz XMBIEJWGVHVSAV-SDHSZQHLSA-N 1 1 477.634 3.753 20 0 JHADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164824900 720422041 /nfs/dbraw/zinc/42/20/41/720422041.db2.gz MEFIEDAXYVVNED-DYXWJJEUSA-N 1 1 497.709 3.779 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c2c1C ZINC001164723630 720502235 /nfs/dbraw/zinc/50/22/35/720502235.db2.gz CUSINDCMMNRVRX-RXFWQSSRSA-N 1 1 492.649 3.923 20 0 JHADMO 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 720557121 /nfs/dbraw/zinc/55/71/21/720557121.db2.gz USSOEQGQBWIAHY-PCCBWWKXSA-N 1 1 459.038 3.791 20 0 JHADMO 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 ZINC001164839532 720557583 /nfs/dbraw/zinc/55/75/83/720557583.db2.gz QHWKFEWRRGYYOQ-RCCFBDPRSA-N 1 1 467.948 3.641 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833787 720563825 /nfs/dbraw/zinc/56/38/25/720563825.db2.gz BPYOGOHOXSUAAK-XYJFISCASA-N 1 1 461.948 3.797 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ncn4Cc3ccccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833738 720564146 /nfs/dbraw/zinc/56/41/46/720564146.db2.gz BILSZCHWLQFOKC-QNWVGRARSA-N 1 1 474.588 3.588 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843269 720609698 /nfs/dbraw/zinc/60/96/98/720609698.db2.gz XIIIKRKTTQGRAF-TXPKVOOTSA-N 1 1 450.965 3.738 20 0 JHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835962 720610887 /nfs/dbraw/zinc/61/08/87/720610887.db2.gz DEHCQLRFIRIYKU-UNWVZKJWSA-N 1 1 471.049 3.982 20 0 JHADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738586 720711851 /nfs/dbraw/zinc/71/18/51/720711851.db2.gz KPVHZNWCBZVCHG-ZIAGYGMSSA-N 1 1 467.307 3.613 20 0 JHADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738586 720711861 /nfs/dbraw/zinc/71/18/61/720711861.db2.gz KPVHZNWCBZVCHG-ZIAGYGMSSA-N 1 1 467.307 3.613 20 0 JHADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840888 720714429 /nfs/dbraw/zinc/71/44/29/720714429.db2.gz RSIUBIXSAWHVCF-JOCHJYFZSA-N 1 1 486.682 3.808 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164838102 720729459 /nfs/dbraw/zinc/72/94/59/720729459.db2.gz RZLLNYRHAWMEKZ-IBGZPJMESA-N 1 1 492.451 3.880 20 0 JHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164838103 720730070 /nfs/dbraw/zinc/73/00/70/720730070.db2.gz RZLLNYRHAWMEKZ-LJQANCHMSA-N 1 1 492.451 3.880 20 0 JHADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164742175 720785703 /nfs/dbraw/zinc/78/57/03/720785703.db2.gz CKHGQUADRFPAAI-VQTJNVASSA-N 1 1 462.985 3.808 20 0 JHADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743523 720792065 /nfs/dbraw/zinc/79/20/65/720792065.db2.gz GMRULSXZENHWRJ-UXHICEINSA-N 1 1 487.633 3.552 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@@H]32)n1 ZINC001164848477 720803686 /nfs/dbraw/zinc/80/36/86/720803686.db2.gz PVCVOXUZNXDYEO-GIVPXCGWSA-N 1 1 477.634 3.540 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)n1 ZINC001164848484 720803844 /nfs/dbraw/zinc/80/38/44/720803844.db2.gz PVCVOXUZNXDYEO-JBACZVJFSA-N 1 1 477.634 3.540 20 0 JHADMO 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JHADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)o2)cc1 ZINC001164750269 720848880 /nfs/dbraw/zinc/84/88/80/720848880.db2.gz WXQJPXQZELRJDS-BHIFYINESA-N 1 1 470.581 3.564 20 0 JHADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739502 720849226 /nfs/dbraw/zinc/84/92/26/720849226.db2.gz AOVUOHHTSPALEI-ABSDTBQOSA-N 1 1 489.958 3.906 20 0 JHADMO Clc1ncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Oc2ccccc2)n1 ZINC001164746875 720858101 /nfs/dbraw/zinc/85/81/01/720858101.db2.gz GVKYRBMRQNRRFB-SVFBPWRDSA-N 1 1 465.989 3.893 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164851522 720859698 /nfs/dbraw/zinc/85/96/98/720859698.db2.gz ALMZGPUKYNJAQV-CXAGYDPISA-N 1 1 461.340 3.655 20 0 JHADMO Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1 ZINC001164748230 720860543 /nfs/dbraw/zinc/86/05/43/720860543.db2.gz LGOCBVSEDDODHA-JFIYKMOQSA-N 1 1 471.820 3.669 20 0 JHADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755456 720867444 /nfs/dbraw/zinc/86/74/44/720867444.db2.gz XHWLJCIZDWKFAD-JYFHCDHNSA-N 1 1 450.631 3.755 20 0 JHADMO Clc1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752322 720868931 /nfs/dbraw/zinc/86/89/31/720868931.db2.gz MLGZBUHTRROGTB-YADARESESA-N 1 1 452.990 3.761 20 0 JHADMO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164753871 720869855 /nfs/dbraw/zinc/86/98/55/720869855.db2.gz QERAYJPCBJIOAT-UUOWRZLLSA-N 1 1 470.980 3.901 20 0 JHADMO COC(=O)c1c(Cl)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755235 720874145 /nfs/dbraw/zinc/87/41/45/720874145.db2.gz VHHQMHAZBUSLDJ-CJFMBICVSA-N 1 1 471.001 3.672 20 0 JHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164860038 720874222 /nfs/dbraw/zinc/87/42/22/720874222.db2.gz NYNQRNVDILWSNQ-PZJWPPBQSA-N 1 1 479.650 3.806 20 0 JHADMO 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COc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753891 720889807 /nfs/dbraw/zinc/88/98/07/720889807.db2.gz HPJHXHHLTVJQKW-AJTFRIOCSA-N 1 1 459.594 3.789 20 0 JHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750915 720889972 /nfs/dbraw/zinc/88/99/72/720889972.db2.gz CEFBRFZKHRDKOQ-QDPGVEIFSA-N 1 1 491.636 3.681 20 0 JHADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754557 720890241 /nfs/dbraw/zinc/89/02/41/720890241.db2.gz JJAHJJIGCUSLPN-RBJSKKJNSA-N 1 1 477.653 3.760 20 0 JHADMO CCOC(=O)c1cc(C)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757897 720890349 /nfs/dbraw/zinc/89/03/49/720890349.db2.gz WFZSDXBBJIXMTF-WNCULLNHSA-N 1 1 464.610 3.717 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4OC)nnc3Cl)CC[C@@H]2C1 ZINC001164860107 720891833 /nfs/dbraw/zinc/89/18/33/720891833.db2.gz SISSGSBDHXRNGH-IERDGZPVSA-N 1 1 482.959 3.524 20 0 JHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@H]2C1 ZINC001164860888 720892222 /nfs/dbraw/zinc/89/22/22/720892222.db2.gz VVYGCRFTCCSCGB-JXFKEZNVSA-N 1 1 470.923 3.655 20 0 JHADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164750489 720892355 /nfs/dbraw/zinc/89/23/55/720892355.db2.gz BICJBGLVZUOINE-HOFKKMOUSA-N 1 1 459.594 3.789 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH]c-2n1 ZINC001164751803 720898033 /nfs/dbraw/zinc/89/80/33/720898033.db2.gz DSFWUFNZUPXFBL-QDPGVEIFSA-N 1 1 489.620 3.890 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2[nH]1 ZINC001164751803 720898036 /nfs/dbraw/zinc/89/80/36/720898036.db2.gz DSFWUFNZUPXFBL-QDPGVEIFSA-N 1 1 489.620 3.890 20 0 JHADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2[nH]1 ZINC001164751803 720898037 /nfs/dbraw/zinc/89/80/37/720898037.db2.gz DSFWUFNZUPXFBL-QDPGVEIFSA-N 1 1 489.620 3.890 20 0 JHADMO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1OC ZINC001164750874 720907122 /nfs/dbraw/zinc/90/71/22/720907122.db2.gz KZGZVICDWKJKAM-CPJSRVTESA-N 1 1 470.017 3.932 20 0 JHADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747451 720910036 /nfs/dbraw/zinc/91/00/36/720910036.db2.gz DFTXSBOPXRQKRG-REWPJTCUSA-N 1 1 493.986 3.747 20 0 JHADMO CC1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164755129 720911927 /nfs/dbraw/zinc/91/19/27/720911927.db2.gz YNQMEBZMJNPZKU-NAKRPHOHSA-N 1 1 476.669 3.863 20 0 JHADMO CN(C)C(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751522 720913604 /nfs/dbraw/zinc/91/36/04/720913604.db2.gz MRNPFIHCTZYIBF-NVQXNPDNSA-N 1 1 484.044 3.587 20 0 JHADMO CN(C)C(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751509 720913744 /nfs/dbraw/zinc/91/37/44/720913744.db2.gz MRNPFIHCTZYIBF-BKMJKUGQSA-N 1 1 484.044 3.587 20 0 JHADMO c1ccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)nc1 ZINC001164747825 720914448 /nfs/dbraw/zinc/91/44/48/720914448.db2.gz DLPQJFBPUFOCSC-WNCULLNHSA-N 1 1 456.594 3.689 20 0 JHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(-c4ccncc4)ncn2)C3)c1 ZINC001164753190 720915086 /nfs/dbraw/zinc/91/50/86/720915086.db2.gz QUGXMPPIZFILAW-SQHAQQRYSA-N 1 1 456.594 3.689 20 0 JHADMO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753262 720921267 /nfs/dbraw/zinc/92/12/67/720921267.db2.gz RFJSJFZQDDXRIB-LBNVMWSVSA-N 1 1 470.621 3.997 20 0 JHADMO CC(C)COc1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749163 720925663 /nfs/dbraw/zinc/92/56/63/720925663.db2.gz IDIQEZQVOMBDBD-JYFHCDHNSA-N 1 1 451.615 3.662 20 0 JHADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001164861632 720930421 /nfs/dbraw/zinc/93/04/21/720930421.db2.gz TZYLNZGKPSYABX-LJQANCHMSA-N 1 1 493.637 3.595 20 0 JHADMO CCOC(Cc1c(Cl)ncnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C)OCC ZINC001164857924 720963209 /nfs/dbraw/zinc/96/32/09/720963209.db2.gz IGLQNAFZKUFQDH-INIZCTEOSA-N 1 1 451.015 3.690 20 0 JHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)NCCSCc1ccco1)[C@@H]2C ZINC001164862782 720976930 /nfs/dbraw/zinc/97/69/30/720976930.db2.gz UPLQONNGRCESEP-LJQANCHMSA-N 1 1 482.654 3.956 20 0 JHADMO c1cncc(CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@H]3COC[C@@H]32)c1 ZINC001164758713 721008483 /nfs/dbraw/zinc/00/84/83/721008483.db2.gz JMLFJQQQBAYGST-FDFHNCONSA-N 1 1 491.661 3.981 20 0 JHADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862731 721032608 /nfs/dbraw/zinc/03/26/08/721032608.db2.gz PHGATHGAMJCUDA-UHFFFAOYSA-N 1 1 464.307 3.986 20 0 JHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cnn(C)c3)c2c1C ZINC001164760292 721037619 /nfs/dbraw/zinc/03/76/19/721037619.db2.gz CMXLUOBSMYXMAW-VQTJNVASSA-N 1 1 479.654 3.521 20 0 JHADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164867357 721083647 /nfs/dbraw/zinc/08/36/47/721083647.db2.gz YERKSYKSUPIQOV-IAGOWNOFSA-N 1 1 463.891 3.842 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@H]3C2)cn1 ZINC001164768115 721135299 /nfs/dbraw/zinc/13/52/99/721135299.db2.gz NHAVGCQOIWPMQC-RBUKOAKNSA-N 1 1 468.964 3.818 20 0 JHADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164871608 721149068 /nfs/dbraw/zinc/14/90/68/721149068.db2.gz FWIAHLNNEJFNGR-QUCCMNQESA-N 1 1 455.921 3.936 20 0 JHADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761194 721193662 /nfs/dbraw/zinc/19/36/62/721193662.db2.gz ADJUEBBNZRLZHZ-QZTJIDSGSA-N 1 1 453.974 3.757 20 0 JHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@H]3C2)cn1 ZINC001164771424 721202275 /nfs/dbraw/zinc/20/22/75/721202275.db2.gz POZJAIDFZLKYCX-VQTJNVASSA-N 1 1 450.974 3.679 20 0 JHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164763207 721241455 /nfs/dbraw/zinc/24/14/55/721241455.db2.gz MTJVZRMDGHWDHS-QZTJIDSGSA-N 1 1 454.962 3.623 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1 ZINC001164869830 721270904 /nfs/dbraw/zinc/27/09/04/721270904.db2.gz PEFXJWYFCBQZLP-UHFFFAOYSA-N 1 1 485.632 3.818 20 0 JHADMO Cc1nc2scc(-c3cccs3)c2c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164872056 721284712 /nfs/dbraw/zinc/28/47/12/721284712.db2.gz ACDLSQHGBZMKEN-UHFFFAOYSA-N 1 1 485.679 3.735 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC2)C1 ZINC001164877921 721293171 /nfs/dbraw/zinc/29/31/71/721293171.db2.gz QASFGTXFDCQEOC-UHFFFAOYSA-N 1 1 494.423 3.583 20 0 JHADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC2)C1 ZINC001164877164 721293918 /nfs/dbraw/zinc/29/39/18/721293918.db2.gz LXFUAEPONQOPQH-UHFFFAOYSA-N 1 1 485.019 3.556 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NCc3ccccc3)C2)C1 ZINC001164776770 721337234 /nfs/dbraw/zinc/33/72/34/721337234.db2.gz IWUGCHGPPYABMP-MUUNZHRXSA-N 1 1 489.620 3.735 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NCc3ccccc3)C2)C1 ZINC001164776770 721337237 /nfs/dbraw/zinc/33/72/37/721337237.db2.gz IWUGCHGPPYABMP-MUUNZHRXSA-N 1 1 489.620 3.735 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164777850 721339225 /nfs/dbraw/zinc/33/92/25/721339225.db2.gz IXSGWFHAYKTEHH-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164777850 721339228 /nfs/dbraw/zinc/33/92/28/721339228.db2.gz IXSGWFHAYKTEHH-FQEVSTJZSA-N 1 1 455.937 3.707 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1 ZINC001164777381 721343799 /nfs/dbraw/zinc/34/37/99/721343799.db2.gz GNVXBIMCRJJBQI-OAQYLSRUSA-N 1 1 450.008 3.601 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CSC4)C2)C1 ZINC001164777381 721343801 /nfs/dbraw/zinc/34/38/01/721343801.db2.gz GNVXBIMCRJJBQI-OAQYLSRUSA-N 1 1 450.008 3.601 20 0 JHADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)n1 ZINC001164887786 721345085 /nfs/dbraw/zinc/34/50/85/721345085.db2.gz VOXUPTUCRLXDES-JIPXPUAJSA-N 1 1 491.661 3.932 20 0 JHADMO CSc1nc2c(c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n1)CCCC2 ZINC001164776771 721348632 /nfs/dbraw/zinc/34/86/32/721348632.db2.gz CRTVDJBOXUPRIH-XMMPIXPASA-N 1 1 457.644 3.801 20 0 JHADMO CSc1nc2c(c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n1)CCCC2 ZINC001164776771 721348633 /nfs/dbraw/zinc/34/86/33/721348633.db2.gz CRTVDJBOXUPRIH-XMMPIXPASA-N 1 1 457.644 3.801 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164779071 721350390 /nfs/dbraw/zinc/35/03/90/721350390.db2.gz QDBQILLQBNLGDV-SANMLTNESA-N 1 1 479.581 3.530 20 0 JHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164779937 721360676 /nfs/dbraw/zinc/36/06/76/721360676.db2.gz AVWKGCXJMJORFH-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164779937 721360679 /nfs/dbraw/zinc/36/06/79/721360679.db2.gz AVWKGCXJMJORFH-SANMLTNESA-N 1 1 463.582 3.779 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780301 721363436 /nfs/dbraw/zinc/36/34/36/721363436.db2.gz FVOJWRNQRUMCSU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780301 721363437 /nfs/dbraw/zinc/36/34/37/721363437.db2.gz FVOJWRNQRUMCSU-JOCHJYFZSA-N 1 1 498.958 3.790 20 0 JHADMO COc1ccccc1-c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164780306 721366421 /nfs/dbraw/zinc/36/64/21/721366421.db2.gz FXNSSEMUYDPWGM-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO COc1ccccc1-c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164780306 721366424 /nfs/dbraw/zinc/36/64/24/721366424.db2.gz FXNSSEMUYDPWGM-SANMLTNESA-N 1 1 463.582 3.876 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887891 721381040 /nfs/dbraw/zinc/38/10/40/721381040.db2.gz ITLWCMQZGCWSMB-JTSKRJEESA-N 1 1 450.414 3.702 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894128 721391923 /nfs/dbraw/zinc/39/19/23/721391923.db2.gz XUVAUOGZOIPQOP-PGRDOPGGSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892401 721402473 /nfs/dbraw/zinc/40/24/73/721402473.db2.gz YACRICZWUGRBSD-JTSKRJEESA-N 1 1 450.414 3.702 20 0 JHADMO CSc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164885252 721418685 /nfs/dbraw/zinc/41/86/85/721418685.db2.gz GJDFBTACKMIBQD-UZLBHIALSA-N 1 1 461.022 3.767 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883567 721421193 /nfs/dbraw/zinc/42/11/93/721421193.db2.gz AWKTVDIRRCQKPG-HTAPYJJXSA-N 1 1 465.976 3.594 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C3)O2)CC1 ZINC001164896168 721427886 /nfs/dbraw/zinc/42/78/86/721427886.db2.gz QTJFBMZOZCXDQM-WNJJXGMVSA-N 1 1 492.664 3.950 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C3)O2)CC1 ZINC001164895450 721436594 /nfs/dbraw/zinc/43/65/94/721436594.db2.gz PDQSFHUHYCBAFW-RDPSFJRHSA-N 1 1 475.996 3.827 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164898258 721438039 /nfs/dbraw/zinc/43/80/39/721438039.db2.gz VNGSFJOFGHYMIF-VGOFRKELSA-N 1 1 465.976 3.594 20 0 JHADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891437 721438114 /nfs/dbraw/zinc/43/81/14/721438114.db2.gz GODSHJJBTHBOOZ-SQJMNOBHSA-N 1 1 456.034 3.871 20 0 JHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898344 721440782 /nfs/dbraw/zinc/44/07/82/721440782.db2.gz VSBWGKNUCRSCCG-OZXSUGGESA-N 1 1 454.590 3.565 20 0 JHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890717 721445420 /nfs/dbraw/zinc/44/54/20/721445420.db2.gz DMRGTZSVOSGAMF-HXOBKFHXSA-N 1 1 465.976 3.986 20 0 JHADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164893295 721448638 /nfs/dbraw/zinc/44/86/38/721448638.db2.gz ZAHHRTANJQFDGQ-BWKNWUBXSA-N 1 1 472.033 3.996 20 0 JHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164885894 721451268 /nfs/dbraw/zinc/45/12/68/721451268.db2.gz FVLOARNZNVUPCK-BWKNWUBXSA-N 1 1 488.032 3.696 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164790253 721451602 /nfs/dbraw/zinc/45/16/02/721451602.db2.gz XOIDFLMHWNEVRP-GOSISDBHSA-N 1 1 458.981 3.717 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164784441 721457891 /nfs/dbraw/zinc/45/78/91/721457891.db2.gz IBBBUVLGAXHAPZ-HSZRJFAPSA-N 1 1 467.610 3.755 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164786884 721458357 /nfs/dbraw/zinc/45/83/57/721458357.db2.gz QDKJRCBMVREVFC-QHCPKHFHSA-N 1 1 467.610 3.755 20 0 JHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5O[C@@H](C(=O)NCC6CC6)C[C@H]54)c23)C1 ZINC001164887168 721458955 /nfs/dbraw/zinc/45/89/55/721458955.db2.gz IZUSOYPJESISAT-RZXSNQJFSA-N 1 1 495.693 3.674 20 0 JHADMO CCCN(CCC)c1cncc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789258 721463698 /nfs/dbraw/zinc/46/36/98/721463698.db2.gz WDDZDVAVLFMMSK-QHCPKHFHSA-N 1 1 459.679 3.837 20 0 JHADMO CCCN(CCC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ncn1 ZINC001164782784 721463706 /nfs/dbraw/zinc/46/37/06/721463706.db2.gz BUYHRIUCMYUJNA-HSZRJFAPSA-N 1 1 459.679 3.837 20 0 JHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164789499 721470101 /nfs/dbraw/zinc/47/01/01/721470101.db2.gz NFVZVDPBUNVRMV-OAQYLSRUSA-N 1 1 471.671 3.951 20 0 JHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164786389 721471287 /nfs/dbraw/zinc/47/12/87/721471287.db2.gz BCLZCDJLPIJCNY-IBGZPJMESA-N 1 1 466.022 3.564 20 0 JHADMO O=C(C[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCC(F)CC1 ZINC001164894993 721477631 /nfs/dbraw/zinc/47/76/31/721477631.db2.gz QDHOWXLSEQESSQ-RMTZWNOUSA-N 1 1 492.639 3.689 20 0 JHADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796769 721500887 /nfs/dbraw/zinc/50/08/87/721500887.db2.gz XAPCGVYVZFQECD-UHFFFAOYSA-N 1 1 471.671 3.682 20 0 JHADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164899903 721520420 /nfs/dbraw/zinc/52/04/20/721520420.db2.gz MINUQRPLKPBPRO-TZIWHRDSSA-N 1 1 458.965 3.842 20 0 JHADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900711 721522528 /nfs/dbraw/zinc/52/25/28/721522528.db2.gz UGRLISKMURUOAV-GDBMZVCRSA-N 1 1 455.864 3.548 20 0 JHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911083 721539551 /nfs/dbraw/zinc/53/95/51/721539551.db2.gz VLWXIURKKNJKOS-DOTOQJQBSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164805754 721540625 /nfs/dbraw/zinc/54/06/25/721540625.db2.gz NBTIMKOJLZAPRQ-ZENOOKHLSA-N 1 1 480.787 3.643 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164805754 721540628 /nfs/dbraw/zinc/54/06/28/721540628.db2.gz NBTIMKOJLZAPRQ-ZENOOKHLSA-N 1 1 480.787 3.643 20 0 JHADMO COc1cc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC ZINC001164810559 721545455 /nfs/dbraw/zinc/54/54/55/721545455.db2.gz XHMKQCNYEFSIKQ-IPJJNNNSSA-N 1 1 469.973 3.564 20 0 JHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164905375 721551131 /nfs/dbraw/zinc/55/11/31/721551131.db2.gz HBQNEHCLWYHRRJ-AEFFLSMTSA-N 1 1 468.533 3.786 20 0 JHADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911054 721552710 /nfs/dbraw/zinc/55/27/10/721552710.db2.gz YGZGUWDWJSPVDF-GOEBONIOSA-N 1 1 455.864 3.548 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 ZINC001164800447 721559009 /nfs/dbraw/zinc/55/90/09/721559009.db2.gz FNDHLOVNGCQRKH-SDHSZQHLSA-N 1 1 472.568 3.882 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)ccc-3c2=O)cc1 ZINC001164801014 721574450 /nfs/dbraw/zinc/57/44/50/721574450.db2.gz GCFDKMOBSGHBOX-UNCTUWKVSA-N 1 1 499.615 3.509 20 0 JHADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)ccc-3c2=O)cc1 ZINC001164801014 721574454 /nfs/dbraw/zinc/57/44/54/721574454.db2.gz GCFDKMOBSGHBOX-UNCTUWKVSA-N 1 1 499.615 3.509 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164804667 721575473 /nfs/dbraw/zinc/57/54/73/721575473.db2.gz LQNPUQKHVROALL-UBFVSLLYSA-N 1 1 458.610 3.883 20 0 JHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC001164902509 721580455 /nfs/dbraw/zinc/58/04/55/721580455.db2.gz FRIXQWNKJJZNPD-VWLOTQADSA-N 1 1 481.670 3.816 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@@H]2CCCO[C@@H]12 ZINC001164810270 721587211 /nfs/dbraw/zinc/58/72/11/721587211.db2.gz VPHCHBUZMWQQJF-ZHALLVOQSA-N 1 1 476.915 3.593 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)[C@@H]2CCCO[C@@H]12 ZINC001164810270 721587213 /nfs/dbraw/zinc/58/72/13/721587213.db2.gz VPHCHBUZMWQQJF-ZHALLVOQSA-N 1 1 476.915 3.593 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(C)n2)cc1 ZINC001164805075 721587841 /nfs/dbraw/zinc/58/78/41/721587841.db2.gz KOHVYRZKWHHKIW-UMFSSWHCSA-N 1 1 461.566 3.849 20 0 JHADMO COc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(C)n2)cc1 ZINC001164805075 721587843 /nfs/dbraw/zinc/58/78/43/721587843.db2.gz KOHVYRZKWHHKIW-UMFSSWHCSA-N 1 1 461.566 3.849 20 0 JHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164808332 721590906 /nfs/dbraw/zinc/59/09/06/721590906.db2.gz QRNQPDXMGAKZON-NLWGTHIKSA-N 1 1 481.931 3.635 20 0 JHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164808332 721590908 /nfs/dbraw/zinc/59/09/08/721590908.db2.gz QRNQPDXMGAKZON-NLWGTHIKSA-N 1 1 481.931 3.635 20 0 JHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164798575 721594479 /nfs/dbraw/zinc/59/44/79/721594479.db2.gz KDXRXPJGHLQMEL-RDGATRHJSA-N 1 1 470.639 3.719 20 0 JHADMO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc21 ZINC001164907872 721696499 /nfs/dbraw/zinc/69/64/99/721696499.db2.gz VKPHQVAVJDNJSX-HSZRJFAPSA-N 1 1 453.493 3.549 20 0 JHADMO CCOC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907731 721704902 /nfs/dbraw/zinc/70/49/02/721704902.db2.gz SYRXWALFEWYAAZ-DEOSSOPVSA-N 1 1 467.520 3.939 20 0 JHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911260 721737075 /nfs/dbraw/zinc/73/70/75/721737075.db2.gz JRKHSSNXROJSDX-BTYIYWSLSA-N 1 1 465.932 3.539 20 0 JHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001165012701 721748241 /nfs/dbraw/zinc/74/82/41/721748241.db2.gz MGAFOZLVRJMXOW-UHFFFAOYSA-N 1 1 463.960 3.865 20 0 JHADMO CCOC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1OCC ZINC001164910112 721753525 /nfs/dbraw/zinc/75/35/25/721753525.db2.gz MOTJEYNTMBEVEY-UHFFFAOYSA-N 1 1 450.539 3.840 20 0 JHADMO CCOC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1OCC ZINC001164910112 721753528 /nfs/dbraw/zinc/75/35/28/721753528.db2.gz MOTJEYNTMBEVEY-UHFFFAOYSA-N 1 1 450.539 3.840 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164909557 721759048 /nfs/dbraw/zinc/75/90/48/721759048.db2.gz HXDWUMGHPZCPEW-UHFFFAOYSA-N 1 1 463.582 3.741 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164909557 721759052 /nfs/dbraw/zinc/75/90/52/721759052.db2.gz HXDWUMGHPZCPEW-UHFFFAOYSA-N 1 1 463.582 3.741 20 0 JHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164911150 721763416 /nfs/dbraw/zinc/76/34/16/721763416.db2.gz NCSMTGSNTITHPR-UHFFFAOYSA-N 1 1 456.337 3.909 20 0 JHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164911150 721763421 /nfs/dbraw/zinc/76/34/21/721763421.db2.gz NCSMTGSNTITHPR-UHFFFAOYSA-N 1 1 456.337 3.909 20 0 JHADMO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165019330 721780018 /nfs/dbraw/zinc/78/00/18/721780018.db2.gz KCZYGTITVFJNDO-PBWSGDRGSA-N 1 1 473.621 3.680 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164913262 721797815 /nfs/dbraw/zinc/79/78/15/721797815.db2.gz CJOHUHCIOIJQRZ-GDLZYMKVSA-N 1 1 497.599 3.808 20 0 JHADMO COc1cccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164913262 721797817 /nfs/dbraw/zinc/79/78/17/721797817.db2.gz CJOHUHCIOIJQRZ-GDLZYMKVSA-N 1 1 497.599 3.808 20 0 JHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019597 721804357 /nfs/dbraw/zinc/80/43/57/721804357.db2.gz DGINAXDWFOQWFK-SZMVWBNQSA-N 1 1 450.965 3.873 20 0 JHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCOCC3)C[C@H]21 ZINC001165019840 721811145 /nfs/dbraw/zinc/81/11/45/721811145.db2.gz BZUMTTBLRFRZQK-NIRIFSCTSA-N 1 1 458.610 3.598 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1=O ZINC001165022217 721821733 /nfs/dbraw/zinc/82/17/33/721821733.db2.gz GSBCVXFFIRJKJR-XKGZKEIXSA-N 1 1 455.006 3.626 20 0 JHADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1=O ZINC001165022213 721821859 /nfs/dbraw/zinc/82/18/59/721821859.db2.gz GSBCVXFFIRJKJR-QRFRQXIXSA-N 1 1 455.006 3.626 20 0 JHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C(=O)OCC ZINC001165024022 721831843 /nfs/dbraw/zinc/83/18/43/721831843.db2.gz JIBZAVATTRPNLW-NMNUPHIUSA-N 1 1 466.582 3.567 20 0 JHADMO 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 721832239 /nfs/dbraw/zinc/83/22/39/721832239.db2.gz USUMUDVWRXAVFC-KFKAGJAMSA-N 1 1 485.000 3.815 20 0 JHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc1 ZINC001164928682 721833850 /nfs/dbraw/zinc/83/38/50/721833850.db2.gz XOCINEADVBCGIT-ZCYQVOJMSA-N 1 1 471.671 3.501 20 0 JHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164944552 721973955 /nfs/dbraw/zinc/97/39/55/721973955.db2.gz KNRDXCOFZQSVTL-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164944552 721973958 /nfs/dbraw/zinc/97/39/58/721973958.db2.gz KNRDXCOFZQSVTL-UHFFFAOYSA-N 1 1 456.377 3.908 20 0 JHADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C(=O)NCC[N@H+]5Cc4ccccc4)c32)C1 ZINC001164945797 721973989 /nfs/dbraw/zinc/97/39/89/721973989.db2.gz SBDXCMRQGPUBFH-SFHVURJKSA-N 1 1 461.635 3.787 20 0 JHADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C(=O)NCC[N@@H+]5Cc4ccccc4)c32)C1 ZINC001164945797 721973990 /nfs/dbraw/zinc/97/39/90/721973990.db2.gz SBDXCMRQGPUBFH-SFHVURJKSA-N 1 1 461.635 3.787 20 0 JHADMO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164954094 722010191 /nfs/dbraw/zinc/01/01/91/722010191.db2.gz IFJYPLCAKQRHPD-QYBDOPJKSA-N 1 1 498.697 3.565 20 0 JHADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958106 722052110 /nfs/dbraw/zinc/05/21/10/722052110.db2.gz COKIUUASBLSFQE-UHFFFAOYSA-N 1 1 458.340 3.842 20 0 JHADMO c1ccc(CN2CCc3ncnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c3C2)cc1 ZINC001164960518 722053275 /nfs/dbraw/zinc/05/32/75/722053275.db2.gz QYULHYUGGSITTA-UHFFFAOYSA-N 1 1 484.648 3.549 20 0 JHADMO FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963258 722055646 /nfs/dbraw/zinc/05/56/46/722055646.db2.gz KDBORCJPUOQTKZ-UHFFFAOYSA-N 1 1 452.933 3.716 20 0 JHADMO O=C1[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969116 722082132 /nfs/dbraw/zinc/08/21/32/722082132.db2.gz IBJZAVWRWQLOLE-FCHUYYIVSA-N 1 1 472.992 3.724 20 0 JHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976406 722105962 /nfs/dbraw/zinc/10/59/62/722105962.db2.gz CUWHXCJXECEILL-DYESRHJHSA-N 1 1 459.928 3.950 20 0 JHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980437 722112639 /nfs/dbraw/zinc/11/26/39/722112639.db2.gz RETKICKQCOUNAQ-DYESRHJHSA-N 1 1 459.928 3.950 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980310 722133504 /nfs/dbraw/zinc/13/35/04/722133504.db2.gz MRORRJGGPOWADL-DYESRHJHSA-N 1 1 475.927 3.830 20 0 JHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980313 722133669 /nfs/dbraw/zinc/13/36/69/722133669.db2.gz MRORRJGGPOWADL-UTKZUKDTSA-N 1 1 475.927 3.830 20 0 JHADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164978861 722145905 /nfs/dbraw/zinc/14/59/05/722145905.db2.gz JZQTXXQPIDDRBM-UWJYYQICSA-N 1 1 489.954 3.959 20 0 JHADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977024 722146284 /nfs/dbraw/zinc/14/62/84/722146284.db2.gz HOAWNZITAHUMGR-UYAOXDASSA-N 1 1 486.954 3.859 20 0 JHADMO COc1ccc(Oc2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972473 722152625 /nfs/dbraw/zinc/15/26/25/722152625.db2.gz IAEPDGCAKQZGPF-QPPBQGQZSA-N 1 1 461.566 3.708 20 0 JHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972604 722155331 /nfs/dbraw/zinc/15/53/31/722155331.db2.gz IOUUHNLBTNJOCJ-WBVHZDCISA-N 1 1 459.324 3.935 20 0 JHADMO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1N1CCCCC1 ZINC001164973086 722158763 /nfs/dbraw/zinc/15/87/63/722158763.db2.gz LAPNKMVMJWCPSO-RTBURBONSA-N 1 1 477.440 3.896 20 0 JHADMO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@@H]32)cs1 ZINC001164994706 722180490 /nfs/dbraw/zinc/18/04/90/722180490.db2.gz ZXRXLGIHOYSBGG-UIOOFZCWSA-N 1 1 490.677 3.670 20 0 JHADMO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]32)cs1 ZINC001164994706 722180491 /nfs/dbraw/zinc/18/04/91/722180491.db2.gz ZXRXLGIHOYSBGG-UIOOFZCWSA-N 1 1 490.677 3.670 20 0 JHADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)C3)c1 ZINC001164993619 722195191 /nfs/dbraw/zinc/19/51/91/722195191.db2.gz FRQAVZJSRURKJX-JOCHJYFZSA-N 1 1 481.950 3.896 20 0 JHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCOCC4)n2)C3)c1 ZINC001164993619 722195194 /nfs/dbraw/zinc/19/51/94/722195194.db2.gz FRQAVZJSRURKJX-JOCHJYFZSA-N 1 1 481.950 3.896 20 0 JHADMO O=C(c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCOCC1 ZINC001164993753 722209465 /nfs/dbraw/zinc/20/94/65/722209465.db2.gz AMJOAHPUPJFNPI-DEOSSOPVSA-N 1 1 458.965 3.591 20 0 JHADMO O=C(c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCOCC1 ZINC001164993753 722209466 /nfs/dbraw/zinc/20/94/66/722209466.db2.gz AMJOAHPUPJFNPI-DEOSSOPVSA-N 1 1 458.965 3.591 20 0 JHADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)[C@H]2C1 ZINC001164997889 722216453 /nfs/dbraw/zinc/21/64/53/722216453.db2.gz SRJYBXWJCXBAHT-SESVDKBCSA-N 1 1 479.650 3.928 20 0 JHADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4nc(Cl)c(Cl)nc4c2)CC3)CC1 ZINC001164996302 722234190 /nfs/dbraw/zinc/23/41/90/722234190.db2.gz BIYIGGWPHZYKNH-UHFFFAOYSA-N 1 1 494.377 3.629 20 0 JHADMO