smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@H+]5CCC[C@@H]6CCCC[C@H]65)C4=O)cc3)sc2c1 ZINC000001010209 194002592 /nfs/dbraw/zinc/00/25/92/194002592.db2.gz AAUUMHAFSZYNOZ-NMNUPHIUSA-N 1 1 459.615 5.558 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000001447614 194122820 /nfs/dbraw/zinc/12/28/20/194122820.db2.gz WLCFBJWRGRMEFK-UHFFFAOYSA-N 1 1 491.389 5.193 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(OC)c(OC)c2)cc1 ZINC000001447644 194122961 /nfs/dbraw/zinc/12/29/61/194122961.db2.gz MRTSRDOGGNSHAJ-UHFFFAOYSA-N 1 1 480.568 5.768 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1OCc1ccccc1 ZINC000002928828 194172984 /nfs/dbraw/zinc/17/29/84/194172984.db2.gz GQBOIZDYKJZSFO-NDEPHWFRSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1OCc1ccccc1 ZINC000002928828 194172987 /nfs/dbraw/zinc/17/29/87/194172987.db2.gz GQBOIZDYKJZSFO-NDEPHWFRSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1OC ZINC000002974957 194190577 /nfs/dbraw/zinc/19/05/77/194190577.db2.gz FPOWDODMPAVFII-UHFFFAOYSA-N 1 1 499.014 6.721 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)C1CCCCC1 ZINC000003040031 194215072 /nfs/dbraw/zinc/21/50/72/194215072.db2.gz UKJMROKAICCBHI-UHFFFAOYSA-N 1 1 451.611 5.910 50 0 JKAAMO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[N@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000003046649 194216755 /nfs/dbraw/zinc/21/67/55/194216755.db2.gz SJDOSALRWNJGPG-DIBXZPPDSA-N 1 1 485.653 5.113 50 0 JKAAMO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)[N@@H+](C)C2 ZINC000003124386 194228781 /nfs/dbraw/zinc/22/87/81/194228781.db2.gz JRVRJAICROYIRM-GDLZYMKVSA-N 1 1 465.593 6.582 50 0 JKAAMO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)[N@@H+](C)C2 ZINC000003124388 194228936 /nfs/dbraw/zinc/22/89/36/194228936.db2.gz JRVRJAICROYIRM-LJAQVGFWSA-N 1 1 465.593 6.582 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003204303 194238677 /nfs/dbraw/zinc/23/86/77/194238677.db2.gz IDHSWRAXURQYND-CUBQBAPOSA-N 1 1 451.545 5.797 50 0 JKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C1CCCCC1 ZINC000003296939 194270780 /nfs/dbraw/zinc/27/07/80/194270780.db2.gz KMWGUZQTMAJMLF-UHFFFAOYSA-N 1 1 458.606 5.140 50 0 JKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003317865 194279387 /nfs/dbraw/zinc/27/93/87/194279387.db2.gz HLELGMGGZFAHET-GMAHTHKFSA-N 1 1 458.911 6.706 50 0 JKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003317866 194279512 /nfs/dbraw/zinc/27/95/12/194279512.db2.gz HLELGMGGZFAHET-JTHBVZDNSA-N 1 1 458.911 6.706 50 0 JKAAMO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000003665682 194356509 /nfs/dbraw/zinc/35/65/09/194356509.db2.gz QYSXPJBZPDXXLF-QGZVFWFLSA-N 1 1 450.048 5.571 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccccc1)Cc1ccccc1 ZINC000009288373 194663468 /nfs/dbraw/zinc/66/34/68/194663468.db2.gz JNVJHXWTNRDRTO-UHFFFAOYSA-N 1 1 473.642 5.970 50 0 JKAAMO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406436 194746987 /nfs/dbraw/zinc/74/69/87/194746987.db2.gz RUDJHFALWDFSTP-KDURUIRLSA-N 1 1 476.646 5.322 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406633 194747153 /nfs/dbraw/zinc/74/71/53/194747153.db2.gz MRZYAWVJWSYLMZ-IBGZPJMESA-N 1 1 476.646 5.609 50 0 JKAAMO COc1ccc(Br)cc1CN1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009933426 195025209 /nfs/dbraw/zinc/02/52/09/195025209.db2.gz JTZSNASGUMSEQD-UHFFFAOYSA-N 1 1 493.489 6.167 50 0 JKAAMO CC(C)Oc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000012648722 195074933 /nfs/dbraw/zinc/07/49/33/195074933.db2.gz LVTUWNNXZKFVMV-UHFFFAOYSA-N 1 1 465.597 5.647 50 0 JKAAMO Cc1cc(Br)ccc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012635715 195067451 /nfs/dbraw/zinc/06/74/51/195067451.db2.gz AYICANCAKUHPJV-UHFFFAOYSA-N 1 1 495.486 5.783 50 0 JKAAMO COc1ccc(-c2nc(C(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)cs2)cc1OC ZINC000012731393 195098750 /nfs/dbraw/zinc/09/87/50/195098750.db2.gz KQBNDHJYVIXCKM-GJZGRUSLSA-N 1 1 472.636 5.014 50 0 JKAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012753421 195107390 /nfs/dbraw/zinc/10/73/90/195107390.db2.gz XJUFQXPOQZSGTB-CQSZACIVSA-N 1 1 453.892 5.037 50 0 JKAAMO C[NH+](C)[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1Cl ZINC000012801585 195139556 /nfs/dbraw/zinc/13/95/56/195139556.db2.gz WEZPFTRPNMHLNG-RPWUZVMVSA-N 1 1 484.427 5.274 50 0 JKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000012854944 195157047 /nfs/dbraw/zinc/15/70/47/195157047.db2.gz DBSWFVZGIIXZEP-UHFFFAOYSA-N 1 1 472.814 5.650 50 0 JKAAMO CC[C@@H](c1nnc(Sc2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)o1)[NH+](C)C ZINC000012888498 195171667 /nfs/dbraw/zinc/17/16/67/195171667.db2.gz BNHRLRSBNFMVEZ-JJJPLKNQSA-N 1 1 477.659 6.287 50 0 JKAAMO CCCC[N@@H+](C)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732199 195210955 /nfs/dbraw/zinc/21/09/55/195210955.db2.gz KCEFHLXIXUPNRJ-XHLNEMQHSA-N 1 1 497.639 5.423 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000020737407 195213664 /nfs/dbraw/zinc/21/36/64/195213664.db2.gz JLQKEALKFLRFTM-XGDNCFSYSA-N 1 1 477.674 5.935 50 0 JKAAMO O=C(CC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766766 195222142 /nfs/dbraw/zinc/22/21/42/195222142.db2.gz FXNXERVKTGHSOQ-UHFFFAOYSA-N 1 1 465.519 5.422 50 0 JKAAMO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020909553 195245983 /nfs/dbraw/zinc/24/59/83/195245983.db2.gz VKWFLGAMXPDERA-QHCPKHFHSA-N 1 1 488.591 6.000 50 0 JKAAMO CCOc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868337 195235127 /nfs/dbraw/zinc/23/51/27/195235127.db2.gz YOXRGBIAAPIYCD-RRPNLBNLSA-N 1 1 451.994 5.091 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc4cccc(OC)c4o3)c2-c2nc3ccccc3s2)C1 ZINC000020885925 195236444 /nfs/dbraw/zinc/23/64/44/195236444.db2.gz VSQHNNSSBRIJOY-UHFFFAOYSA-N 1 1 489.622 6.410 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc4cccc(OC)c4o3)c2-c2nc3ccccc3s2)C1 ZINC000020885925 195236447 /nfs/dbraw/zinc/23/64/47/195236447.db2.gz VSQHNNSSBRIJOY-UHFFFAOYSA-N 1 1 489.622 6.410 50 0 JKAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996918 195264800 /nfs/dbraw/zinc/26/48/00/195264800.db2.gz YWYAWGDLZBVAFA-JOCHJYFZSA-N 1 1 468.576 6.041 50 0 JKAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159771 195286593 /nfs/dbraw/zinc/28/65/93/195286593.db2.gz PBSIHOQVSXAGPU-UHFFFAOYSA-N 1 1 489.708 5.156 50 0 JKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000021796636 195322509 /nfs/dbraw/zinc/32/25/09/195322509.db2.gz FWIAGWJFXALTQO-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805942 195323689 /nfs/dbraw/zinc/32/36/89/195323689.db2.gz NSZYBIBIWXEAGB-HHHXNRCGSA-N 1 1 481.987 6.682 50 0 JKAAMO CC(C)[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915483 195332002 /nfs/dbraw/zinc/33/20/02/195332002.db2.gz WYKSJZAIWVCAQP-UHFFFAOYSA-N 1 1 484.644 5.164 50 0 JKAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915493 195332068 /nfs/dbraw/zinc/33/20/68/195332068.db2.gz RSVDXUBXXIFWEV-HSZRJFAPSA-N 1 1 496.655 5.084 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916054 195332371 /nfs/dbraw/zinc/33/23/71/195332371.db2.gz PIOLVHCWQGJORN-VWLOTQADSA-N 1 1 462.638 5.446 50 0 JKAAMO Fc1ccccc1N1CC[NH+](CCNc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000021933172 195335461 /nfs/dbraw/zinc/33/54/61/195335461.db2.gz OUWXLEKZKHDQKD-UHFFFAOYSA-N 1 1 468.001 5.385 50 0 JKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C[C@@H]2C)c1 ZINC000021934842 195335793 /nfs/dbraw/zinc/33/57/93/195335793.db2.gz YJDJMRALABLPBK-DEOSSOPVSA-N 1 1 493.655 5.244 50 0 JKAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[N@@H+](CCc3ccccc3)Cc3ccco3)c2c1 ZINC000021934855 195336282 /nfs/dbraw/zinc/33/62/82/195336282.db2.gz XKGBDAALVGICJU-UHFFFAOYSA-N 1 1 490.607 5.673 50 0 JKAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C2)cc1 ZINC000021934846 195336316 /nfs/dbraw/zinc/33/63/16/195336316.db2.gz NMIFKSKAGQEEOI-QHCPKHFHSA-N 1 1 450.586 5.166 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000058135243 195365342 /nfs/dbraw/zinc/36/53/42/195365342.db2.gz MFIKCRZRPMGFFG-OAHLLOKOSA-N 1 1 472.372 5.544 50 0 JKAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058217490 195374135 /nfs/dbraw/zinc/37/41/35/195374135.db2.gz ZNVUTVRNULXHGN-CQSZACIVSA-N 1 1 470.455 5.141 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)cc1 ZINC000058224262 195374409 /nfs/dbraw/zinc/37/44/09/195374409.db2.gz ILIWEGQJDPPFII-KRWDZBQOSA-N 1 1 473.499 5.098 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)cc1 ZINC000058224262 195374412 /nfs/dbraw/zinc/37/44/12/195374412.db2.gz ILIWEGQJDPPFII-KRWDZBQOSA-N 1 1 473.499 5.098 50 0 JKAAMO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000059057852 195387082 /nfs/dbraw/zinc/38/70/82/195387082.db2.gz LZDVQSGVOZIZBP-KDURUIRLSA-N 1 1 464.635 5.078 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247512 130002027 /nfs/dbraw/zinc/00/20/27/130002027.db2.gz AVHQZHQVZOMFAL-DQEYMECFSA-N 1 1 495.038 5.761 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247514 130002474 /nfs/dbraw/zinc/00/24/74/130002474.db2.gz AVHQZHQVZOMFAL-LOSJGSFVSA-N 1 1 495.038 5.761 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2OC)CC1 ZINC000096275449 130011786 /nfs/dbraw/zinc/01/17/86/130011786.db2.gz HIKUVHVOXCLJOB-HHHXNRCGSA-N 1 1 481.640 5.384 50 0 JKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCC5)CC4)n3c2)c1 ZINC000096287430 130030697 /nfs/dbraw/zinc/03/06/97/130030697.db2.gz XISHPQQMFQCSQT-UHFFFAOYSA-N 1 1 478.640 5.729 50 0 JKAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1 ZINC000096288083 130031620 /nfs/dbraw/zinc/03/16/20/130031620.db2.gz LAAYNDLOTNYECS-NRFANRHFSA-N 1 1 459.421 5.049 50 0 JKAAMO CC(=O)N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccc(Cl)cc4C)cn32)CC1 ZINC000096288332 130031898 /nfs/dbraw/zinc/03/18/98/130031898.db2.gz CUVLMTLSOKDJBQ-UHFFFAOYSA-N 1 1 493.438 5.948 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000096292482 130045154 /nfs/dbraw/zinc/04/51/54/130045154.db2.gz WBYRTISVIDWETI-QGZVFWFLSA-N 1 1 498.376 6.180 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146002 518878197 /nfs/dbraw/zinc/87/81/97/518878197.db2.gz MHCBUJYEERBCBT-YADHBBJMSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146083 518878332 /nfs/dbraw/zinc/87/83/32/518878332.db2.gz KBTBSKVYDLDWMJ-UXHICEINSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146148 518878765 /nfs/dbraw/zinc/87/87/65/518878765.db2.gz CNSZBAYEQWELNK-YADHBBJMSA-N 1 1 482.518 5.016 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146375 518879208 /nfs/dbraw/zinc/87/92/08/518879208.db2.gz SWNZNXGTFRGEGF-PMACEKPBSA-N 1 1 483.411 5.304 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036306630 519717774 /nfs/dbraw/zinc/71/77/74/519717774.db2.gz YCNZLQDTXWZJBI-QFIPXVFZSA-N 1 1 469.601 5.262 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203065 519718247 /nfs/dbraw/zinc/71/82/47/519718247.db2.gz WLBFNSAIXVJSOE-UHFFFAOYSA-N 1 1 479.542 6.639 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146081 519755693 /nfs/dbraw/zinc/75/56/93/519755693.db2.gz UKEDXPVJNPBQBJ-SFTDATJTSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146001 519755882 /nfs/dbraw/zinc/75/58/82/519755882.db2.gz OYUIYUCASGMLEV-GOTSBHOMSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305219 519755986 /nfs/dbraw/zinc/75/59/86/519755986.db2.gz WGQFYZYJBSUQGI-DEOSSOPVSA-N 1 1 498.067 5.778 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146363 519755991 /nfs/dbraw/zinc/75/59/91/519755991.db2.gz HBDFLVXGXYSYGM-PMACEKPBSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146363 519755992 /nfs/dbraw/zinc/75/59/92/519755992.db2.gz HBDFLVXGXYSYGM-PMACEKPBSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145998 519757354 /nfs/dbraw/zinc/75/73/54/519757354.db2.gz OYUIYUCASGMLEV-PKTZIBPZSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307567 519757374 /nfs/dbraw/zinc/75/73/74/519757374.db2.gz PMFUNXPCHRJACX-HSZRJFAPSA-N 1 1 469.601 5.262 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305215 519757735 /nfs/dbraw/zinc/75/77/35/519757735.db2.gz WGQFYZYJBSUQGI-XMMPIXPASA-N 1 1 498.067 5.778 50 0 JKAAMO 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C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Br)CC[N@H+](C)C3 ZINC000033265614 525731059 /nfs/dbraw/zinc/73/10/59/525731059.db2.gz ZRACUTJZZHTZKZ-CQSZACIVSA-N 1 1 471.424 5.398 50 0 JKAAMO C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Br)CC[N@@H+](C)C3 ZINC000033265614 525731071 /nfs/dbraw/zinc/73/10/71/525731071.db2.gz ZRACUTJZZHTZKZ-CQSZACIVSA-N 1 1 471.424 5.398 50 0 JKAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012461954 525731960 /nfs/dbraw/zinc/73/19/60/525731960.db2.gz CEBFMSUINKFTEF-WIYYLYMNSA-N 1 1 472.511 5.145 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4cccc(C)c4)ccc3[nH+]2)cc1 ZINC000033292793 525733334 /nfs/dbraw/zinc/73/33/34/525733334.db2.gz FGDWHAIEYPASCE-UHFFFAOYSA-N 1 1 452.558 5.999 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4cc(F)ccc4F)ccc3[nH+]2)cc1 ZINC000033292803 525733801 /nfs/dbraw/zinc/73/38/01/525733801.db2.gz IIPFDFTUQAWPSM-UHFFFAOYSA-N 1 1 474.511 5.969 50 0 JKAAMO 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Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cc(C)ccc2C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456443 525821846 /nfs/dbraw/zinc/82/18/46/525821846.db2.gz SERLQMXRPMAXOE-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000014881803 526143659 /nfs/dbraw/zinc/14/36/59/526143659.db2.gz IWWMJGYSWWVUET-FQEVSTJZSA-N 1 1 498.652 5.904 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305278 526241174 /nfs/dbraw/zinc/24/11/74/526241174.db2.gz MKURSARHIJJIKW-DEOSSOPVSA-N 1 1 495.664 5.380 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156224 526285672 /nfs/dbraw/zinc/28/56/72/526285672.db2.gz BHXBPVFZFXHRFJ-VWLOTQADSA-N 1 1 487.600 5.115 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156224 526285675 /nfs/dbraw/zinc/28/56/75/526285675.db2.gz BHXBPVFZFXHRFJ-VWLOTQADSA-N 1 1 487.600 5.115 50 0 JKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146555 526285687 /nfs/dbraw/zinc/28/56/87/526285687.db2.gz JFRHLXCIJCHXCV-LADGPHEKSA-N 1 1 489.399 5.159 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146031 526286022 /nfs/dbraw/zinc/28/60/22/526286022.db2.gz QHQGHJBLSFZOGI-ZEQRLZLVSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146592 526287228 /nfs/dbraw/zinc/28/72/28/526287228.db2.gz DVHMFWPEHCPBRK-UNMCSNQZSA-N 1 1 489.399 5.159 50 0 JKAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146321 526296873 /nfs/dbraw/zinc/29/68/73/526296873.db2.gz PBULCHJEXISDOL-RPBOFIJWSA-N 1 1 452.957 5.078 50 0 JKAAMO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1ccc(Oc3ncccn3)cc1)CCO2)c1c(F)cccc1Cl ZINC000012454598 526300080 /nfs/dbraw/zinc/30/00/80/526300080.db2.gz ATLFTFWZLGFBSV-AREMUKBSSA-N 1 1 491.950 5.538 50 0 JKAAMO O[C@H](c1ccc2c(c1)C[N@H+](Cc1ccc(Oc3ncccn3)cc1)CCO2)c1c(F)cccc1Cl ZINC000012454598 526300086 /nfs/dbraw/zinc/30/00/86/526300086.db2.gz ATLFTFWZLGFBSV-AREMUKBSSA-N 1 1 491.950 5.538 50 0 JKAAMO O=C(NCCc1ccccc1)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000033292740 526424323 /nfs/dbraw/zinc/42/43/23/526424323.db2.gz LDFMBPPFTHFOPI-UHFFFAOYSA-N 1 1 452.558 5.103 50 0 JKAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCCC[C@@H]1c1cccnc1 ZINC000014992037 526496648 /nfs/dbraw/zinc/49/66/48/526496648.db2.gz WSNTXTHLXWKACR-XNMGPUDCSA-N 1 1 459.565 5.300 50 0 JKAAMO O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522539 526588209 /nfs/dbraw/zinc/58/82/09/526588209.db2.gz WWUQSQOKLQQXKV-UHFFFAOYSA-N 1 1 486.413 5.622 50 0 JKAAMO O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044838756 526589832 /nfs/dbraw/zinc/58/98/32/526589832.db2.gz DFIHOXGAPBUPEQ-UHFFFAOYSA-N 1 1 472.592 5.777 50 0 JKAAMO 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Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036303753 527549365 /nfs/dbraw/zinc/54/93/65/527549365.db2.gz XKVMSXRTZHZWSW-XMMPIXPASA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036308664 527550083 /nfs/dbraw/zinc/55/00/83/527550083.db2.gz BILJLIQVKHDTIA-RUZDIDTESA-N 1 1 463.622 5.219 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036304803 527550190 /nfs/dbraw/zinc/55/01/90/527550190.db2.gz AKJPTOSBRSKDCG-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036304803 527550197 /nfs/dbraw/zinc/55/01/97/527550197.db2.gz AKJPTOSBRSKDCG-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036304765 527550632 /nfs/dbraw/zinc/55/06/32/527550632.db2.gz FSANNWXHHGMJLU-DEOSSOPVSA-N 1 1 465.638 5.668 50 0 JKAAMO 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CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)C(C)(C)C)CC1 ZINC000096278301 535619424 /nfs/dbraw/zinc/61/94/24/535619424.db2.gz WNJJCMLSDZSKAM-AREMUKBSSA-N 1 1 461.650 5.382 50 0 JKAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000096247535 537037869 /nfs/dbraw/zinc/03/78/69/537037869.db2.gz OSKHREIGMMQWBW-LOSJGSFVSA-N 1 1 495.038 5.761 50 0 JKAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000000638014 553722149 /nfs/dbraw/zinc/72/21/49/553722149.db2.gz KGSBSEOZVAQGOR-BJKOFHAPSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000651515 553732952 /nfs/dbraw/zinc/73/29/52/553732952.db2.gz PUFVDCJAVAZKSL-BJKOFHAPSA-N 1 1 460.896 5.292 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000651513 553732957 /nfs/dbraw/zinc/73/29/57/553732957.db2.gz PUFVDCJAVAZKSL-ZEQRLZLVSA-N 1 1 460.896 5.292 50 0 JKAAMO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[N@H+](C)Cc4ccccc4)ccc3c2=O)c1 ZINC000001810998 553992308 /nfs/dbraw/zinc/99/23/08/553992308.db2.gz WSVWAQVQGFAFDK-QFIPXVFZSA-N 1 1 459.542 5.074 50 0 JKAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002061083 554017116 /nfs/dbraw/zinc/01/71/16/554017116.db2.gz TYMUUWSYBHKOKX-ZEQRLZLVSA-N 1 1 461.352 6.106 50 0 JKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@@H]1C ZINC000002192333 554087425 /nfs/dbraw/zinc/08/74/25/554087425.db2.gz BJDDTLCRMPWATN-KRWDZBQOSA-N 1 1 485.422 5.953 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002240656 554109702 /nfs/dbraw/zinc/10/97/02/554109702.db2.gz IQBYYSGMAOOFAK-BJKOFHAPSA-N 1 1 477.351 5.806 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000002246153 554111332 /nfs/dbraw/zinc/11/13/32/554111332.db2.gz RRSNSRLPLYTGPP-LOSJGSFVSA-N 1 1 490.922 5.301 50 0 JKAAMO CC[NH+](CC)c1ccc(-n2c(N)c(C(=O)NCc3ccccc3Cl)c3nc4ccccc4nc32)cc1 ZINC000002246683 554111913 /nfs/dbraw/zinc/11/19/13/554111913.db2.gz LXOUURWFXJHGBV-UHFFFAOYSA-N 1 1 499.018 5.586 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002249413 554113464 /nfs/dbraw/zinc/11/34/64/554113464.db2.gz ZLXLTACIJXDJME-DQEYMECFSA-N 1 1 456.933 5.461 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000002251692 554115535 /nfs/dbraw/zinc/11/55/35/554115535.db2.gz OJPCBUHGLUNVTM-FTJBHMTQSA-N 1 1 486.959 5.470 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000002251694 554115712 /nfs/dbraw/zinc/11/57/12/554115712.db2.gz OJPCBUHGLUNVTM-CLJLJLNGSA-N 1 1 486.959 5.470 50 0 JKAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000002254956 554117994 /nfs/dbraw/zinc/11/79/94/554117994.db2.gz NEGJPVXFOOJDTG-SFTDATJTSA-N 1 1 463.360 5.315 50 0 JKAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002254953 554118012 /nfs/dbraw/zinc/11/80/12/554118012.db2.gz NEGJPVXFOOJDTG-NHCUHLMSSA-N 1 1 463.360 5.315 50 0 JKAAMO c1coc(Cn2c3nc[nH+]c(NCc4ccccc4)c3c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000002255934 554118616 /nfs/dbraw/zinc/11/86/16/554118616.db2.gz YDIUGNOJIIQKTL-UHFFFAOYSA-N 1 1 456.549 7.019 50 0 JKAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002256177 554118914 /nfs/dbraw/zinc/11/89/14/554118914.db2.gz INDOVYBQIKSWLO-ZEQRLZLVSA-N 1 1 471.358 5.562 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002256596 554119149 /nfs/dbraw/zinc/11/91/49/554119149.db2.gz IEKVKCRIOBJQTI-ZEQRLZLVSA-N 1 1 460.896 5.292 50 0 JKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002256862 554119434 /nfs/dbraw/zinc/11/94/34/554119434.db2.gz IBRHTLLRVRHAGH-RPWUZVMVSA-N 1 1 471.358 5.562 50 0 JKAAMO COC(=O)CN1C(c2ccc(OC)cc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002259772 554121253 /nfs/dbraw/zinc/12/12/53/554121253.db2.gz JOJDBRNVGHEWQJ-HSZRJFAPSA-N 1 1 465.347 5.114 50 0 JKAAMO Cc1ccc(Cl)cc1Nc1nc(Nc2cc(Cl)ccc2C)nc(N2CC[NH+](C)CC2)n1 ZINC000002322357 554147840 /nfs/dbraw/zinc/14/78/40/554147840.db2.gz BGPRMQRDXGWEAR-UHFFFAOYSA-N 1 1 458.397 5.034 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000002343108 554156927 /nfs/dbraw/zinc/15/69/27/554156927.db2.gz QGNBTDUYXMNLRA-HXUWFJFHSA-N 1 1 488.396 5.116 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000002343108 554156929 /nfs/dbraw/zinc/15/69/29/554156929.db2.gz QGNBTDUYXMNLRA-HXUWFJFHSA-N 1 1 488.396 5.116 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000002343112 554156970 /nfs/dbraw/zinc/15/69/70/554156970.db2.gz QGNBTDUYXMNLRA-FQEVSTJZSA-N 1 1 488.396 5.116 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000002343112 554156972 /nfs/dbraw/zinc/15/69/72/554156972.db2.gz QGNBTDUYXMNLRA-FQEVSTJZSA-N 1 1 488.396 5.116 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002344201 554157860 /nfs/dbraw/zinc/15/78/60/554157860.db2.gz ZIDCZFBBNHQJJV-BJKOFHAPSA-N 1 1 493.419 6.520 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002344205 554157875 /nfs/dbraw/zinc/15/78/75/554157875.db2.gz ZIDCZFBBNHQJJV-DNQXCXABSA-N 1 1 493.419 6.520 50 0 JKAAMO c1ccc(-c2nc3c4ccccc4oc3c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000002411426 554192316 /nfs/dbraw/zinc/19/23/16/554192316.db2.gz VETHJUDFINBDGF-UHFFFAOYSA-N 1 1 464.525 5.094 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000002419628 554197540 /nfs/dbraw/zinc/19/75/40/554197540.db2.gz JUGCJWPTBXNLDX-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000002419627 554197561 /nfs/dbraw/zinc/19/75/61/554197561.db2.gz JUGCJWPTBXNLDX-DQEYMECFSA-N 1 1 472.932 5.161 50 0 JKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000002427368 554202332 /nfs/dbraw/zinc/20/23/32/554202332.db2.gz OOVJLDBCCMSDSC-PKTZIBPZSA-N 1 1 475.321 5.392 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000002429910 554204260 /nfs/dbraw/zinc/20/42/60/554204260.db2.gz UMUZRTRMHNZDNO-UIOOFZCWSA-N 1 1 486.959 5.470 50 0 JKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002662625 554275839 /nfs/dbraw/zinc/27/58/39/554275839.db2.gz WHCOYLDMFNXXJM-OAQYLSRUSA-N 1 1 462.855 5.557 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2ccccc2Cl)CC1 ZINC000002700652 554294030 /nfs/dbraw/zinc/29/40/30/554294030.db2.gz WZRZFGMAILUCHK-QHCPKHFHSA-N 1 1 475.054 5.603 50 0 JKAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000002714171 554299492 /nfs/dbraw/zinc/29/94/92/554299492.db2.gz HSUABKKUDBTEBZ-IRXDYDNUSA-N 1 1 452.480 5.720 50 0 JKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)C[C@@H]2C)cc1 ZINC000002714061 554299552 /nfs/dbraw/zinc/29/95/52/554299552.db2.gz DZHUSJGOSHAEPM-QHCPKHFHSA-N 1 1 459.597 6.111 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000002714389 554299955 /nfs/dbraw/zinc/29/99/55/554299955.db2.gz KSYOVSKXLRWICH-UHFFFAOYSA-N 1 1 463.560 5.862 50 0 JKAAMO Fc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000002714479 554300052 /nfs/dbraw/zinc/30/00/52/554300052.db2.gz JECSDBTZTLABEP-UHFFFAOYSA-N 1 1 483.978 6.207 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000002715161 554300699 /nfs/dbraw/zinc/30/06/99/554300699.db2.gz JLAYPVNHBKXMMV-UHFFFAOYSA-N 1 1 479.559 5.562 50 0 JKAAMO Fc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002715051 554300727 /nfs/dbraw/zinc/30/07/27/554300727.db2.gz ZYRLJRWWJHSGLK-UHFFFAOYSA-N 1 1 473.349 6.601 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)c1 ZINC000002714961 554300744 /nfs/dbraw/zinc/30/07/44/554300744.db2.gz KZYRNNAWTSGXCT-UHFFFAOYSA-N 1 1 480.015 6.376 50 0 JKAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002734917 554318819 /nfs/dbraw/zinc/31/88/19/554318819.db2.gz PPWMVZLWOMZRIF-HSZRJFAPSA-N 1 1 455.440 5.142 50 0 JKAAMO CCn1c2ccccc2c2cc(CN3CCC([NH+]4CCN(c5ccccc5)CC4)CC3)ccc21 ZINC000002786813 554344846 /nfs/dbraw/zinc/34/48/46/554344846.db2.gz USVFPHMRRCCBGW-UHFFFAOYSA-N 1 1 452.646 5.601 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2cccc(F)c2)CC1 ZINC000008763550 554663882 /nfs/dbraw/zinc/66/38/82/554663882.db2.gz PGNMAYRAIUWYRK-RUZDIDTESA-N 1 1 494.632 6.121 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000008813072 554695092 /nfs/dbraw/zinc/69/50/92/554695092.db2.gz NZVGQOZXAOXFSQ-UHFFFAOYSA-N 1 1 495.667 6.723 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000008856547 554752436 /nfs/dbraw/zinc/75/24/36/554752436.db2.gz VIXAARUGCWVACW-DHLKQENFSA-N 1 1 468.626 5.261 50 0 JKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000008856660 554752854 /nfs/dbraw/zinc/75/28/54/554752854.db2.gz LIPXMPPTCXDNPF-RUZDIDTESA-N 1 1 461.993 5.565 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911786 554800968 /nfs/dbraw/zinc/80/09/68/554800968.db2.gz IKYPQQYIGWTZIH-VWLOTQADSA-N 1 1 499.684 5.294 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911785 554800978 /nfs/dbraw/zinc/80/09/78/554800978.db2.gz IKYPQQYIGWTZIH-RUZDIDTESA-N 1 1 499.684 5.294 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)C1CCCCC1 ZINC000008912729 554803275 /nfs/dbraw/zinc/80/32/75/554803275.db2.gz WHOWLNFSHPZESD-FQEVSTJZSA-N 1 1 456.700 5.696 50 0 JKAAMO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008917523 554812592 /nfs/dbraw/zinc/81/25/92/554812592.db2.gz IDHKUXPOUZNTLL-OFVILXPXSA-N 1 1 454.526 5.077 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000008918711 554815498 /nfs/dbraw/zinc/81/54/98/554815498.db2.gz UWXXFEJOOAEHJO-NRFANRHFSA-N 1 1 495.733 6.439 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928049 554825699 /nfs/dbraw/zinc/82/56/99/554825699.db2.gz WGAHODUWFBDLAV-QFIPXVFZSA-N 1 1 453.995 5.787 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000008964508 554838448 /nfs/dbraw/zinc/83/84/48/554838448.db2.gz KIIPWXWTCHRTLY-NWVWQQAFSA-N 1 1 479.661 5.980 50 0 biogenic JKAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000008987143 554849686 /nfs/dbraw/zinc/84/96/86/554849686.db2.gz WWEQMKHAIVLBEG-SFTDATJTSA-N 1 1 469.585 5.832 50 0 JKAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000008987143 554849690 /nfs/dbraw/zinc/84/96/90/554849690.db2.gz WWEQMKHAIVLBEG-SFTDATJTSA-N 1 1 469.585 5.832 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000008987244 554849830 /nfs/dbraw/zinc/84/98/30/554849830.db2.gz RDNRMBZVGWSZRJ-GOSISDBHSA-N 1 1 463.603 5.128 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000008987244 554849833 /nfs/dbraw/zinc/84/98/33/554849833.db2.gz RDNRMBZVGWSZRJ-GOSISDBHSA-N 1 1 463.603 5.128 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000009033453 554867584 /nfs/dbraw/zinc/86/75/84/554867584.db2.gz NHOWDDFUHDJVCH-FDQGKXFDSA-N 1 1 498.676 5.156 50 0 biogenic JKAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000009033461 554867614 /nfs/dbraw/zinc/86/76/14/554867614.db2.gz DWGJOEKNMCQDLE-LESCRADOSA-N 1 1 454.225 5.047 50 0 biogenic JKAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000009033454 554867668 /nfs/dbraw/zinc/86/76/68/554867668.db2.gz NHOWDDFUHDJVCH-XCRHUMRWSA-N 1 1 498.676 5.156 50 0 biogenic JKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)cc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000009090462 554891456 /nfs/dbraw/zinc/89/14/56/554891456.db2.gz UFRONSXNRXRQQO-XIFFEERXSA-N 1 1 457.602 8.090 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccccc2Cl)o1)Cc1ccccc1 ZINC000009115554 554902426 /nfs/dbraw/zinc/90/24/26/554902426.db2.gz VXEHJYCBMCTJPA-MGBGTMOVSA-N 1 1 487.065 5.663 50 0 JKAAMO COc1ccccc1[C@H]1c2sc3c(c2CC[N@H+]1CC(=O)NCCC1=CCCCC1)CCCC3 ZINC000009115995 554902989 /nfs/dbraw/zinc/90/29/89/554902989.db2.gz MVKRVSKZYHFHSJ-MHZLTWQESA-N 1 1 464.675 5.590 50 0 JKAAMO COc1ccccc1[C@H]1c2sc3c(c2CC[N@@H+]1CC(=O)NCCC1=CCCCC1)CCCC3 ZINC000009115995 554902991 /nfs/dbraw/zinc/90/29/91/554902991.db2.gz MVKRVSKZYHFHSJ-MHZLTWQESA-N 1 1 464.675 5.590 50 0 JKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152939 554941722 /nfs/dbraw/zinc/94/17/22/554941722.db2.gz MEDGILIJWCPCID-UHFFFAOYSA-N 1 1 463.025 5.108 50 0 JKAAMO C[NH+]1CCN(c2nc(Nc3cccc4ccccc43)nc(Nc3cccc4ccccc43)n2)CC1 ZINC000009272422 555045068 /nfs/dbraw/zinc/04/50/68/555045068.db2.gz QJOOLTLPNUNVMY-UHFFFAOYSA-N 1 1 461.573 5.417 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)C1CCCCC1 ZINC000009288159 555061725 /nfs/dbraw/zinc/06/17/25/555061725.db2.gz VAVRPKFFQOACFS-UHFFFAOYSA-N 1 1 456.055 6.357 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288136 555061759 /nfs/dbraw/zinc/06/17/59/555061759.db2.gz CNJFIVFASYYKOT-UHFFFAOYSA-N 1 1 464.034 6.224 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+](C)Cc1ccccc1)c2Sc1ccccc1 ZINC000009288368 555062119 /nfs/dbraw/zinc/06/21/19/555062119.db2.gz BJVMDSAIGZVVFP-UHFFFAOYSA-N 1 1 459.615 5.580 50 0 JKAAMO CC[C@@H](C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289409 555063738 /nfs/dbraw/zinc/06/37/38/555063738.db2.gz QFAWCSXGAKQRFM-QHCPKHFHSA-N 1 1 490.673 5.288 50 0 JKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345146 555110605 /nfs/dbraw/zinc/11/06/05/555110605.db2.gz RFQWMOLZZXBTES-RPWUZVMVSA-N 1 1 458.974 5.866 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345916 555112175 /nfs/dbraw/zinc/11/21/75/555112175.db2.gz YRVWQWKRUAXJQE-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000009346221 555113028 /nfs/dbraw/zinc/11/30/28/555113028.db2.gz QNQSDXXYXGBZTC-RPBOFIJWSA-N 1 1 490.922 5.301 50 0 JKAAMO CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009346349 555113247 /nfs/dbraw/zinc/11/32/47/555113247.db2.gz PMBCFHZWFVFZTG-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccccc1 ZINC000009407752 555169481 /nfs/dbraw/zinc/16/94/81/555169481.db2.gz LNFIZZGMZSOOQC-UHFFFAOYSA-N 1 1 457.064 6.316 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433598 555203857 /nfs/dbraw/zinc/20/38/57/555203857.db2.gz GGFMFBIMQUCBSQ-CLJLJLNGSA-N 1 1 481.706 5.600 50 0 JKAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009461800 555230178 /nfs/dbraw/zinc/23/01/78/555230178.db2.gz OLAOPWAHZBAODJ-GOTSBHOMSA-N 1 1 475.321 5.392 50 0 JKAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009461802 555230233 /nfs/dbraw/zinc/23/02/33/555230233.db2.gz OLAOPWAHZBAODJ-PKTZIBPZSA-N 1 1 475.321 5.392 50 0 JKAAMO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000009461950 555230336 /nfs/dbraw/zinc/23/03/36/555230336.db2.gz QPGHMVXRZVMMBU-GOTSBHOMSA-N 1 1 475.321 5.392 50 0 JKAAMO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000009461947 555230358 /nfs/dbraw/zinc/23/03/58/555230358.db2.gz QPGHMVXRZVMMBU-PKTZIBPZSA-N 1 1 475.321 5.392 50 0 JKAAMO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000009466048 555241573 /nfs/dbraw/zinc/24/15/73/555241573.db2.gz SFQYBIMFPHOVIF-UHFFFAOYSA-N 1 1 493.866 5.322 50 0 JKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)ccc2Sc2ccc(C)cc21 ZINC000009490440 555265853 /nfs/dbraw/zinc/26/58/53/555265853.db2.gz CLEVJXOSBJOTEQ-QFIPXVFZSA-N 1 1 463.691 6.765 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000009531116 555325926 /nfs/dbraw/zinc/32/59/26/555325926.db2.gz RXPXOJNJBYBTMV-UHFFFAOYSA-N 1 1 489.623 6.040 50 0 JKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000009531175 555326055 /nfs/dbraw/zinc/32/60/55/555326055.db2.gz FSFADXHMLFUTDX-UHFFFAOYSA-N 1 1 491.570 5.756 50 0 JKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009531555 555326412 /nfs/dbraw/zinc/32/64/12/555326412.db2.gz XCJRCENFQHVMDO-UHFFFAOYSA-N 1 1 479.027 7.200 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](c3cccs3)c3c[nH]c4ccccc43)c2c1C ZINC000013138645 555335984 /nfs/dbraw/zinc/33/59/84/555335984.db2.gz IGDKOZFKJGACOA-NRFANRHFSA-N 1 1 487.698 6.691 50 0 JKAAMO O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013139694 555336742 /nfs/dbraw/zinc/33/67/42/555336742.db2.gz YNSGPTXJEDFDKF-UHFFFAOYSA-N 1 1 459.640 5.426 50 0 JKAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009546580 555342226 /nfs/dbraw/zinc/34/22/26/555342226.db2.gz JGADKEHTISWKSV-CUBQBAPOSA-N 1 1 474.648 7.364 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009546579 555342362 /nfs/dbraw/zinc/34/23/62/555342362.db2.gz JGADKEHTISWKSV-YWEHKCAJSA-N 1 1 474.648 7.364 50 0 JKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000013321208 555375686 /nfs/dbraw/zinc/37/56/86/555375686.db2.gz ASJNJFYRXFSYOM-UHFFFAOYSA-N 1 1 453.936 6.006 50 0 JKAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009582120 555389114 /nfs/dbraw/zinc/38/91/14/555389114.db2.gz NNWGWYDEBYUFKO-JOCHJYFZSA-N 1 1 477.630 5.001 50 0 JKAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009582120 555389118 /nfs/dbraw/zinc/38/91/18/555389118.db2.gz NNWGWYDEBYUFKO-JOCHJYFZSA-N 1 1 477.630 5.001 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1Cl ZINC000009582870 555389847 /nfs/dbraw/zinc/38/98/47/555389847.db2.gz DDNINIORSOAUDH-SANMLTNESA-N 1 1 492.019 5.444 50 0 JKAAMO O=C(/C(=C/c1cccs1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013398775 555395467 /nfs/dbraw/zinc/39/54/67/555395467.db2.gz UZHIMHQDPFSFLP-WEMUOSSPSA-N 1 1 464.634 6.223 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674066 555398800 /nfs/dbraw/zinc/39/88/00/555398800.db2.gz QVLYDJCCRVNDSE-OYRHEFFESA-N 1 1 476.665 5.096 50 0 JKAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013466445 555401947 /nfs/dbraw/zinc/40/19/47/555401947.db2.gz HNDVAWFXSOHWRY-UHFFFAOYSA-N 1 1 455.480 5.524 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589375 555402489 /nfs/dbraw/zinc/40/24/89/555402489.db2.gz PEEQUAQLXAENKB-OAQYLSRUSA-N 1 1 450.586 5.568 50 0 JKAAMO Cc1cccc(-c2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3nc2-c2cccc(C)c2)c1 ZINC000009589478 555402814 /nfs/dbraw/zinc/40/28/14/555402814.db2.gz HEOBCBFCAREUQT-HSZRJFAPSA-N 1 1 478.640 6.185 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)Cc1ccccc1 ZINC000009598068 555415803 /nfs/dbraw/zinc/41/58/03/555415803.db2.gz ZGVKFRXPGVLKMG-UHFFFAOYSA-N 1 1 492.088 7.039 50 0 JKAAMO C[N@@H+](CCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693765 555422912 /nfs/dbraw/zinc/42/29/12/555422912.db2.gz BMQGIUDSRRHKKK-UHFFFAOYSA-N 1 1 454.039 5.107 50 0 JKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009608159 555435022 /nfs/dbraw/zinc/43/50/22/555435022.db2.gz ZFJCSWSXBHNLHE-UHFFFAOYSA-N 1 1 462.572 6.686 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCC[N@H+]([C@H](C)CC)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608333 555435405 /nfs/dbraw/zinc/43/54/05/555435405.db2.gz MURFXZWJYJHFFG-OAQYLSRUSA-N 1 1 477.718 7.153 50 0 JKAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000009610269 555440322 /nfs/dbraw/zinc/44/03/22/555440322.db2.gz BADMWCCZYQIFGQ-DEOSSOPVSA-N 1 1 487.692 5.276 50 0 JKAAMO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511587 555483291 /nfs/dbraw/zinc/48/32/91/555483291.db2.gz QMYJRGWDZJUCJC-RXYILKCJSA-N 1 1 452.639 5.032 50 0 JKAAMO Cc1ccc(Nc2ncc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc32)cc1Cl ZINC000009776781 555495013 /nfs/dbraw/zinc/49/50/13/555495013.db2.gz TVVFOWLFMNOKAO-KDURUIRLSA-N 1 1 465.041 6.038 50 0 JKAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000019850707 555510810 /nfs/dbraw/zinc/51/08/10/555510810.db2.gz YUDGMHYLWYMZQW-UHFFFAOYSA-N 1 1 465.597 5.567 50 0 JKAAMO CCOC(=O)c1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000013573237 555511862 /nfs/dbraw/zinc/51/18/62/555511862.db2.gz WGUONRVNSOJLRI-IBGZPJMESA-N 1 1 459.681 5.246 50 0 JKAAMO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019853518 555512135 /nfs/dbraw/zinc/51/21/35/555512135.db2.gz UYTJBWVEUFBGCC-UHFFFAOYSA-N 1 1 455.549 5.809 50 0 JKAAMO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(O)c(OCc3ccccc3)c1)[N@@H+](C)CC2 ZINC000019877677 555524583 /nfs/dbraw/zinc/52/45/83/555524583.db2.gz MNZMAPURPHGCNO-NDEPHWFRSA-N 1 1 495.619 6.331 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1C ZINC000019880274 555525547 /nfs/dbraw/zinc/52/55/47/555525547.db2.gz UKHPKVCQCNDICS-HSZRJFAPSA-N 1 1 454.039 5.607 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1C ZINC000019880271 555525637 /nfs/dbraw/zinc/52/56/37/555525637.db2.gz UKHPKVCQCNDICS-QHCPKHFHSA-N 1 1 454.039 5.607 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000019880308 555525642 /nfs/dbraw/zinc/52/56/42/555525642.db2.gz LOZZMOMMUQKBDU-AREMUKBSSA-N 1 1 487.694 6.590 50 0 JKAAMO Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccco1)C[C@H](C(C)(C)C)CC2 ZINC000019908514 555536420 /nfs/dbraw/zinc/53/64/20/555536420.db2.gz HIDAQYGTXYPQHF-GOSISDBHSA-N 1 1 479.646 5.781 50 0 JKAAMO O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013641423 555547571 /nfs/dbraw/zinc/54/75/71/555547571.db2.gz HMFZQOOYBQYALQ-UHFFFAOYSA-N 1 1 480.593 5.576 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969973 555567192 /nfs/dbraw/zinc/56/71/92/555567192.db2.gz MPDDYXWAEMPUPC-OYRHEFFESA-N 1 1 467.057 5.906 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C1CCCCC1 ZINC000009969932 555567256 /nfs/dbraw/zinc/56/72/56/555567256.db2.gz MDLBTAJEVHLEJJ-HXUWFJFHSA-N 1 1 467.057 5.906 50 0 JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000009972271 555571597 /nfs/dbraw/zinc/57/15/97/555571597.db2.gz ISTQUAPICYMORV-DZGCQCFKSA-N 1 1 482.890 5.083 50 0 JKAAMO Cc1ccc(Nc2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)cc1C ZINC000020019066 555595396 /nfs/dbraw/zinc/59/53/96/555595396.db2.gz POZYZKBNQIDICP-UHFFFAOYSA-N 1 1 482.653 6.051 50 0 JKAAMO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020057995 555621501 /nfs/dbraw/zinc/62/15/01/555621501.db2.gz AZXGLTMPLAHQBQ-UHFFFAOYSA-N 1 1 451.035 5.562 50 0 biogenic,in-vitro JKAAMO CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000013810919 555626521 /nfs/dbraw/zinc/62/65/21/555626521.db2.gz KCCJSAGLOUWRRA-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)C[C@H]2C)c1 ZINC000013812776 555628833 /nfs/dbraw/zinc/62/88/33/555628833.db2.gz LNIBIXISPIIHMY-HSZRJFAPSA-N 1 1 459.597 6.111 50 0 JKAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000010213239 555646952 /nfs/dbraw/zinc/64/69/52/555646952.db2.gz OKQFYZAFCQDHLL-HHHXNRCGSA-N 1 1 455.602 5.399 50 0 JKAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](Cc1ccccc1)C3 ZINC000013940892 555652117 /nfs/dbraw/zinc/65/21/17/555652117.db2.gz ODZJEPAXGWKIGJ-UHFFFAOYSA-N 1 1 497.686 5.177 50 0 JKAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](Cc1ccccc1)C3 ZINC000013940892 555652119 /nfs/dbraw/zinc/65/21/19/555652119.db2.gz ODZJEPAXGWKIGJ-UHFFFAOYSA-N 1 1 497.686 5.177 50 0 JKAAMO C[C@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[N@@H+]1CCc2ccccc2C1 ZINC000020155231 555675257 /nfs/dbraw/zinc/67/52/57/555675257.db2.gz JUTBXAKLQRKHKY-OAQYLSRUSA-N 1 1 494.591 5.098 50 0 JKAAMO C[C@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[N@H+]1CCc2ccccc2C1 ZINC000020155231 555675259 /nfs/dbraw/zinc/67/52/59/555675259.db2.gz JUTBXAKLQRKHKY-OAQYLSRUSA-N 1 1 494.591 5.098 50 0 JKAAMO C[C@@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[N@@H+]1CCc2ccccc2C1 ZINC000020155233 555675281 /nfs/dbraw/zinc/67/52/81/555675281.db2.gz JUTBXAKLQRKHKY-NRFANRHFSA-N 1 1 494.591 5.098 50 0 JKAAMO C[C@@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[N@H+]1CCc2ccccc2C1 ZINC000020155233 555675284 /nfs/dbraw/zinc/67/52/84/555675284.db2.gz JUTBXAKLQRKHKY-NRFANRHFSA-N 1 1 494.591 5.098 50 0 JKAAMO CCOc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1OCC ZINC000020178281 555683747 /nfs/dbraw/zinc/68/37/47/555683747.db2.gz ANFGBIDVTGIOOF-VWLOTQADSA-N 1 1 477.992 6.109 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181193 555687993 /nfs/dbraw/zinc/68/79/93/555687993.db2.gz MYIWWTPHXVNFKQ-SLTFVWKPSA-N 1 1 481.637 5.076 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)Sc3ccccc32)C1 ZINC000020181397 555688630 /nfs/dbraw/zinc/68/86/30/555688630.db2.gz XMYICNOLINTOCE-GXDFBKAQSA-N 1 1 484.065 5.058 50 0 JKAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000020181649 555688787 /nfs/dbraw/zinc/68/87/87/555688787.db2.gz KDCUHRUWXNCTEV-CCUBOOHYSA-N 1 1 491.701 5.500 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)cc2)cc1 ZINC000014135174 555703041 /nfs/dbraw/zinc/70/30/41/555703041.db2.gz IKOBVRKHIFBMMG-AREMUKBSSA-N 1 1 489.572 5.466 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)cc2)cc1 ZINC000014135172 555703066 /nfs/dbraw/zinc/70/30/66/555703066.db2.gz IKOBVRKHIFBMMG-SANMLTNESA-N 1 1 489.572 5.466 50 0 JKAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc2)C[C@@H](C)O1 ZINC000020219041 555713172 /nfs/dbraw/zinc/71/31/72/555713172.db2.gz HFKAAUFNANBKDD-IAGOWNOFSA-N 1 1 456.011 5.249 50 0 JKAAMO O=C(/C=C/c1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020240068 555734819 /nfs/dbraw/zinc/73/48/19/555734819.db2.gz WVGUROOSFBVFCA-WYMLVPIESA-N 1 1 451.397 5.940 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000020240860 555736100 /nfs/dbraw/zinc/73/61/00/555736100.db2.gz DMHYDHSMSSMSFU-AUSIDOKSSA-N 1 1 466.025 5.653 50 0 JKAAMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241393 555736931 /nfs/dbraw/zinc/73/69/31/555736931.db2.gz BRZHXABSYVVAHO-SJUVIOCWSA-N 1 1 465.604 5.200 50 0 JKAAMO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)c(F)c4)CC3)ccc2o1 ZINC000020271029 555748957 /nfs/dbraw/zinc/74/89/57/555748957.db2.gz SQYOLCRGHGTNIQ-UHFFFAOYSA-N 1 1 492.522 5.456 50 0 JKAAMO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccccn3)nc12 ZINC000020295480 555763573 /nfs/dbraw/zinc/76/35/73/555763573.db2.gz PWJUMWFBCFZKNK-UHFFFAOYSA-N 1 1 456.977 5.217 50 0 JKAAMO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000020295483 555763590 /nfs/dbraw/zinc/76/35/90/555763590.db2.gz QIYTWYRDFRYMFY-UHFFFAOYSA-N 1 1 456.977 5.217 50 0 JKAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2Cl)CC1 ZINC000014273653 555774269 /nfs/dbraw/zinc/77/42/69/555774269.db2.gz ZDJUGBGVADEYDS-UHFFFAOYSA-N 1 1 458.787 5.260 50 0 JKAAMO O=C(c1ccc(OCCOc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347263 555779612 /nfs/dbraw/zinc/77/96/12/555779612.db2.gz GESBCXFWMYODML-UHFFFAOYSA-N 1 1 492.619 5.692 50 0 JKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3NC2=O)cc1 ZINC000020355146 555782783 /nfs/dbraw/zinc/78/27/83/555782783.db2.gz DZMSMBDVNAURAP-YZSQISJMSA-N 1 1 469.610 5.038 50 0 JKAAMO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1F ZINC000020532169 555800463 /nfs/dbraw/zinc/80/04/63/555800463.db2.gz ZGCZAXXBIJHCLO-JOCHJYFZSA-N 1 1 468.642 6.273 50 0 JKAAMO COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc(OC)c1 ZINC000020532173 555800542 /nfs/dbraw/zinc/80/05/42/555800542.db2.gz MNOBFYRPTLGTRT-QHCPKHFHSA-N 1 1 496.677 5.843 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000020532194 555800871 /nfs/dbraw/zinc/80/08/71/555800871.db2.gz BOQXNPXCWGTCRX-QHCPKHFHSA-N 1 1 464.679 6.524 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(OC)c2)C1 ZINC000020532186 555800935 /nfs/dbraw/zinc/80/09/35/555800935.db2.gz BLIJJXZCCXZTQF-QHCPKHFHSA-N 1 1 480.678 6.224 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532189 555801066 /nfs/dbraw/zinc/80/10/66/555801066.db2.gz UYFOAHUHBORALD-HSZRJFAPSA-N 1 1 499.124 7.178 50 0 JKAAMO CC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532222 555801245 /nfs/dbraw/zinc/80/12/45/555801245.db2.gz GOIGSODDLYIRCB-NRFANRHFSA-N 1 1 468.623 5.207 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532251 555801256 /nfs/dbraw/zinc/80/12/56/555801256.db2.gz MPHGGDSYMPATTP-ZFGQVMFLSA-N 1 1 452.668 5.246 50 0 JKAAMO CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532217 555801288 /nfs/dbraw/zinc/80/12/88/555801288.db2.gz NNYOCIVDPRSJKI-IBGZPJMESA-N 1 1 452.624 5.588 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532252 555801717 /nfs/dbraw/zinc/80/17/17/555801717.db2.gz MPHGGDSYMPATTP-BALBBAFXSA-N 1 1 452.668 5.246 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000020560127 555810657 /nfs/dbraw/zinc/81/06/57/555810657.db2.gz WLVQVOLSSGOIFB-UHFFFAOYSA-N 1 1 481.596 5.495 50 0 JKAAMO COc1cccc(C[C@@H](C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[N@@H+](C)Cc2ccccn2)c1 ZINC000011786202 555819326 /nfs/dbraw/zinc/81/93/26/555819326.db2.gz DXGMNDLXKWXKLT-MHZLTWQESA-N 1 1 496.026 5.478 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000011787098 555820979 /nfs/dbraw/zinc/82/09/79/555820979.db2.gz RBXLNBQDOMWAMJ-CYBMUJFWSA-N 1 1 475.973 5.360 50 0 JKAAMO Cc1ccccc1Cc1cc2c(n(Cc3ccccn3)c1=O)CC[N@H+](Cc1ccc(O)c(Cl)c1)C2 ZINC000014537335 555826774 /nfs/dbraw/zinc/82/67/74/555826774.db2.gz ZXCOHYPCGGKHRC-UHFFFAOYSA-N 1 1 486.015 5.108 50 0 JKAAMO Cc1ccccc1Cc1cc2c(n(Cc3ccccn3)c1=O)CC[N@@H+](Cc1ccc(O)c(Cl)c1)C2 ZINC000014537335 555826777 /nfs/dbraw/zinc/82/67/77/555826777.db2.gz ZXCOHYPCGGKHRC-UHFFFAOYSA-N 1 1 486.015 5.108 50 0 JKAAMO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3Cl)OCO4)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000011813595 555829082 /nfs/dbraw/zinc/82/90/82/555829082.db2.gz NLRFRPNWBHPZHV-UZLBHIALSA-N 1 1 480.914 5.101 50 0 JKAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Br)cc1 ZINC000020592291 555838634 /nfs/dbraw/zinc/83/86/34/555838634.db2.gz XZBYBOWERCLKQH-HOTGVXAUSA-N 1 1 486.410 5.008 50 0 JKAAMO COc1ccc(CN2C(=O)CC[C@@H]3C[N@H+](CCC4=C(C)CCCC4(C)C)CC[C@@H]32)cc1OC ZINC000014998984 555843340 /nfs/dbraw/zinc/84/33/40/555843340.db2.gz NGNGKNPMXQNOSU-VWNXMTODSA-N 1 1 454.655 5.433 50 0 JKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4noc(-c5ccc(C)cc5)c4c3)cc2Cl)CC1 ZINC000020854012 555848117 /nfs/dbraw/zinc/84/81/17/555848117.db2.gz BDDUOEJMBFFBQN-UHFFFAOYSA-N 1 1 474.992 5.851 50 0 JKAAMO CC1=C(CC[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)C(C)(C)CCC1 ZINC000015006419 555850890 /nfs/dbraw/zinc/85/08/90/555850890.db2.gz ZQGBEHCIKXMYOO-CVDCTZTESA-N 1 1 454.684 5.539 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021795528 555856362 /nfs/dbraw/zinc/85/63/62/555856362.db2.gz BPJLQHFIVKDABY-UHFFFAOYSA-N 1 1 470.499 6.182 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021795528 555856364 /nfs/dbraw/zinc/85/63/64/555856364.db2.gz BPJLQHFIVKDABY-UHFFFAOYSA-N 1 1 470.499 6.182 50 0 JKAAMO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1 ZINC000021796708 555856407 /nfs/dbraw/zinc/85/64/07/555856407.db2.gz KBFXXCYHIIRBQO-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912774 555861993 /nfs/dbraw/zinc/86/19/93/555861993.db2.gz RLYYDKBHIIGWAF-NDEPHWFRSA-N 1 1 495.623 5.292 50 0 JKAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000022015051 555862070 /nfs/dbraw/zinc/86/20/70/555862070.db2.gz WDAFFJUXFAEWCI-UHFFFAOYSA-N 1 1 454.876 5.471 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000011913777 555863720 /nfs/dbraw/zinc/86/37/20/555863720.db2.gz KQHSXMFXZNLTBA-RDPSFJRHSA-N 1 1 474.944 5.422 50 0 JKAAMO O=c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000022038284 555865482 /nfs/dbraw/zinc/86/54/82/555865482.db2.gz JJPWABDQAQSISS-UHFFFAOYSA-N 1 1 498.677 5.620 50 0 JKAAMO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000015064819 555866687 /nfs/dbraw/zinc/86/66/87/555866687.db2.gz JCRZLCCFVQFKFZ-UHFFFAOYSA-N 1 1 450.612 5.008 50 0 JKAAMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022075151 555870891 /nfs/dbraw/zinc/87/08/91/555870891.db2.gz JIYVGFLKGFXUFQ-UHFFFAOYSA-N 1 1 455.824 5.122 50 0 JKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC000012039374 555892395 /nfs/dbraw/zinc/89/23/95/555892395.db2.gz ZOHUZFPPBZBLRV-UHFFFAOYSA-N 1 1 490.694 6.207 50 0 JKAAMO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1 ZINC000012040029 555892607 /nfs/dbraw/zinc/89/26/07/555892607.db2.gz NOIGTJWBOACGCU-IBGZPJMESA-N 1 1 480.992 5.355 50 0 JKAAMO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)N(C)C(=O)c2ccco2)c1 ZINC000012051005 555896050 /nfs/dbraw/zinc/89/60/50/555896050.db2.gz VMQCRFIHZUVZAP-RUZDIDTESA-N 1 1 468.544 5.162 50 0 JKAAMO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc(F)cc3F)CC2)N(C)C(=O)c2ccco2)c1 ZINC000012051002 555896142 /nfs/dbraw/zinc/89/61/42/555896142.db2.gz VMQCRFIHZUVZAP-VWLOTQADSA-N 1 1 468.544 5.162 50 0 JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000015319753 555897596 /nfs/dbraw/zinc/89/75/96/555897596.db2.gz PMRMMWVUQKTXJX-JXFKEZNVSA-N 1 1 492.929 5.490 50 0 JKAAMO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)C[N@@H+]3Cc3ccc(C)cc3)ccc2s1 ZINC000012056572 555898892 /nfs/dbraw/zinc/89/88/92/555898892.db2.gz TUVORQYUWQHJLA-NOZRDPDXSA-N 1 1 491.657 6.426 50 0 JKAAMO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)C[N@H+]3Cc3ccc(C)cc3)ccc2s1 ZINC000012056572 555898894 /nfs/dbraw/zinc/89/88/94/555898894.db2.gz TUVORQYUWQHJLA-NOZRDPDXSA-N 1 1 491.657 6.426 50 0 JKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(O)c(Cl)c3)C2)cc1 ZINC000012058208 555899104 /nfs/dbraw/zinc/89/91/04/555899104.db2.gz RFLFASDGHWWOFX-FQEVSTJZSA-N 1 1 450.966 5.572 50 0 JKAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccsc2)C1 ZINC000012099502 555906700 /nfs/dbraw/zinc/90/67/00/555906700.db2.gz NENUIJRJMPPSHP-HXUWFJFHSA-N 1 1 492.641 5.413 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000015671212 555928080 /nfs/dbraw/zinc/92/80/80/555928080.db2.gz REFZFBIPRMSHIQ-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000015671212 555928083 /nfs/dbraw/zinc/92/80/83/555928083.db2.gz REFZFBIPRMSHIQ-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671348 555928164 /nfs/dbraw/zinc/92/81/64/555928164.db2.gz VPGCAPGPKXNZHE-UHFFFAOYSA-N 1 1 465.623 5.245 50 0 JKAAMO Cc1cccc(C[N@H+]2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c1 ZINC000012158947 555929490 /nfs/dbraw/zinc/92/94/90/555929490.db2.gz XVVCENCUYVBJQE-RPWUZVMVSA-N 1 1 488.682 5.394 50 0 JKAAMO Cc1cccc(C[N@@H+]2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c1 ZINC000012158947 555929493 /nfs/dbraw/zinc/92/94/93/555929493.db2.gz XVVCENCUYVBJQE-RPWUZVMVSA-N 1 1 488.682 5.394 50 0 JKAAMO Cc1ccccc1-c1cc2c(c(OC[C@@H]3CCOC3)c1)OCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000012211784 555943139 /nfs/dbraw/zinc/94/31/39/555943139.db2.gz FYEGXGHGWQNFEF-HSZRJFAPSA-N 1 1 480.608 6.020 50 0 JKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000015678429 555943712 /nfs/dbraw/zinc/94/37/12/555943712.db2.gz ICINIBZVEUDHME-UHFFFAOYSA-N 1 1 465.641 5.495 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccccc1Cl ZINC000012242951 555946146 /nfs/dbraw/zinc/94/61/46/555946146.db2.gz CDSBIUDMFPPPGC-AWEZNQCLSA-N 1 1 457.983 5.221 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1COc1ccccc1 ZINC000015682089 555951537 /nfs/dbraw/zinc/95/15/37/555951537.db2.gz MODSPHFOIHRFIA-OYRHEFFESA-N 1 1 461.606 5.327 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682149 555951579 /nfs/dbraw/zinc/95/15/79/555951579.db2.gz LPYHIFGGOMLLMU-UHFFFAOYSA-N 1 1 495.623 5.716 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)nc1CSc1ccccc1 ZINC000015682258 555951710 /nfs/dbraw/zinc/95/17/10/555951710.db2.gz JYNSCDDNPWBVRI-UHFFFAOYSA-N 1 1 497.664 6.121 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000012374999 555961757 /nfs/dbraw/zinc/96/17/57/555961757.db2.gz OFMRCMZEVATFDR-RHSMWYFYSA-N 1 1 480.968 5.167 50 0 JKAAMO COc1cc2c(cc1CN1CC[NH+](C/C=C/c3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000022918494 555972327 /nfs/dbraw/zinc/97/23/27/555972327.db2.gz BEVLXGDXETUUAG-FMIVXFBMSA-N 1 1 452.598 6.248 50 0 JKAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000022938241 555991432 /nfs/dbraw/zinc/99/14/32/555991432.db2.gz AMVKUBAHIDOCHT-QHCPKHFHSA-N 1 1 466.006 5.737 50 0 JKAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000022938227 555991440 /nfs/dbraw/zinc/99/14/40/555991440.db2.gz ZWUIVNPMBCMAGD-QHCPKHFHSA-N 1 1 466.006 5.737 50 0 JKAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000022938229 555991516 /nfs/dbraw/zinc/99/15/16/555991516.db2.gz ZWUIVNPMBCMAGD-HSZRJFAPSA-N 1 1 466.006 5.737 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1)c1cccs1 ZINC000022938239 555991523 /nfs/dbraw/zinc/99/15/23/555991523.db2.gz DDBZTYABZOZDAE-XMMPIXPASA-N 1 1 496.032 5.099 50 0 JKAAMO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938333 555991787 /nfs/dbraw/zinc/99/17/87/555991787.db2.gz UDJCJCBUTYUQNQ-MHZLTWQESA-N 1 1 485.653 6.052 50 0 JKAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000022938291 555991897 /nfs/dbraw/zinc/99/18/97/555991897.db2.gz RYCQELONYBVCLF-VWLOTQADSA-N 1 1 459.977 5.675 50 0 JKAAMO COc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1OCc1ccccc1 ZINC000022938814 555992171 /nfs/dbraw/zinc/99/21/71/555992171.db2.gz SKAWZVVNKKOLCY-UHFFFAOYSA-N 1 1 485.672 5.056 50 0 JKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(F)cc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524687 555993656 /nfs/dbraw/zinc/99/36/56/555993656.db2.gz RAHBFUYGIPXNKZ-XIFFEERXSA-N 1 1 461.565 7.921 50 0 JKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)c(C)c3)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524753 555993946 /nfs/dbraw/zinc/99/39/46/555993946.db2.gz DMAGTCZDTONWKH-DHUJRADRSA-N 1 1 485.656 8.789 50 0 JKAAMO COc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000023109507 556010266 /nfs/dbraw/zinc/01/02/66/556010266.db2.gz VRRCBHWUTCDGJN-UHFFFAOYSA-N 1 1 477.655 5.981 50 0 JKAAMO C[C@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182391 556028750 /nfs/dbraw/zinc/02/87/50/556028750.db2.gz LJUKHFNMUDXQPA-FDDCHVKYSA-N 1 1 454.640 5.126 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000023182426 556028754 /nfs/dbraw/zinc/02/87/54/556028754.db2.gz DBKTWQBLMJHZQA-NLFFAJNJSA-N 1 1 482.694 5.742 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182414 556028796 /nfs/dbraw/zinc/02/87/96/556028796.db2.gz FWTFCZVDZKIDBR-CYFREDJKSA-N 1 1 468.667 5.434 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182460 556028807 /nfs/dbraw/zinc/02/88/07/556028807.db2.gz JUPBSRPLIQMFOF-SBUREZEXSA-N 1 1 472.630 5.265 50 0 JKAAMO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccc(Br)cc2)CC1 ZINC000015859345 556029389 /nfs/dbraw/zinc/02/93/89/556029389.db2.gz WWXOTLVZFQEQIU-DEOSSOPVSA-N 1 1 493.401 6.862 50 0 JKAAMO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000023188101 556029795 /nfs/dbraw/zinc/02/97/95/556029795.db2.gz UWJPMQMUJNYJKV-UHFFFAOYSA-N 1 1 487.522 5.237 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(Br)c1)[NH+]1CCCCC1)c1cccs1 ZINC000015859433 556030106 /nfs/dbraw/zinc/03/01/06/556030106.db2.gz JEEHIBVJYTUORC-HSZRJFAPSA-N 1 1 495.442 7.084 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000015859780 556030977 /nfs/dbraw/zinc/03/09/77/556030977.db2.gz FDOWNRHHFHJNBL-HHHXNRCGSA-N 1 1 481.987 6.682 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000015859768 556031064 /nfs/dbraw/zinc/03/10/64/556031064.db2.gz KDYDEPYALPJKHU-RUZDIDTESA-N 1 1 453.571 6.090 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000015859776 556031122 /nfs/dbraw/zinc/03/11/22/556031122.db2.gz YJNBKANRZDGHEP-HHHXNRCGSA-N 1 1 481.987 6.682 50 0 JKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860490 556031760 /nfs/dbraw/zinc/03/17/60/556031760.db2.gz VUBHCIBBYPRBIL-QGZVFWFLSA-N 1 1 451.419 6.313 50 0 JKAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCc4c5c(sc4[C@@H]3c3ccccc3)CCCC5)c(C)o2)cc1 ZINC000015864827 556040475 /nfs/dbraw/zinc/04/04/75/556040475.db2.gz KGNQATHTKYPYRU-NDEPHWFRSA-N 1 1 484.665 7.137 50 0 JKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCc4c5c(sc4[C@@H]3c3ccccc3)CCCC5)c(C)o2)cc1 ZINC000015864827 556040480 /nfs/dbraw/zinc/04/04/80/556040480.db2.gz KGNQATHTKYPYRU-NDEPHWFRSA-N 1 1 484.665 7.137 50 0 JKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c(C)o1 ZINC000015864831 556040508 /nfs/dbraw/zinc/04/05/08/556040508.db2.gz CQDBGAMKGCDYII-MHZLTWQESA-N 1 1 470.638 6.747 50 0 JKAAMO COc1ccccc1-c1nc(C[N@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c(C)o1 ZINC000015864831 556040511 /nfs/dbraw/zinc/04/05/11/556040511.db2.gz CQDBGAMKGCDYII-MHZLTWQESA-N 1 1 470.638 6.747 50 0 JKAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCc4c5c(sc4[C@H]3c3ccccc3)CCCC5)c(C)o2)cc1 ZINC000015864828 556040540 /nfs/dbraw/zinc/04/05/40/556040540.db2.gz KGNQATHTKYPYRU-MUUNZHRXSA-N 1 1 484.665 7.137 50 0 JKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCc4c5c(sc4[C@H]3c3ccccc3)CCCC5)c(C)o2)cc1 ZINC000015864828 556040544 /nfs/dbraw/zinc/04/05/44/556040544.db2.gz KGNQATHTKYPYRU-MUUNZHRXSA-N 1 1 484.665 7.137 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(Br)cc1)[C@H]2c1ccccc1 ZINC000015864856 556040731 /nfs/dbraw/zinc/04/07/31/556040731.db2.gz UZCYIPJAOUHWPK-QHCPKHFHSA-N 1 1 469.448 5.968 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)[C@H]2c1ccccc1 ZINC000015864856 556040733 /nfs/dbraw/zinc/04/07/33/556040733.db2.gz UZCYIPJAOUHWPK-QHCPKHFHSA-N 1 1 469.448 5.968 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864879 556040755 /nfs/dbraw/zinc/04/07/55/556040755.db2.gz WVPIZLWGHPQIJI-MUUNZHRXSA-N 1 1 486.681 7.517 50 0 JKAAMO Cc1c(C(=O)C[N@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c2ccccc2n1C ZINC000015864840 556040806 /nfs/dbraw/zinc/04/08/06/556040806.db2.gz HFMHONRJQYQYBX-MUUNZHRXSA-N 1 1 454.639 6.257 50 0 JKAAMO CCOc1ccc2oc(=O)cc(C[N@H+]3CCc4c5c(sc4[C@H]3c3ccccc3)CCCC5)c2c1 ZINC000015864838 556040838 /nfs/dbraw/zinc/04/08/38/556040838.db2.gz UNHYTTNXBPFFMZ-MUUNZHRXSA-N 1 1 471.622 6.280 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864860 556040891 /nfs/dbraw/zinc/04/08/91/556040891.db2.gz SDPSDGFQEZEEIQ-SANMLTNESA-N 1 1 458.627 6.739 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335169 556044676 /nfs/dbraw/zinc/04/46/76/556044676.db2.gz VSIATDXMTAYWDI-SFHVURJKSA-N 1 1 470.539 5.757 50 0 JKAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335169 556044679 /nfs/dbraw/zinc/04/46/79/556044679.db2.gz VSIATDXMTAYWDI-SFHVURJKSA-N 1 1 470.539 5.757 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335169 556044682 /nfs/dbraw/zinc/04/46/82/556044682.db2.gz VSIATDXMTAYWDI-SFHVURJKSA-N 1 1 470.539 5.757 50 0 JKAAMO Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N1c3ccccc3N(Cc3ccccc3)C1=[NH+]2 ZINC000012557674 556045799 /nfs/dbraw/zinc/04/57/99/556045799.db2.gz ROPBMJOWROQWBL-UHFFFAOYSA-N 1 1 459.597 6.868 50 0 JKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023336230 556046237 /nfs/dbraw/zinc/04/62/37/556046237.db2.gz XAZJEZMLTAGIQI-IBGZPJMESA-N 1 1 460.622 5.091 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc12)CC1CC1 ZINC000023336811 556046846 /nfs/dbraw/zinc/04/68/46/556046846.db2.gz LUMJBECNNVPMDI-UHFFFAOYSA-N 1 1 478.080 6.936 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012559135 556049685 /nfs/dbraw/zinc/04/96/85/556049685.db2.gz PADOVPMRAHXREZ-IGKIAQTJSA-N 1 1 466.560 5.435 50 0 JKAAMO COc1ccc(-c2cccc(-c3nc(C[N@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c(OC)c1OC ZINC000023455504 556068394 /nfs/dbraw/zinc/06/83/94/556068394.db2.gz NJYKDENOKLUXMC-SIKLNZKXSA-N 1 1 478.658 6.515 50 0 JKAAMO O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012575150 556075042 /nfs/dbraw/zinc/07/50/42/556075042.db2.gz YGUSHNUUCJGBQJ-FVNHVHOESA-N 1 1 497.406 7.557 50 0 JKAAMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000015944523 556080913 /nfs/dbraw/zinc/08/09/13/556080913.db2.gz ONPSQLVYBKBEGZ-XMMPIXPASA-N 1 1 487.088 5.286 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000015944523 556080916 /nfs/dbraw/zinc/08/09/16/556080916.db2.gz ONPSQLVYBKBEGZ-XMMPIXPASA-N 1 1 487.088 5.286 50 0 JKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@H](C(C)(C)C)CC3)c(C)c1 ZINC000015946070 556082175 /nfs/dbraw/zinc/08/21/75/556082175.db2.gz IDTBLFRXYSGLMZ-OAQYLSRUSA-N 1 1 495.733 6.583 50 0 JKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@@H](C(C)(C)C)CC3)c(C)c1 ZINC000015946068 556082177 /nfs/dbraw/zinc/08/21/77/556082177.db2.gz IDTBLFRXYSGLMZ-NRFANRHFSA-N 1 1 495.733 6.583 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946379 556082827 /nfs/dbraw/zinc/08/28/27/556082827.db2.gz JFGVMHBIIWVOLQ-HXUWFJFHSA-N 1 1 462.402 6.510 50 0 JKAAMO C[C@H](c1nn(CN2CCC[C@@H](C(F)(F)F)C2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023841871 556090755 /nfs/dbraw/zinc/09/07/55/556090755.db2.gz PTEZGPDMXWTNOZ-QZTJIDSGSA-N 1 1 453.578 5.182 50 0 JKAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012603126 556090938 /nfs/dbraw/zinc/09/09/38/556090938.db2.gz HUWAMOWFEBIAQR-UHFFFAOYSA-N 1 1 499.618 5.482 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)sc2c1CCCC2 ZINC000012638627 556095724 /nfs/dbraw/zinc/09/57/24/556095724.db2.gz CWJAXQXXDQAPAF-KRWDZBQOSA-N 1 1 455.624 5.233 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000015981981 556100179 /nfs/dbraw/zinc/10/01/79/556100179.db2.gz IYTJUHDUNCFUMJ-NTKDMRAZSA-N 1 1 462.615 6.004 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000015981981 556100184 /nfs/dbraw/zinc/10/01/84/556100184.db2.gz IYTJUHDUNCFUMJ-NTKDMRAZSA-N 1 1 462.615 6.004 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016001966 556107355 /nfs/dbraw/zinc/10/73/55/556107355.db2.gz CEMSFMQVNAQHFL-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016001966 556107357 /nfs/dbraw/zinc/10/73/57/556107357.db2.gz CEMSFMQVNAQHFL-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000012759390 556109348 /nfs/dbraw/zinc/10/93/48/556109348.db2.gz RJBDUGHKPUNXMH-UHFFFAOYSA-N 1 1 455.989 6.647 50 0 JKAAMO Cc1ccc(-c2cnc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000012773441 556110503 /nfs/dbraw/zinc/11/05/03/556110503.db2.gz SUMJTMDYSQEOBX-UHFFFAOYSA-N 1 1 465.597 5.516 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccccc3)cc2)cc1 ZINC000012795642 556113578 /nfs/dbraw/zinc/11/35/78/556113578.db2.gz UIEGEGHYSXDXRP-AREMUKBSSA-N 1 1 471.582 5.327 50 0 JKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2Cl)CC1 ZINC000012843234 556116822 /nfs/dbraw/zinc/11/68/22/556116822.db2.gz BNTSJTMKIFQHDQ-UHFFFAOYSA-N 1 1 472.814 5.650 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000016041279 556121447 /nfs/dbraw/zinc/12/14/47/556121447.db2.gz VRSQERDXHFMAAL-RBDMOPTHSA-N 1 1 469.840 5.547 50 0 JKAAMO COc1ccc(C[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H](C)Cc2cccs2)cc1 ZINC000012921443 556140210 /nfs/dbraw/zinc/14/02/10/556140210.db2.gz KFSHSPYEWBVSES-INIZCTEOSA-N 1 1 472.994 5.211 50 0 JKAAMO COc1cccc(Cc2nsc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000016509365 556141867 /nfs/dbraw/zinc/14/18/67/556141867.db2.gz RORZQYSCBGDZGK-UHFFFAOYSA-N 1 1 456.615 5.049 50 0 JKAAMO CCOc1ccc(-n2c(C[NH2+][C@@H](CC)c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 ZINC000016694701 556153738 /nfs/dbraw/zinc/15/37/38/556153738.db2.gz IKZHWYHRZKMKSA-QHCPKHFHSA-N 1 1 492.417 5.788 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1OC ZINC000024984663 556169321 /nfs/dbraw/zinc/16/93/21/556169321.db2.gz GOXXNSYMZODYIK-PKTZIBPZSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1OC ZINC000024984663 556169323 /nfs/dbraw/zinc/16/93/23/556169323.db2.gz GOXXNSYMZODYIK-PKTZIBPZSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000025035401 556172822 /nfs/dbraw/zinc/17/28/22/556172822.db2.gz BHNNAPLHUVHZIM-OAHLLOKOSA-N 1 1 474.026 5.024 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916110 556180030 /nfs/dbraw/zinc/18/00/30/556180030.db2.gz KUUOSXILIQOANP-UHFFFAOYSA-N 1 1 465.669 6.134 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916110 556180033 /nfs/dbraw/zinc/18/00/33/556180033.db2.gz KUUOSXILIQOANP-UHFFFAOYSA-N 1 1 465.669 6.134 50 0 JKAAMO O=C(Nc1ccc2[nH]cc(CC[N@H+]3CCc4ccccc4C3)c2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000025145510 556184118 /nfs/dbraw/zinc/18/41/18/556184118.db2.gz SOXXQJUZEMLZAH-UHFFFAOYSA-N 1 1 485.456 5.717 50 0 JKAAMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025152431 556193444 /nfs/dbraw/zinc/19/34/44/556193444.db2.gz VKRHKYZFDOTLKT-OAQYLSRUSA-N 1 1 485.607 5.529 50 0 JKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)c(C)c1 ZINC000017025767 556205100 /nfs/dbraw/zinc/20/51/00/556205100.db2.gz PJEOIAJMWYZABS-UHFFFAOYSA-N 1 1 461.656 6.660 50 0 JKAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)n2)cc1 ZINC000017042698 556209446 /nfs/dbraw/zinc/20/94/46/556209446.db2.gz BYPVMYUHOAOIPU-UHFFFAOYSA-N 1 1 499.640 5.015 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017113403 556218386 /nfs/dbraw/zinc/21/83/86/556218386.db2.gz KYOFPCAYPULPNC-UHFFFAOYSA-N 1 1 490.679 6.653 50 0 JKAAMO CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000025560694 556221226 /nfs/dbraw/zinc/22/12/26/556221226.db2.gz PNTNMFDRXVFTKX-DQEYMECFSA-N 1 1 455.949 5.210 50 0 JKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000025575484 556222513 /nfs/dbraw/zinc/22/25/13/556222513.db2.gz NJYCIRZRZFXRHS-XZOQPEGZSA-N 1 1 481.770 6.451 50 0 JKAAMO C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CC[NH+](Cc5ccccc5F)CC4)c23)C1 ZINC000013030345 556225332 /nfs/dbraw/zinc/22/53/32/556225332.db2.gz ZKKWKEZXLIUWPJ-SFHVURJKSA-N 1 1 473.621 5.339 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000013031835 556229255 /nfs/dbraw/zinc/22/92/55/556229255.db2.gz BVJGPTDDQYYWMV-SANMLTNESA-N 1 1 461.583 5.636 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000013031835 556229259 /nfs/dbraw/zinc/22/92/59/556229259.db2.gz BVJGPTDDQYYWMV-SANMLTNESA-N 1 1 461.583 5.636 50 0 JKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000017179123 556234018 /nfs/dbraw/zinc/23/40/18/556234018.db2.gz HPJKELXJIOFHQW-UHFFFAOYSA-N 1 1 471.607 6.428 50 0 JKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000017179123 556234022 /nfs/dbraw/zinc/23/40/22/556234022.db2.gz HPJKELXJIOFHQW-UHFFFAOYSA-N 1 1 471.607 6.428 50 0 JKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783908 556235737 /nfs/dbraw/zinc/23/57/37/556235737.db2.gz NNPCGABVDIDHAE-ZEQRLZLVSA-N 1 1 458.974 5.866 50 0 JKAAMO CCc1cc(=O)oc2cc(Oc3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)ccc12 ZINC000013041852 556247723 /nfs/dbraw/zinc/24/77/23/556247723.db2.gz YQUBGQOKOJXFDG-UHFFFAOYSA-N 1 1 475.614 5.873 50 0 JKAAMO CC[NH+](CC)c1ccc(NC=C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)cc1 ZINC000017862401 556269423 /nfs/dbraw/zinc/26/94/23/556269423.db2.gz DHFJZVGWMIVNMP-XLNRJJMWSA-N 1 1 479.502 6.192 50 0 JKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000027989795 556311732 /nfs/dbraw/zinc/31/17/32/556311732.db2.gz BTNCPDMIUSGTNX-VWLOTQADSA-N 1 1 464.009 5.831 50 0 JKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000028287238 556327633 /nfs/dbraw/zinc/32/76/33/556327633.db2.gz ABANUBPXXVRJNW-OAQYLSRUSA-N 1 1 488.813 5.715 50 0 JKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000028287240 556327686 /nfs/dbraw/zinc/32/76/86/556327686.db2.gz ABANUBPXXVRJNW-NRFANRHFSA-N 1 1 488.813 5.715 50 0 JKAAMO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019364499 556345735 /nfs/dbraw/zinc/34/57/35/556345735.db2.gz ZHKWYPRSELVIIG-LOYHVIPDSA-N 1 1 487.474 7.490 50 0 JKAAMO Cc1ccc(C)c2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019367102 556346249 /nfs/dbraw/zinc/34/62/49/556346249.db2.gz URWDRMWNZGZZJQ-UHFFFAOYSA-N 1 1 451.614 5.361 50 0 JKAAMO O=C(CCN1CC[N@H+]2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019370548 556346569 /nfs/dbraw/zinc/34/65/69/556346569.db2.gz KAVQQYSUMOZNRQ-GOSISDBHSA-N 1 1 461.553 5.395 50 0 biogenic JKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732593 556363106 /nfs/dbraw/zinc/36/31/06/556363106.db2.gz KVLMXTDGOPNECH-MHZLTWQESA-N 1 1 454.054 7.221 50 0 JKAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000019739797 556363649 /nfs/dbraw/zinc/36/36/49/556363649.db2.gz YUIXXYJNRSJNPB-HHHXNRCGSA-N 1 1 483.616 5.032 50 0 JKAAMO CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000019790443 556370409 /nfs/dbraw/zinc/37/04/09/556370409.db2.gz XQLRPFPLIWMGFO-DEOSSOPVSA-N 1 1 459.074 5.340 50 0 JKAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793636 556372997 /nfs/dbraw/zinc/37/29/97/556372997.db2.gz AYQKWFOAWGGBNV-UHFFFAOYSA-N 1 1 495.667 5.779 50 0 JKAAMO C[C@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000019801817 556378565 /nfs/dbraw/zinc/37/85/65/556378565.db2.gz CTMMBWNZQQRDPB-QGZVFWFLSA-N 1 1 477.888 7.681 50 0 JKAAMO C[C@@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000019801820 556378701 /nfs/dbraw/zinc/37/87/01/556378701.db2.gz CTMMBWNZQQRDPB-KRWDZBQOSA-N 1 1 477.888 7.681 50 0 JKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019814962 556382797 /nfs/dbraw/zinc/38/27/97/556382797.db2.gz UOGHXPFTHJXTOK-UHFFFAOYSA-N 1 1 461.656 5.816 50 0 JKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019814962 556382799 /nfs/dbraw/zinc/38/27/99/556382799.db2.gz UOGHXPFTHJXTOK-UHFFFAOYSA-N 1 1 461.656 5.816 50 0 JKAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000019823062 556393074 /nfs/dbraw/zinc/39/30/74/556393074.db2.gz VUXKRTCEGSSCQA-UHFFFAOYSA-N 1 1 460.021 5.169 50 0 JKAAMO C[C@@H](CC(=O)N[C@@H](C)c1ccccc1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019831355 556398317 /nfs/dbraw/zinc/39/83/17/556398317.db2.gz PACWPPZKIUYVHD-DQEYMECFSA-N 1 1 483.656 5.214 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C)Cc2cccs2)cc1 ZINC000032836180 556507241 /nfs/dbraw/zinc/50/72/41/556507241.db2.gz SRXMKAKKYPAOAJ-QGZVFWFLSA-N 1 1 498.446 6.203 50 0 JKAAMO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)C1 ZINC000008583025 562940062 /nfs/dbraw/zinc/94/00/62/562940062.db2.gz KXSIXHMOZBWTNN-HSZRJFAPSA-N 1 1 467.617 5.481 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000008590250 562942573 /nfs/dbraw/zinc/94/25/73/562942573.db2.gz ZTRTXAPXDPSGPC-OAHLLOKOSA-N 1 1 473.440 5.562 50 0 JKAAMO CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000008590238 562942576 /nfs/dbraw/zinc/94/25/76/562942576.db2.gz CAPMBDOURMKUGE-IBGZPJMESA-N 1 1 468.623 5.207 50 0 JKAAMO Cc1cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617158 562948191 /nfs/dbraw/zinc/94/81/91/562948191.db2.gz PKBYHOMOWNFOFW-MHZLTWQESA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008648597 562948487 /nfs/dbraw/zinc/94/84/87/562948487.db2.gz HQWWNJBHAKGNIW-UHFFFAOYSA-N 1 1 485.897 5.055 50 0 JKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219490 563014764 /nfs/dbraw/zinc/01/47/64/563014764.db2.gz RGVNEPBKBZHMPN-XMMPIXPASA-N 1 1 480.612 5.911 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccncc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054105786 569589255 /nfs/dbraw/zinc/58/92/55/569589255.db2.gz LIWXMSWBEUZVDB-MHZLTWQESA-N 1 1 482.653 5.924 50 0 JKAAMO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000054105807 569589331 /nfs/dbraw/zinc/58/93/31/569589331.db2.gz BTOGAULCPJIYSF-UHFFFAOYSA-N 1 1 453.583 5.087 50 0 JKAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1-c1ccc(Cl)cc1 ZINC000054274627 569589645 /nfs/dbraw/zinc/58/96/45/569589645.db2.gz YWCOUJAOWJHUMC-UHFFFAOYSA-N 1 1 466.416 5.642 50 0 JKAAMO CCC[N@@H+]1CC(=Cc2cccc3ccccc23)C2=NC(=S)N[C@H](c3cccc4ccccc43)C2C1 ZINC000055028194 569590485 /nfs/dbraw/zinc/59/04/85/569590485.db2.gz CCBFBQSLGTZNJH-FTDJXNPMSA-N 1 1 475.661 6.986 50 0 JKAAMO COc1ccc(OC)c(-c2cc(C(=O)N3CC[NH+](CCc4ccccc4)CC3)c3cc(C)ccc3n2)c1 ZINC000055060441 569590692 /nfs/dbraw/zinc/59/06/92/569590692.db2.gz GRZDLAAPEAYOAF-UHFFFAOYSA-N 1 1 495.623 5.228 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1sc2ccccc2c1Cl ZINC000055545153 569592049 /nfs/dbraw/zinc/59/20/49/569592049.db2.gz BSJSUHXXNGKXLH-UHFFFAOYSA-N 1 1 480.008 6.268 50 0 JKAAMO Clc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c5ccccc5oc43)CC2)cc1 ZINC000057099781 569594424 /nfs/dbraw/zinc/59/44/24/569594424.db2.gz HSZOOGZHFLDARP-UHFFFAOYSA-N 1 1 454.961 6.019 50 0 JKAAMO CCOc1cc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OCc1cccs1 ZINC000008707662 569594851 /nfs/dbraw/zinc/59/48/51/569594851.db2.gz WMSJEFHVXRENTI-UHFFFAOYSA-N 1 1 460.546 5.465 50 0 JKAAMO CCOc1cc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OCc1cccs1 ZINC000008707662 569594852 /nfs/dbraw/zinc/59/48/52/569594852.db2.gz WMSJEFHVXRENTI-UHFFFAOYSA-N 1 1 460.546 5.465 50 0 JKAAMO Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057289904 569595645 /nfs/dbraw/zinc/59/56/45/569595645.db2.gz KOLZMRUESHLFSQ-SANMLTNESA-N 1 1 457.574 5.040 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000057293282 569595905 /nfs/dbraw/zinc/59/59/05/569595905.db2.gz CDCWDDKAQQFUIO-MHZLTWQESA-N 1 1 485.609 5.635 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983601 569606914 /nfs/dbraw/zinc/60/69/14/569606914.db2.gz ANDMBLQSINCRKC-MVUTXWCHSA-N 1 1 467.997 5.096 50 0 JKAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983652 569606973 /nfs/dbraw/zinc/60/69/73/569606973.db2.gz WFSDQLVNKGOYFL-OJLHXUGZSA-N 1 1 490.003 5.352 50 0 JKAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983651 569607020 /nfs/dbraw/zinc/60/70/20/569607020.db2.gz WFSDQLVNKGOYFL-XQQQEEOESA-N 1 1 490.003 5.352 50 0 JKAAMO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@H+](C)C[C@@H]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000059607493 569607231 /nfs/dbraw/zinc/60/72/31/569607231.db2.gz KHYACKNGUMLYGX-ULAQWOPESA-N 1 1 453.430 5.712 50 0 JKAAMO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000032986642 569608920 /nfs/dbraw/zinc/60/89/20/569608920.db2.gz DKUSIDJRUBSGCK-UHFFFAOYSA-N 1 1 486.015 5.912 50 0 JKAAMO Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)c3)nn2)cc1 ZINC000032996987 569610793 /nfs/dbraw/zinc/61/07/93/569610793.db2.gz NWIGAHYYPYOXOB-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000032997033 569610915 /nfs/dbraw/zinc/61/09/15/569610915.db2.gz QSLZEHNINDIADX-UHFFFAOYSA-N 1 1 465.601 5.529 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000063666776 569615882 /nfs/dbraw/zinc/61/58/82/569615882.db2.gz LNOQUJUTIPBMIX-UHFFFAOYSA-N 1 1 461.650 5.550 50 0 JKAAMO COc1ccc(Cn2c(C)c(C[NH2+]CCC[N@@H+](Cc3ccccc3)C(C)C)c(C(=O)[O-])c2C)cc1 ZINC000063666804 569616021 /nfs/dbraw/zinc/61/60/21/569616021.db2.gz VHQRDGVULBZPJJ-UHFFFAOYSA-N 1 1 477.649 5.250 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010573 569616783 /nfs/dbraw/zinc/61/67/83/569616783.db2.gz VCGVVLODEXFPHI-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010578 569616794 /nfs/dbraw/zinc/61/67/94/569616794.db2.gz OHCPEUGRYLDJTN-UHFFFAOYSA-N 1 1 479.628 5.838 50 0 JKAAMO Cc1ccc(-c2cc(Nc3cccc(C(=O)N4CC[N@@H+](C)C[C@@H]4c4ccccc4)c3)ncn2)cc1 ZINC000033010563 569616839 /nfs/dbraw/zinc/61/68/39/569616839.db2.gz FYDHVJFLPKGKRV-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(-c2cc(Nc3cccc(C(=O)N4CC[N@H+](C)C[C@@H]4c4ccccc4)c3)ncn2)cc1 ZINC000033010563 569616840 /nfs/dbraw/zinc/61/68/40/569616840.db2.gz FYDHVJFLPKGKRV-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033014163 569618003 /nfs/dbraw/zinc/61/80/03/569618003.db2.gz LQOQQGYSLMQWKI-UHFFFAOYSA-N 1 1 459.594 5.950 50 0 JKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033014163 569618004 /nfs/dbraw/zinc/61/80/04/569618004.db2.gz LQOQQGYSLMQWKI-UHFFFAOYSA-N 1 1 459.594 5.950 50 0 JKAAMO Fc1cccc(-c2nc3sc(N4CC[NH+](Cc5ccccc5)CC4)nn3c2NC2CCCC2)c1 ZINC000064746736 569625569 /nfs/dbraw/zinc/62/55/69/569625569.db2.gz FKXQARCRKMFFSG-UHFFFAOYSA-N 1 1 476.625 5.274 50 0 JKAAMO Cc1ccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5C)c4NC(C)(C)C)s3)CC2)cc1 ZINC000064746758 569625740 /nfs/dbraw/zinc/62/57/40/569625740.db2.gz BMLMSIOCSFPEKR-UHFFFAOYSA-N 1 1 474.678 5.607 50 0 JKAAMO Cc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5cccc(F)c5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746778 569625748 /nfs/dbraw/zinc/62/57/48/569625748.db2.gz PZOPBLPJRCWHPW-UHFFFAOYSA-N 1 1 478.641 5.438 50 0 JKAAMO Cc1cccc(-c2nc3sc(N4CC[NH+](Cc5ccccc5)CC4)nn3c2NC2CCCC2)c1 ZINC000064746751 569625777 /nfs/dbraw/zinc/62/57/77/569625777.db2.gz MANWZCRKDGZCRU-UHFFFAOYSA-N 1 1 472.662 5.443 50 0 JKAAMO CC[NH+]1CCN(C(=O)/C(=C/c2ccccc2OC(F)F)c2ccc(-c3ccccc3)cc2)CC1 ZINC000033400825 569625893 /nfs/dbraw/zinc/62/58/93/569625893.db2.gz RXSNIXXJKAKANQ-LKUDQCMESA-N 1 1 462.540 5.660 50 0 JKAAMO CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CC[NH+](CCOc4ccc(F)cc4)CC3)nn21 ZINC000064746802 569625929 /nfs/dbraw/zinc/62/59/29/569625929.db2.gz QZETVAQNICJEFZ-UHFFFAOYSA-N 1 1 494.640 5.008 50 0 JKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1OC ZINC000064790073 569628592 /nfs/dbraw/zinc/62/85/92/569628592.db2.gz HWAFGLYWBMNQQM-QHCPKHFHSA-N 1 1 463.559 5.824 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1OC ZINC000064790075 569628609 /nfs/dbraw/zinc/62/86/09/569628609.db2.gz HWAFGLYWBMNQQM-HSZRJFAPSA-N 1 1 463.559 5.824 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800962 569631439 /nfs/dbraw/zinc/63/14/39/569631439.db2.gz LDEUHMHLCDVDPT-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064802045 569631763 /nfs/dbraw/zinc/63/17/63/569631763.db2.gz ZAPBYYLIZJTOGN-UHFFFAOYSA-N 1 1 472.014 5.727 50 0 JKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)cc12 ZINC000033742648 569633240 /nfs/dbraw/zinc/63/32/40/569633240.db2.gz VMZVMGWPJXZHKE-GGAORHGYSA-N 1 1 477.033 5.805 50 0 JKAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816536 569633532 /nfs/dbraw/zinc/63/35/32/569633532.db2.gz YZBXCZLGFGKXPD-QFIPXVFZSA-N 1 1 466.050 6.050 50 0 JKAAMO c1ccc(COc2ccccc2O[C@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876658 569636854 /nfs/dbraw/zinc/63/68/54/569636854.db2.gz NOVKCRPJQZXSJH-WJOKGBTCSA-N 1 1 492.663 6.594 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CC[C@@H](C)C3)cc1 ZINC000033890444 569637074 /nfs/dbraw/zinc/63/70/74/569637074.db2.gz ZLYZFZWAWPZMOA-MSOLQXFVSA-N 1 1 469.651 5.337 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CC[C@@H](C)C3)cc1 ZINC000033890444 569637076 /nfs/dbraw/zinc/63/70/76/569637076.db2.gz ZLYZFZWAWPZMOA-MSOLQXFVSA-N 1 1 469.651 5.337 50 0 JKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033912335 569637501 /nfs/dbraw/zinc/63/75/01/569637501.db2.gz DNSDVZRCKQMJSK-IRLDBZIGSA-N 1 1 495.733 6.663 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033912335 569637502 /nfs/dbraw/zinc/63/75/02/569637502.db2.gz DNSDVZRCKQMJSK-IRLDBZIGSA-N 1 1 495.733 6.663 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671590 569640773 /nfs/dbraw/zinc/64/07/73/569640773.db2.gz POXGBABHUZQVAD-FIRIVFDPSA-N 1 1 491.635 5.703 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671642 569640822 /nfs/dbraw/zinc/64/08/22/569640822.db2.gz QPSONGGBLIJULB-URLMMPGGSA-N 1 1 472.629 5.063 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671842 569640933 /nfs/dbraw/zinc/64/09/33/569640933.db2.gz AYYONEXDWRYLLW-NGQVCNFZSA-N 1 1 470.657 6.072 50 0 JKAAMO CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671699 569640988 /nfs/dbraw/zinc/64/09/88/569640988.db2.gz SQTNFYWNXNCNAR-WDYNHAJCSA-N 1 1 456.630 5.826 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671670 569641011 /nfs/dbraw/zinc/64/10/11/569641011.db2.gz WSKMESBHYOFRMV-VMPREFPWSA-N 1 1 456.630 5.825 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671845 569641016 /nfs/dbraw/zinc/64/10/16/569641016.db2.gz AYYONEXDWRYLLW-QABMSTFYSA-N 1 1 470.657 6.072 50 0 JKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1ccccc1 ZINC000034681885 569643479 /nfs/dbraw/zinc/64/34/79/569643479.db2.gz XTPJLBMZTVZOFW-VWLOTQADSA-N 1 1 496.577 5.945 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681772 569643492 /nfs/dbraw/zinc/64/34/92/569643492.db2.gz RJLVBTXRKUFDMP-UHFFFAOYSA-N 1 1 454.496 5.065 50 0 JKAAMO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682558 569643907 /nfs/dbraw/zinc/64/39/07/569643907.db2.gz QZBGKOFNIXPHQT-UHFFFAOYSA-N 1 1 474.473 6.295 50 0 JKAAMO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682629 569644023 /nfs/dbraw/zinc/64/40/23/569644023.db2.gz UMKOUFGLPGZMMQ-UHFFFAOYSA-N 1 1 456.483 6.156 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c(OC)c1OC ZINC000034683461 569644302 /nfs/dbraw/zinc/64/43/02/569644302.db2.gz DYWYGOJXNLSMQP-UHFFFAOYSA-N 1 1 478.564 5.163 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683357 569644378 /nfs/dbraw/zinc/64/43/78/569644378.db2.gz BJMMIFHXPOBUOY-UHFFFAOYSA-N 1 1 488.628 5.641 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034683696 569644398 /nfs/dbraw/zinc/64/43/98/569644398.db2.gz MBLLGQNFCBPRBU-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034683704 569644466 /nfs/dbraw/zinc/64/44/66/569644466.db2.gz LHKFCPXBSYEXIQ-UHFFFAOYSA-N 1 1 476.976 5.478 50 0 JKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683662 569644538 /nfs/dbraw/zinc/64/45/38/569644538.db2.gz XWCFJYRPFRJOHZ-UHFFFAOYSA-N 1 1 458.986 5.339 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3Cl)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683809 569644678 /nfs/dbraw/zinc/64/46/78/569644678.db2.gz JSNPLOKYPDIHQP-UHFFFAOYSA-N 1 1 469.050 5.817 50 0 JKAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000034683816 569644692 /nfs/dbraw/zinc/64/46/92/569644692.db2.gz HYVREDOJOITQNK-UHFFFAOYSA-N 1 1 494.657 5.181 50 0 JKAAMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683909 569644770 /nfs/dbraw/zinc/64/47/70/569644770.db2.gz RADAGOZOTXWDEM-UHFFFAOYSA-N 1 1 492.538 5.704 50 0 JKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685542 569644958 /nfs/dbraw/zinc/64/49/58/569644958.db2.gz DPIDBHZYWODXFL-RCRUUEGKSA-N 1 1 498.598 5.992 50 0 JKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685542 569644960 /nfs/dbraw/zinc/64/49/60/569644960.db2.gz DPIDBHZYWODXFL-RCRUUEGKSA-N 1 1 498.598 5.992 50 0 JKAAMO CN(Cc1ccco1)C(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034686591 569645432 /nfs/dbraw/zinc/64/54/32/569645432.db2.gz MEEACHBYUVXTKM-PMERELPUSA-N 1 1 466.581 5.465 50 0 JKAAMO O=C(c1ccccc1)N(C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000034698706 569647865 /nfs/dbraw/zinc/64/78/65/569647865.db2.gz NLHHWGCMZAFCKX-UFHPHHKVSA-N 1 1 460.593 6.109 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698745 569647921 /nfs/dbraw/zinc/64/79/21/569647921.db2.gz MJQANANUZJIAJD-SQHAQQRYSA-N 1 1 462.584 6.040 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698777 569647968 /nfs/dbraw/zinc/64/79/68/569647968.db2.gz JTRCTKGLALVKMT-VPUSJEBWSA-N 1 1 461.049 6.415 50 0 JKAAMO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)oc1C ZINC000034698768 569647971 /nfs/dbraw/zinc/64/79/71/569647971.db2.gz YZTWRCXSUHPZBH-UFHPHHKVSA-N 1 1 462.609 6.110 50 0 JKAAMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccccc3)C3CCCCC3)C2)c1 ZINC000034698880 569648015 /nfs/dbraw/zinc/64/80/15/569648015.db2.gz BBKBBTKIUNGKKV-AKGWNBJDSA-N 1 1 496.695 6.694 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698874 569648020 /nfs/dbraw/zinc/64/80/20/569648020.db2.gz XRASHGBJFYUEFB-GGXMVOPNSA-N 1 1 472.698 6.747 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698878 569648059 /nfs/dbraw/zinc/64/80/59/569648059.db2.gz NGKIODOQWSAFSG-POURPWNDSA-N 1 1 467.657 6.081 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698805 569648076 /nfs/dbraw/zinc/64/80/76/569648076.db2.gz ZILLPNFYGNAFRY-RSXGOPAZSA-N 1 1 462.584 6.040 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000034698892 569648097 /nfs/dbraw/zinc/64/80/97/569648097.db2.gz QIVDMJRNBXCIBP-YIXXDRMTSA-N 1 1 478.608 5.750 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000034698939 569648185 /nfs/dbraw/zinc/64/81/85/569648185.db2.gz KMDUORYILZHPCS-YZNIXAGQSA-N 1 1 486.656 6.287 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699059 569648382 /nfs/dbraw/zinc/64/83/82/569648382.db2.gz ASIUWBFGNSGBDU-RCZVLFRGSA-N 1 1 454.586 5.793 50 0 JKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699346 569648389 /nfs/dbraw/zinc/64/83/89/569648389.db2.gz LOGADMRGBBEGNZ-BVAGGSTKSA-N 1 1 466.622 5.469 50 0 JKAAMO Cc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699093 569648468 /nfs/dbraw/zinc/64/84/68/569648468.db2.gz OAULFGPORZLVKB-KAYWLYCHSA-N 1 1 470.613 5.490 50 0 JKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000034699169 569648509 /nfs/dbraw/zinc/64/85/09/569648509.db2.gz FNFNNGURZGQJNT-ZEQKJWHPSA-N 1 1 484.562 6.373 50 0 JKAAMO COc1ccc(C[N@H+]2C[C@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034699261 569648538 /nfs/dbraw/zinc/64/85/38/569648538.db2.gz ICLOPCRSKOTYNV-GGXMVOPNSA-N 1 1 460.593 5.407 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699163 569648553 /nfs/dbraw/zinc/64/85/53/569648553.db2.gz HZJOIVXYOQBGFO-PXDATVDWSA-N 1 1 487.541 5.939 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699344 569648557 /nfs/dbraw/zinc/64/85/57/569648557.db2.gz KHAGTXLJKXIGAT-BKMJKUGQSA-N 1 1 452.595 5.160 50 0 JKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(C)c(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699369 569648597 /nfs/dbraw/zinc/64/85/97/569648597.db2.gz VTRYEKFMEUKFQE-CUBQBAPOSA-N 1 1 464.581 5.308 50 0 JKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699363 569648603 /nfs/dbraw/zinc/64/86/03/569648603.db2.gz IPFPRJRUGNFKEG-HOFKKMOUSA-N 1 1 466.622 5.469 50 0 JKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699348 569648647 /nfs/dbraw/zinc/64/86/47/569648647.db2.gz MNDZOCBWUMLPHZ-KCWPFWIISA-N 1 1 450.554 5.000 50 0 JKAAMO Fc1cccc(C[N@H+]2CCCN(c3nc4cc(Cl)ccc4c4nnc(C5CCCCC5)n43)CC2)c1 ZINC000034707930 569650039 /nfs/dbraw/zinc/65/00/39/569650039.db2.gz PTXIVIOSANWFLB-UHFFFAOYSA-N 1 1 493.030 5.830 50 0 JKAAMO Cc1ccsc1C[N@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707928 569650128 /nfs/dbraw/zinc/65/01/28/569650128.db2.gz WASZBXRVIHVBJK-UHFFFAOYSA-N 1 1 495.096 6.061 50 0 JKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)N(C)Cc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716826 569651843 /nfs/dbraw/zinc/65/18/43/569651843.db2.gz UYJWXNNRHYKFDR-JWQCQUIFSA-N 1 1 465.012 6.052 50 0 JKAAMO Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716811 569651865 /nfs/dbraw/zinc/65/18/65/569651865.db2.gz SGSWXLJKSFSKOZ-XZOQPEGZSA-N 1 1 468.975 5.849 50 0 JKAAMO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN3CCN(c4ccccc4)CC3)C2)o1 ZINC000034723413 569652663 /nfs/dbraw/zinc/65/26/63/569652663.db2.gz OQDYENVDNVDKFF-HOFKKMOUSA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1ccc(CN2C[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034723413 569652664 /nfs/dbraw/zinc/65/26/64/569652664.db2.gz OQDYENVDNVDKFF-HOFKKMOUSA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CC[NH+](Cc3cccc(F)c3F)CC2)n1 ZINC000034725784 569652792 /nfs/dbraw/zinc/65/27/92/569652792.db2.gz YLUQQKRYRSFCDW-UHFFFAOYSA-N 1 1 463.572 5.410 50 0 JKAAMO COc1ccccc1[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)Oc1cc(C)ccc1Cl ZINC000034727651 569653087 /nfs/dbraw/zinc/65/30/87/569653087.db2.gz QGGPEKBIMUGESB-HHHXNRCGSA-N 1 1 465.037 5.985 50 0 JKAAMO COc1ccc(O[C@@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000034727932 569653176 /nfs/dbraw/zinc/65/31/76/569653176.db2.gz BYYYHAVNPUZDMS-MHZLTWQESA-N 1 1 451.010 5.677 50 0 JKAAMO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@@H+](Cc2ccccc2F)C1 ZINC000034733523 569653417 /nfs/dbraw/zinc/65/34/17/569653417.db2.gz USROVCQNBKJARQ-FTJBHMTQSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733441 569653451 /nfs/dbraw/zinc/65/34/51/569653451.db2.gz JVMLLBZFXANGEU-SFTDATJTSA-N 1 1 466.528 5.226 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733438 569653583 /nfs/dbraw/zinc/65/35/83/569653583.db2.gz JVMLLBZFXANGEU-LEWJYISDSA-N 1 1 466.528 5.226 50 0 JKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCCc3ccccc3OC)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000034733823 569653675 /nfs/dbraw/zinc/65/36/75/569653675.db2.gz ZGNAHFOZCBSBPQ-NAKRPHOHSA-N 1 1 488.628 5.025 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055127 569653973 /nfs/dbraw/zinc/65/39/73/569653973.db2.gz IFMSRKTYOQOYMY-FQEVSTJZSA-N 1 1 478.612 6.059 50 0 JKAAMO COc1ccc(Oc2ncc(-c3ccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)cc3)cn2)cc1 ZINC000065057680 569654621 /nfs/dbraw/zinc/65/46/21/569654621.db2.gz GTSODMPDGWFLHM-MHZLTWQESA-N 1 1 480.568 5.073 50 0 JKAAMO COc1ccc(Oc2ncc(-c3ccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)cc3)cn2)cc1 ZINC000065057680 569654622 /nfs/dbraw/zinc/65/46/22/569654622.db2.gz GTSODMPDGWFLHM-MHZLTWQESA-N 1 1 480.568 5.073 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000034739940 569655069 /nfs/dbraw/zinc/65/50/69/569655069.db2.gz CEQGKCIZFNTOOO-FGZHOGPDSA-N 1 1 497.010 6.049 50 0 JKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000034739930 569655098 /nfs/dbraw/zinc/65/50/98/569655098.db2.gz YJDWVSYNFLLGEO-VDKIKQQVSA-N 1 1 469.025 5.095 50 0 JKAAMO COc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)Nc3ccc(OC)cc3OC)C2)c1 ZINC000034740143 569655256 /nfs/dbraw/zinc/65/52/56/569655256.db2.gz NCJHHCKKVKBGOT-GOTSBHOMSA-N 1 1 492.591 5.404 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740297 569655270 /nfs/dbraw/zinc/65/52/70/569655270.db2.gz OQZHOFIAJOWLSA-ZEQKJWHPSA-N 1 1 457.058 5.705 50 0 JKAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034740153 569655330 /nfs/dbraw/zinc/65/53/30/569655330.db2.gz BHKDRWYGXDNCDH-LOSJGSFVSA-N 1 1 478.583 5.246 50 0 JKAAMO COc1ccccc1[C@H](CC[NH+]1CCN(Cc2ccccc2)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000034740138 569655436 /nfs/dbraw/zinc/65/54/36/569655436.db2.gz SOXPZLPOWAIHGP-HKBQPEDESA-N 1 1 472.673 6.455 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(CC)C(=O)c3cccc(F)c3)nn2-c2cccc(Cl)c2)C1 ZINC000034762304 569657977 /nfs/dbraw/zinc/65/79/77/569657977.db2.gz AXCXKDWNTCQUCJ-UHFFFAOYSA-N 1 1 454.977 5.095 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(CC)C(=O)c3cccc(Cl)c3)nn2-c2cccc(Cl)c2)C1 ZINC000034762296 569657987 /nfs/dbraw/zinc/65/79/87/569657987.db2.gz YXRWVCOZZRIZRQ-UHFFFAOYSA-N 1 1 471.432 5.610 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000034829772 569663414 /nfs/dbraw/zinc/66/34/14/569663414.db2.gz WEPZPXQYSUXPIO-DWACAAAGSA-N 1 1 481.706 5.034 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000034829772 569663415 /nfs/dbraw/zinc/66/34/15/569663415.db2.gz WEPZPXQYSUXPIO-DWACAAAGSA-N 1 1 481.706 5.034 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034830107 569663636 /nfs/dbraw/zinc/66/36/36/569663636.db2.gz UCTSYTFDLKIFMS-LXWOLXCRSA-N 1 1 495.733 5.361 50 0 JKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830390 569663891 /nfs/dbraw/zinc/66/38/91/569663891.db2.gz AYQFJXQPCMBHOI-WXVAWEFUSA-N 1 1 493.717 5.034 50 0 JKAAMO COc1ccccc1-c1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)n2nc(-c3ccccc3)cc2n1 ZINC000034834111 569664626 /nfs/dbraw/zinc/66/46/26/569664626.db2.gz MBNMFDJEOJBCBW-OAQYLSRUSA-N 1 1 483.616 5.066 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833798 569664719 /nfs/dbraw/zinc/66/47/19/569664719.db2.gz QCVVXKKOPBICPC-FQEVSTJZSA-N 1 1 488.035 5.711 50 0 JKAAMO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1ccc(F)cc1)[C@@H](C)CC ZINC000034836338 569665308 /nfs/dbraw/zinc/66/53/08/569665308.db2.gz AWUFPGKGILXRCV-NRFANRHFSA-N 1 1 481.635 5.265 50 0 JKAAMO CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1sccc1C)C(C)C ZINC000034836552 569665483 /nfs/dbraw/zinc/66/54/83/569665483.db2.gz MHYPBRGVZWESSA-UHFFFAOYSA-N 1 1 497.728 5.886 50 0 JKAAMO CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1sccc1C)C(C)C ZINC000034836552 569665484 /nfs/dbraw/zinc/66/54/84/569665484.db2.gz MHYPBRGVZWESSA-UHFFFAOYSA-N 1 1 497.728 5.886 50 0 JKAAMO CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1ccccc1)C(C)C ZINC000034836539 569665564 /nfs/dbraw/zinc/66/55/64/569665564.db2.gz XCIDBFRIZWCXRU-UHFFFAOYSA-N 1 1 477.672 5.516 50 0 JKAAMO CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1ccccc1)C(C)C ZINC000034836539 569665565 /nfs/dbraw/zinc/66/55/65/569665565.db2.gz XCIDBFRIZWCXRU-UHFFFAOYSA-N 1 1 477.672 5.516 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1cccs1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836399 569665735 /nfs/dbraw/zinc/66/57/35/569665735.db2.gz NPXSMBUNKNYJAS-HXUWFJFHSA-N 1 1 469.674 5.324 50 0 JKAAMO CC[C@@H](C)[N@@H+](Cc1cccs1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836399 569665736 /nfs/dbraw/zinc/66/57/36/569665736.db2.gz NPXSMBUNKNYJAS-HXUWFJFHSA-N 1 1 469.674 5.324 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CC)C[C@@H](C)c1ccccc1 ZINC000034836746 569665912 /nfs/dbraw/zinc/66/59/12/569665912.db2.gz MDTYBSAAIQUVHH-XMMPIXPASA-N 1 1 459.682 5.121 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CC)Cc1ccc(C)cc1C ZINC000034836769 569665993 /nfs/dbraw/zinc/66/59/93/569665993.db2.gz NDTTWXBMILJJQU-UHFFFAOYSA-N 1 1 459.682 5.134 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1ccccc1C)C(C)C ZINC000034836837 569666125 /nfs/dbraw/zinc/66/61/25/569666125.db2.gz WOINMPRMDDRPNA-UHFFFAOYSA-N 1 1 459.682 5.296 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1ccccc1C)C(C)C ZINC000034836837 569666127 /nfs/dbraw/zinc/66/61/27/569666127.db2.gz WOINMPRMDDRPNA-UHFFFAOYSA-N 1 1 459.682 5.296 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cccc(C)c1 ZINC000034836911 569666273 /nfs/dbraw/zinc/66/62/73/569666273.db2.gz GOWLNXBTOFEYRT-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cccc(C)c1 ZINC000034836911 569666275 /nfs/dbraw/zinc/66/62/75/569666275.db2.gz GOWLNXBTOFEYRT-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000069930476 569693911 /nfs/dbraw/zinc/69/39/11/569693911.db2.gz IGUJMHNNSHLIDF-UHFFFAOYSA-N 1 1 472.408 5.046 50 0 JKAAMO CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427027 569694003 /nfs/dbraw/zinc/69/40/03/569694003.db2.gz DICBSWQELCUFTK-DEOSSOPVSA-N 1 1 483.081 5.841 50 0 JKAAMO CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427027 569694004 /nfs/dbraw/zinc/69/40/04/569694004.db2.gz DICBSWQELCUFTK-DEOSSOPVSA-N 1 1 483.081 5.841 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(OC)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427418 569694192 /nfs/dbraw/zinc/69/41/92/569694192.db2.gz JIUOMOMESROARX-HHHXNRCGSA-N 1 1 498.652 6.063 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1 ZINC000035427046 569694225 /nfs/dbraw/zinc/69/42/25/569694225.db2.gz KEONPNSAJCOVII-AREMUKBSSA-N 1 1 486.616 6.111 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427046 569694226 /nfs/dbraw/zinc/69/42/26/569694226.db2.gz KEONPNSAJCOVII-AREMUKBSSA-N 1 1 486.616 6.111 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2OC)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427414 569694277 /nfs/dbraw/zinc/69/42/77/569694277.db2.gz BSOVZONVJZNFBN-HHHXNRCGSA-N 1 1 498.652 6.063 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427398 569694294 /nfs/dbraw/zinc/69/42/94/569694294.db2.gz QJCQCXGASSQRSW-MUUNZHRXSA-N 1 1 496.680 6.671 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427392 569694309 /nfs/dbraw/zinc/69/43/09/569694309.db2.gz LLQUPOOJPNKLLE-NDEPHWFRSA-N 1 1 496.680 6.671 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427421 569694335 /nfs/dbraw/zinc/69/43/35/569694335.db2.gz HAMQDEZHBQLNCJ-NDEPHWFRSA-N 1 1 496.680 6.671 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427435 569694429 /nfs/dbraw/zinc/69/44/29/569694429.db2.gz HNLAVUQRQDAMNE-HHHXNRCGSA-N 1 1 482.653 6.362 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427427 569694443 /nfs/dbraw/zinc/69/44/43/569694443.db2.gz VERIJJMLOKIZQF-MUUNZHRXSA-N 1 1 496.680 6.671 50 0 JKAAMO CCc1ccc(Nc2nc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000035430082 569694954 /nfs/dbraw/zinc/69/49/54/569694954.db2.gz IBLROJQUABLWPJ-UHFFFAOYSA-N 1 1 465.601 5.114 50 0 JKAAMO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000070037687 569695104 /nfs/dbraw/zinc/69/51/04/569695104.db2.gz MZNNSDFCIQEZFM-SFHVURJKSA-N 1 1 460.553 5.261 50 0 JKAAMO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000070037687 569695105 /nfs/dbraw/zinc/69/51/05/569695105.db2.gz MZNNSDFCIQEZFM-SFHVURJKSA-N 1 1 460.553 5.261 50 0 JKAAMO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000070037691 569695142 /nfs/dbraw/zinc/69/51/42/569695142.db2.gz MZNNSDFCIQEZFM-GOSISDBHSA-N 1 1 460.553 5.261 50 0 JKAAMO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000070037691 569695144 /nfs/dbraw/zinc/69/51/44/569695144.db2.gz MZNNSDFCIQEZFM-GOSISDBHSA-N 1 1 460.553 5.261 50 0 JKAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc(-c3ccccc3)nn21 ZINC000035509780 569698110 /nfs/dbraw/zinc/69/81/10/569698110.db2.gz JVFRUDLUXGATAV-UHFFFAOYSA-N 1 1 456.546 5.160 50 0 JKAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc(-c3ccccc3)nn21 ZINC000035509780 569698112 /nfs/dbraw/zinc/69/81/12/569698112.db2.gz JVFRUDLUXGATAV-UHFFFAOYSA-N 1 1 456.546 5.160 50 0 JKAAMO Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCCC[N@H+]4CCc5ccccc5C4)n3)o2)cc1 ZINC000035560921 569704319 /nfs/dbraw/zinc/70/43/19/569704319.db2.gz QRRCAWKAJCBFFC-UHFFFAOYSA-N 1 1 476.584 5.516 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035579368 569704880 /nfs/dbraw/zinc/70/48/80/569704880.db2.gz ICABOXBZOQAMKH-FQEVSTJZSA-N 1 1 458.433 5.723 50 0 JKAAMO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@H+](C)C[C@H]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035601002 569705373 /nfs/dbraw/zinc/70/53/73/569705373.db2.gz KHYACKNGUMLYGX-RMKCNFRFSA-N 1 1 453.430 5.712 50 0 JKAAMO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1C ZINC000079189386 569707037 /nfs/dbraw/zinc/70/70/37/569707037.db2.gz CRQJLYHMKYQRQL-GBXCKJPGSA-N 1 1 464.606 5.086 50 0 biogenic JKAAMO Cc1ccn2c(c1)[nH+]c(-c1cccc(OC(=O)c3cccc(C(F)(F)F)c3)c1)c2NC1CCCCC1 ZINC000035703026 569707364 /nfs/dbraw/zinc/70/73/64/569707364.db2.gz TUTKRXIKFVEFMB-UHFFFAOYSA-N 1 1 493.529 7.292 50 0 JKAAMO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000084522273 569709302 /nfs/dbraw/zinc/70/93/02/569709302.db2.gz LPWICKFBHBOLNF-BWKNWUBXSA-N 1 1 468.041 5.115 50 0 JKAAMO Cc1cccn2c(=O)c(CC[N@H+]3CCCc4c(c5ccccc5n4Cc4ccccc4)C3)c(C)nc12 ZINC000085393531 569710091 /nfs/dbraw/zinc/71/00/91/569710091.db2.gz NZGCYKNKWJXHLG-UHFFFAOYSA-N 1 1 476.624 5.305 50 0 JKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3cccc(OCc4ccccc4)c3)c[nH]c21 ZINC000035768564 569710180 /nfs/dbraw/zinc/71/01/80/569710180.db2.gz DJUUEOQGPCREHS-GDLZYMKVSA-N 1 1 495.667 5.995 50 0 JKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840787 569713818 /nfs/dbraw/zinc/71/38/18/569713818.db2.gz UZFZJFHVDKDASN-PMERELPUSA-N 1 1 460.662 5.805 50 0 JKAAMO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000035841164 569713988 /nfs/dbraw/zinc/71/39/88/569713988.db2.gz WAZDHKGXQDLCGR-UHFFFAOYSA-N 1 1 484.562 6.677 50 0 JKAAMO Fc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)c1 ZINC000035841171 569714010 /nfs/dbraw/zinc/71/40/10/569714010.db2.gz IJCXFCWLWLTAOZ-UHFFFAOYSA-N 1 1 452.495 6.897 50 0 JKAAMO Fc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)c1 ZINC000035841171 569714012 /nfs/dbraw/zinc/71/40/12/569714012.db2.gz IJCXFCWLWLTAOZ-UHFFFAOYSA-N 1 1 452.495 6.897 50 0 JKAAMO Nc1c2c([nH+]c3c1CCc1ccccc1-3)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000035843129 569714147 /nfs/dbraw/zinc/71/41/47/569714147.db2.gz IDZNDAQIDRRXTO-UHFFFAOYSA-N 1 1 477.611 7.766 50 0 JKAAMO CC(C)[C@@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842644 569714185 /nfs/dbraw/zinc/71/41/85/569714185.db2.gz OQBKLQBOZCMYMW-LJAQVGFWSA-N 1 1 491.720 5.764 50 0 JKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843602 569714541 /nfs/dbraw/zinc/71/45/41/569714541.db2.gz DPCSDFSBNKVZOM-QFIPXVFZSA-N 1 1 465.432 5.465 50 0 JKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1F ZINC000035844724 569715165 /nfs/dbraw/zinc/71/51/65/569715165.db2.gz AYCHTXSWVNVNOS-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1F ZINC000035844724 569715168 /nfs/dbraw/zinc/71/51/68/569715168.db2.gz AYCHTXSWVNVNOS-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2cccc(Cl)c2)CC(C)C)o1 ZINC000035844759 569715376 /nfs/dbraw/zinc/71/53/76/569715376.db2.gz OYXYNSDCSUZHHG-UHFFFAOYSA-N 1 1 453.026 5.971 50 0 JKAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)CC(C)C)c1 ZINC000035844763 569715430 /nfs/dbraw/zinc/71/54/30/569715430.db2.gz MBVJGUOWXHDTPE-UHFFFAOYSA-N 1 1 476.617 5.104 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2cc(C)ccc2C)C[C@H]2CCCO2)o1 ZINC000035844909 569715653 /nfs/dbraw/zinc/71/56/53/569715653.db2.gz MICSDAFWNVUSNK-MUUNZHRXSA-N 1 1 474.645 5.457 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2cc(C)ccc2C)C[C@H]2CCCO2)o1 ZINC000035844909 569715655 /nfs/dbraw/zinc/71/56/55/569715655.db2.gz MICSDAFWNVUSNK-MUUNZHRXSA-N 1 1 474.645 5.457 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(F)c(F)c2)CC2CC2)o1 ZINC000035845014 569715835 /nfs/dbraw/zinc/71/58/35/569715835.db2.gz MVJMGOBUMFRQNZ-UHFFFAOYSA-N 1 1 452.545 5.350 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(F)c(F)c2)CC2CC2)o1 ZINC000035845014 569715836 /nfs/dbraw/zinc/71/58/36/569715836.db2.gz MVJMGOBUMFRQNZ-UHFFFAOYSA-N 1 1 452.545 5.350 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000035851801 569716582 /nfs/dbraw/zinc/71/65/82/569716582.db2.gz IGKNYERIRUINBP-DOUMQJFESA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000035851801 569716583 /nfs/dbraw/zinc/71/65/83/569716583.db2.gz IGKNYERIRUINBP-DOUMQJFESA-N 1 1 474.601 5.164 50 0 JKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000086048497 569716928 /nfs/dbraw/zinc/71/69/28/569716928.db2.gz XEDQXXKLEPKBHJ-UHFFFAOYSA-N 1 1 455.002 5.493 50 0 JKAAMO COc1cc(-c2noc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)ccc1OC(F)F ZINC000089429143 569718246 /nfs/dbraw/zinc/71/82/46/569718246.db2.gz UGXFUUODHJPKGY-UHFFFAOYSA-N 1 1 452.461 5.117 50 0 JKAAMO COc1cc(-c2noc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)ccc1OC(F)F ZINC000089429143 569718248 /nfs/dbraw/zinc/71/82/48/569718248.db2.gz UGXFUUODHJPKGY-UHFFFAOYSA-N 1 1 452.461 5.117 50 0 JKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000035872120 569719224 /nfs/dbraw/zinc/71/92/24/569719224.db2.gz AMLCKLJSAYHJNW-MUUNZHRXSA-N 1 1 465.641 5.836 50 0 JKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872359 569719359 /nfs/dbraw/zinc/71/93/59/569719359.db2.gz DLLFJRVEDGOINX-MHZLTWQESA-N 1 1 486.059 6.181 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662083 569719542 /nfs/dbraw/zinc/71/95/42/569719542.db2.gz KZIRRLBFCRHIIN-MSOLQXFVSA-N 1 1 453.505 5.601 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662083 569719544 /nfs/dbraw/zinc/71/95/44/569719544.db2.gz KZIRRLBFCRHIIN-MSOLQXFVSA-N 1 1 453.505 5.601 50 0 JKAAMO C[NH+]1CCN(c2ncc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cc2C(F)(F)F)CC1 ZINC000091695098 569721327 /nfs/dbraw/zinc/72/13/27/569721327.db2.gz DLNKESDFRKBCFM-UHFFFAOYSA-N 1 1 474.914 5.425 50 0 JKAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000035891497 569722041 /nfs/dbraw/zinc/72/20/41/569722041.db2.gz SAUBMGDTXYJAHT-AREMUKBSSA-N 1 1 497.639 5.062 50 0 JKAAMO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCN(c4ccccc4)CC3)c2cc1C ZINC000095475151 569724180 /nfs/dbraw/zinc/72/41/80/569724180.db2.gz CEBLEFMORCFZOD-UHFFFAOYSA-N 1 1 479.580 5.849 50 0 JKAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@@H+](Cc4cccc(C)c4)CC3)c12 ZINC000035924675 569728180 /nfs/dbraw/zinc/72/81/80/569728180.db2.gz GOUJSJJJHVMHPJ-UHFFFAOYSA-N 1 1 468.649 5.343 50 0 JKAAMO COc1ccc(C[N@H+]2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035924667 569728186 /nfs/dbraw/zinc/72/81/86/569728186.db2.gz PVRWDIPLJHDGOA-UHFFFAOYSA-N 1 1 484.648 5.043 50 0 JKAAMO Fc1ccc(C[N@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925671 569728917 /nfs/dbraw/zinc/72/89/17/569728917.db2.gz AGXCPQOLUYQFRI-UHFFFAOYSA-N 1 1 492.602 5.258 50 0 JKAAMO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)n1 ZINC000035925695 569728997 /nfs/dbraw/zinc/72/89/97/569728997.db2.gz OAUPNEFSDJQZOP-UHFFFAOYSA-N 1 1 475.040 5.380 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925702 569729097 /nfs/dbraw/zinc/72/90/97/569729097.db2.gz BLYGTVYLXDLLME-UHFFFAOYSA-N 1 1 454.622 5.035 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)c3ccccc3OC)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926214 569729499 /nfs/dbraw/zinc/72/94/99/569729499.db2.gz IWOIWZBOBZCQHX-UHFFFAOYSA-N 1 1 460.622 5.008 50 0 JKAAMO Cc1ccc([S@](=O)C2=CC[N@@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918218 569729697 /nfs/dbraw/zinc/72/96/97/569729697.db2.gz MVARKEYZQHJVJJ-MGBGTMOVSA-N 1 1 465.609 6.583 50 0 JKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](CCC(C)C)CC3)n2)cc1 ZINC000035927820 569730624 /nfs/dbraw/zinc/73/06/24/569730624.db2.gz PDNQLMIMDZOIHE-UHFFFAOYSA-N 1 1 468.649 5.273 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC[C@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000035939826 569731560 /nfs/dbraw/zinc/73/15/60/569731560.db2.gz RKZLOOJIGRCSPB-RWUBSVTLSA-N 1 1 479.592 6.320 50 0 JKAAMO Cc1ncc(C[N@H+]2CCCC[C@H]2CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116478 569735413 /nfs/dbraw/zinc/73/54/13/569735413.db2.gz NLKDRXVWMDUWSV-NRFANRHFSA-N 1 1 458.558 5.135 50 0 biogenic JKAAMO COc1cc2c(cc1OC)[C@H](Cc1cccc3ccccc31)[N@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000096562470 569741173 /nfs/dbraw/zinc/74/11/73/569741173.db2.gz OJMSHHWMLAPUAL-MHZLTWQESA-N 1 1 492.446 7.506 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](Cc1cccc3ccccc31)[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000096562470 569741175 /nfs/dbraw/zinc/74/11/75/569741175.db2.gz OJMSHHWMLAPUAL-MHZLTWQESA-N 1 1 492.446 7.506 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991113 569744364 /nfs/dbraw/zinc/74/43/64/569744364.db2.gz BLEZBJCRWMBDQP-RUZDIDTESA-N 1 1 463.622 5.020 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991113 569744365 /nfs/dbraw/zinc/74/43/65/569744365.db2.gz BLEZBJCRWMBDQP-RUZDIDTESA-N 1 1 463.622 5.020 50 0 JKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000036007042 569747624 /nfs/dbraw/zinc/74/76/24/569747624.db2.gz AYZKSPCVUKVWQK-COHPBREESA-N 1 1 483.587 6.706 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042962 569754423 /nfs/dbraw/zinc/75/44/23/569754423.db2.gz ILTWYZJZWNCNBQ-LYZGTLIUSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042962 569754424 /nfs/dbraw/zinc/75/44/24/569754424.db2.gz ILTWYZJZWNCNBQ-LYZGTLIUSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042955 569754498 /nfs/dbraw/zinc/75/44/98/569754498.db2.gz DLUWPGPRNFCVPE-PIKZIKFNSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042955 569754499 /nfs/dbraw/zinc/75/44/99/569754499.db2.gz DLUWPGPRNFCVPE-PIKZIKFNSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccccc1)CC2 ZINC000036043116 569754723 /nfs/dbraw/zinc/75/47/23/569754723.db2.gz PDDUFVRROQBVSL-WXTAPIANSA-N 1 1 464.993 5.275 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccccc1)CC2 ZINC000036043116 569754725 /nfs/dbraw/zinc/75/47/25/569754725.db2.gz PDDUFVRROQBVSL-WXTAPIANSA-N 1 1 464.993 5.275 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048292 569755774 /nfs/dbraw/zinc/75/57/74/569755774.db2.gz RJOICKOGJUHHBR-UHSQPCAPSA-N 1 1 488.628 5.329 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048292 569755775 /nfs/dbraw/zinc/75/57/75/569755775.db2.gz RJOICKOGJUHHBR-UHSQPCAPSA-N 1 1 488.628 5.329 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1Cl)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048267 569755833 /nfs/dbraw/zinc/75/58/33/569755833.db2.gz PHAKCBLKVZRTRB-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1Cl)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048267 569755834 /nfs/dbraw/zinc/75/58/34/569755834.db2.gz PHAKCBLKVZRTRB-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048339 569755914 /nfs/dbraw/zinc/75/59/14/569755914.db2.gz AGCDRCIEVWHYJQ-LSYYVWMOSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048339 569755915 /nfs/dbraw/zinc/75/59/15/569755915.db2.gz AGCDRCIEVWHYJQ-LSYYVWMOSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048285 569755954 /nfs/dbraw/zinc/75/59/54/569755954.db2.gz GNTJAIQQQAKNSY-LBNVMWSVSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048285 569755955 /nfs/dbraw/zinc/75/59/55/569755955.db2.gz GNTJAIQQQAKNSY-LBNVMWSVSA-N 1 1 474.601 5.020 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048506 569755999 /nfs/dbraw/zinc/75/59/99/569755999.db2.gz PTORALWNEUEYAY-VWLOTQADSA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048506 569756001 /nfs/dbraw/zinc/75/60/01/569756001.db2.gz PTORALWNEUEYAY-VWLOTQADSA-N 1 1 459.590 5.242 50 0 JKAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036246102 569757738 /nfs/dbraw/zinc/75/77/38/569757738.db2.gz BUIXUPZZZDXANQ-DEOSSOPVSA-N 1 1 463.622 5.148 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301581 569759032 /nfs/dbraw/zinc/75/90/32/569759032.db2.gz LBZUGVWVYUJHLU-JOCHJYFZSA-N 1 1 451.611 5.266 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308116 569759187 /nfs/dbraw/zinc/75/91/87/569759187.db2.gz SCISSBCBCOXEIX-HSZRJFAPSA-N 1 1 475.589 5.261 50 0 JKAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308116 569759188 /nfs/dbraw/zinc/75/91/88/569759188.db2.gz SCISSBCBCOXEIX-HSZRJFAPSA-N 1 1 475.589 5.261 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036301820 569759272 /nfs/dbraw/zinc/75/92/72/569759272.db2.gz VFQZWBIESLGXNX-RUZDIDTESA-N 1 1 498.067 5.872 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)C(C)C)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301691 569759283 /nfs/dbraw/zinc/75/92/83/569759283.db2.gz LQFJXSIAKGHABC-SANMLTNESA-N 1 1 484.040 5.864 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036301788 569759289 /nfs/dbraw/zinc/75/92/89/569759289.db2.gz SNCDLIGXZVDZDY-DEOSSOPVSA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036301788 569759290 /nfs/dbraw/zinc/75/92/90/569759290.db2.gz SNCDLIGXZVDZDY-DEOSSOPVSA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313047 569760604 /nfs/dbraw/zinc/76/06/04/569760604.db2.gz AEBKMWIKAWLQKO-VWLOTQADSA-N 1 1 475.633 5.292 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313657 569760865 /nfs/dbraw/zinc/76/08/65/569760865.db2.gz SYIJGPACDQZDTI-QHCPKHFHSA-N 1 1 463.622 5.751 50 0 JKAAMO Cc1ccccc1C(=O)N(CCC(C)C)Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1 ZINC000036313492 569760880 /nfs/dbraw/zinc/76/08/80/569760880.db2.gz UGCBJDNNWPAFBH-UHFFFAOYSA-N 1 1 460.622 5.090 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313674 569760918 /nfs/dbraw/zinc/76/09/18/569760918.db2.gz HYNMMVMMAHQOCS-HSZRJFAPSA-N 1 1 451.611 5.227 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313674 569760919 /nfs/dbraw/zinc/76/09/19/569760919.db2.gz HYNMMVMMAHQOCS-HSZRJFAPSA-N 1 1 451.611 5.227 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313755 569760982 /nfs/dbraw/zinc/76/09/82/569760982.db2.gz XXNDZWHHZFNQOV-DEOSSOPVSA-N 1 1 481.637 5.371 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313728 569761003 /nfs/dbraw/zinc/76/10/03/569761003.db2.gz DJQUDVOTTASVEL-QHCPKHFHSA-N 1 1 451.611 5.745 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313666 569761008 /nfs/dbraw/zinc/76/10/08/569761008.db2.gz RGBAGCWCNROZIK-QFIPXVFZSA-N 1 1 487.591 5.505 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313666 569761010 /nfs/dbraw/zinc/76/10/10/569761010.db2.gz RGBAGCWCNROZIK-QFIPXVFZSA-N 1 1 487.591 5.505 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313771 569761043 /nfs/dbraw/zinc/76/10/43/569761043.db2.gz PPKTXAQTPRKPAG-HSZRJFAPSA-N 1 1 481.637 5.276 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313784 569761081 /nfs/dbraw/zinc/76/10/81/569761081.db2.gz IWODRLCSHBUFCO-JTHBVZDNSA-N 1 1 465.638 6.040 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313855 569761341 /nfs/dbraw/zinc/76/13/41/569761341.db2.gz NZHQRUVDTQOTPL-DEOSSOPVSA-N 1 1 468.041 6.390 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313856 569761408 /nfs/dbraw/zinc/76/14/08/569761408.db2.gz NZHQRUVDTQOTPL-XMMPIXPASA-N 1 1 468.041 6.390 50 0 JKAAMO 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CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346136 569769053 /nfs/dbraw/zinc/76/90/53/569769053.db2.gz DLZMLUABAQLWLJ-DEOSSOPVSA-N 1 1 451.611 5.137 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346128 569769065 /nfs/dbraw/zinc/76/90/65/569769065.db2.gz XODBHTGNLXZMGC-RUZDIDTESA-N 1 1 479.665 5.915 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036346145 569769107 /nfs/dbraw/zinc/76/91/07/569769107.db2.gz PNQWXGFEIDCQEO-HHHXNRCGSA-N 1 1 485.628 5.333 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036346145 569769108 /nfs/dbraw/zinc/76/91/08/569769108.db2.gz PNQWXGFEIDCQEO-HHHXNRCGSA-N 1 1 485.628 5.333 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346242 569769179 /nfs/dbraw/zinc/76/91/79/569769179.db2.gz QJHIWWQUFCTFJQ-HSZRJFAPSA-N 1 1 455.574 5.112 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346242 569769180 /nfs/dbraw/zinc/76/91/80/569769180.db2.gz QJHIWWQUFCTFJQ-HSZRJFAPSA-N 1 1 455.574 5.112 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346193 569769271 /nfs/dbraw/zinc/76/92/71/569769271.db2.gz WTAKVRIEVMBHGD-QPPBQGQZSA-N 1 1 451.611 5.279 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346196 569769277 /nfs/dbraw/zinc/76/92/77/569769277.db2.gz KQMSVKPOOROEHA-VPUSJEBWSA-N 1 1 477.649 5.814 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346196 569769279 /nfs/dbraw/zinc/76/92/79/569769279.db2.gz KQMSVKPOOROEHA-VPUSJEBWSA-N 1 1 477.649 5.814 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346285 569769415 /nfs/dbraw/zinc/76/94/15/569769415.db2.gz WXBUWVQFCBTQFX-XMMPIXPASA-N 1 1 469.601 5.500 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346318 569769432 /nfs/dbraw/zinc/76/94/32/569769432.db2.gz LFNPGAZHABVBTM-RDPSFJRHSA-N 1 1 483.628 5.889 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346315 569769451 /nfs/dbraw/zinc/76/94/51/569769451.db2.gz WXIPNPZQGLYDIU-YKSBVNFPSA-N 1 1 469.601 5.499 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346286 569769460 /nfs/dbraw/zinc/76/94/60/569769460.db2.gz WXBUWVQFCBTQFX-DEOSSOPVSA-N 1 1 469.601 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346295 569769500 /nfs/dbraw/zinc/76/95/00/569769500.db2.gz JCIOEHGMKXHTHD-DEOSSOPVSA-N 1 1 469.601 5.356 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346304 569769521 /nfs/dbraw/zinc/76/95/21/569769521.db2.gz CYVGNVBGJNGUTO-HSZRJFAPSA-N 1 1 469.601 5.499 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346378 569769677 /nfs/dbraw/zinc/76/96/77/569769677.db2.gz GQSYXXGXEGPZBG-DEOSSOPVSA-N 1 1 469.601 5.358 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346359 569769779 /nfs/dbraw/zinc/76/97/79/569769779.db2.gz BMOLKSYYSAJKCY-QHCPKHFHSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346359 569769780 /nfs/dbraw/zinc/76/97/80/569769780.db2.gz BMOLKSYYSAJKCY-QHCPKHFHSA-N 1 1 467.585 5.253 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346387 569769788 /nfs/dbraw/zinc/76/97/88/569769788.db2.gz UCBXMSVTXDQIPK-HSZRJFAPSA-N 1 1 469.601 5.500 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346506 569769880 /nfs/dbraw/zinc/76/98/80/569769880.db2.gz YLMCPTUNPNTTKO-DEOSSOPVSA-N 1 1 493.648 5.406 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346524 569769901 /nfs/dbraw/zinc/76/99/01/569769901.db2.gz ZCQMRZGJTJRQSN-HSZRJFAPSA-N 1 1 451.611 5.143 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346533 569769922 /nfs/dbraw/zinc/76/99/22/569769922.db2.gz MXRPGYLGWBFGDK-MUUNZHRXSA-N 1 1 495.667 6.351 50 0 JKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346483 569769934 /nfs/dbraw/zinc/76/99/34/569769934.db2.gz KPJCHFIJAJZBAX-QHCPKHFHSA-N 1 1 463.622 5.922 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346466 569769941 /nfs/dbraw/zinc/76/99/41/569769941.db2.gz QFGMBDQQAIUTDB-GDLZYMKVSA-N 1 1 499.655 6.741 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000036346561 569770009 /nfs/dbraw/zinc/77/00/09/569770009.db2.gz WOBFMMXUQLTEOH-GCJKJVERSA-N 1 1 473.564 5.249 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346558 569770091 /nfs/dbraw/zinc/77/00/91/569770091.db2.gz WWYBGCOBSRODMY-CVDCTZTESA-N 1 1 487.591 5.638 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346583 569770106 /nfs/dbraw/zinc/77/01/06/569770106.db2.gz RGKSDTJGUZXISN-QFIPXVFZSA-N 1 1 487.591 5.638 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346546 569770112 /nfs/dbraw/zinc/77/01/12/569770112.db2.gz VBKOQMQWZPXCRQ-VWLOTQADSA-N 1 1 491.676 5.923 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346557 569770166 /nfs/dbraw/zinc/77/01/66/569770166.db2.gz WWYBGCOBSRODMY-XXBNENTESA-N 1 1 487.591 5.638 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346600 569770175 /nfs/dbraw/zinc/77/01/75/569770175.db2.gz VUIHSRJMZAVYKX-HSZRJFAPSA-N 1 1 487.591 5.497 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346584 569770181 /nfs/dbraw/zinc/77/01/81/569770181.db2.gz RGKSDTJGUZXISN-JOCHJYFZSA-N 1 1 487.591 5.638 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346581 569770185 /nfs/dbraw/zinc/77/01/85/569770185.db2.gz IGQZITKTLQFPEA-QHCPKHFHSA-N 1 1 487.591 5.495 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346616 569770288 /nfs/dbraw/zinc/77/02/88/569770288.db2.gz ZRHGXEHGWCLBFK-JOCHJYFZSA-N 1 1 457.565 6.014 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346639 569770300 /nfs/dbraw/zinc/77/03/00/569770300.db2.gz HEIYELNWQWRMJJ-QHCPKHFHSA-N 1 1 487.591 5.638 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346605 569770400 /nfs/dbraw/zinc/77/04/00/569770400.db2.gz RAPXCGGQEYVPLC-QFIPXVFZSA-N 1 1 487.591 5.639 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346741 569770673 /nfs/dbraw/zinc/77/06/73/569770673.db2.gz ATFMWBBJVOPSCS-QHCPKHFHSA-N 1 1 455.549 5.767 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036346759 569770843 /nfs/dbraw/zinc/77/08/43/569770843.db2.gz BBPXOCFJJPTRRQ-QHCPKHFHSA-N 1 1 487.591 5.639 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346817 569770970 /nfs/dbraw/zinc/77/09/70/569770970.db2.gz DIUQGRGQPGNNAG-VWNXMTODSA-N 1 1 479.665 5.964 50 0 JKAAMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347426 569771078 /nfs/dbraw/zinc/77/10/78/569771078.db2.gz CNEINZRAQNPFAQ-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347426 569771079 /nfs/dbraw/zinc/77/10/79/569771079.db2.gz CNEINZRAQNPFAQ-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1 ZINC000037376622 569784342 /nfs/dbraw/zinc/78/43/42/569784342.db2.gz YISAAODXQMKZKP-UHFFFAOYSA-N 1 1 482.603 5.621 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1 ZINC000037376622 569784343 /nfs/dbraw/zinc/78/43/43/569784343.db2.gz YISAAODXQMKZKP-UHFFFAOYSA-N 1 1 482.603 5.621 50 0 JKAAMO CCC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037396719 569786490 /nfs/dbraw/zinc/78/64/90/569786490.db2.gz YWGZWJBZZUNOGN-HSZRJFAPSA-N 1 1 473.448 5.439 50 0 JKAAMO CCC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397362 569786857 /nfs/dbraw/zinc/78/68/57/569786857.db2.gz BKRNHAFLFGSWFK-QHCPKHFHSA-N 1 1 473.448 5.439 50 0 JKAAMO CCC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(C)c(C)cc2nc1Cc1ccccc1Cl ZINC000037398024 569787048 /nfs/dbraw/zinc/78/70/48/569787048.db2.gz BKPPOGCXWDJVQS-XMMPIXPASA-N 1 1 467.057 5.403 50 0 JKAAMO CCC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(C)c(C)cc2nc1Cc1ccccc1Cl ZINC000037398023 569787124 /nfs/dbraw/zinc/78/71/24/569787124.db2.gz BKPPOGCXWDJVQS-DEOSSOPVSA-N 1 1 467.057 5.403 50 0 JKAAMO Cc1ccc(-c2nnc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2-c2cccc(C)c2)cc1 ZINC000037398694 569787418 /nfs/dbraw/zinc/78/74/18/569787418.db2.gz SJDFAYNHZPFHGG-UHFFFAOYSA-N 1 1 497.668 5.231 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523993 569792841 /nfs/dbraw/zinc/79/28/41/569792841.db2.gz BTIYYAQGWGXZCH-JYFHCDHNSA-N 1 1 490.610 6.070 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523994 569792868 /nfs/dbraw/zinc/79/28/68/569792868.db2.gz BTIYYAQGWGXZCH-ZEQKJWHPSA-N 1 1 490.610 6.070 50 0 JKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523706 569792881 /nfs/dbraw/zinc/79/28/81/569792881.db2.gz ZPIVUCUQUYZFHQ-RCZVLFRGSA-N 1 1 478.574 6.201 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000037524142 569793042 /nfs/dbraw/zinc/79/30/42/569793042.db2.gz ZQYQUWQCESTEPU-IXCJQBJRSA-N 1 1 491.075 6.363 50 0 JKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2Cc2ccccc2Cl)s1 ZINC000037526246 569793607 /nfs/dbraw/zinc/79/36/07/569793607.db2.gz LCAAXMCAXQRTLM-UHFFFAOYSA-N 1 1 464.034 5.671 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(F)c3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000037560564 569795546 /nfs/dbraw/zinc/79/55/46/569795546.db2.gz BQWBBRNLCARZBV-UHFFFAOYSA-N 1 1 452.595 5.302 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000037560596 569795787 /nfs/dbraw/zinc/79/57/87/569795787.db2.gz XZHRECZXJVDKPY-UHFFFAOYSA-N 1 1 489.012 5.348 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2C)CC1 ZINC000037572178 569795878 /nfs/dbraw/zinc/79/58/78/569795878.db2.gz AREPSLHNGKIYAO-UHFFFAOYSA-N 1 1 464.631 5.172 50 0 JKAAMO COc1cc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037572255 569795949 /nfs/dbraw/zinc/79/59/49/569795949.db2.gz CDUFTGABPCZCNO-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(F)c3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000037572208 569795963 /nfs/dbraw/zinc/79/59/63/569795963.db2.gz XUMWUCVMLJMFSA-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580712 569796621 /nfs/dbraw/zinc/79/66/21/569796621.db2.gz XMIRJHHYXTUFAC-UHFFFAOYSA-N 1 1 458.911 6.069 50 0 JKAAMO Cc1cc([C@@H](c2cccc(Br)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545899 569802488 /nfs/dbraw/zinc/80/24/88/569802488.db2.gz BZDWHUXXZNSKIK-HXUWFJFHSA-N 1 1 459.409 6.240 50 0 JKAAMO Cc1cc([C@H](c2cccc(Br)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546262 569802837 /nfs/dbraw/zinc/80/28/37/569802837.db2.gz ALNGZYJTGYHNNQ-NRFANRHFSA-N 1 1 473.436 6.486 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000038546343 569802881 /nfs/dbraw/zinc/80/28/81/569802881.db2.gz WTQVKNPCLQFYFZ-JOCHJYFZSA-N 1 1 452.576 5.266 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(SC)cc2)CC1 ZINC000038546371 569802961 /nfs/dbraw/zinc/80/29/61/569802961.db2.gz WWOZFZVLNGKFGT-QHCPKHFHSA-N 1 1 498.670 5.988 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(C)cc2)CC1 ZINC000038546369 569802991 /nfs/dbraw/zinc/80/29/91/569802991.db2.gz AHRFLXMCIBRJHO-QHCPKHFHSA-N 1 1 466.603 5.575 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(SC)cc2)CC1 ZINC000038546372 569803098 /nfs/dbraw/zinc/80/30/98/569803098.db2.gz WWOZFZVLNGKFGT-HSZRJFAPSA-N 1 1 498.670 5.988 50 0 JKAAMO Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546435 569803130 /nfs/dbraw/zinc/80/31/30/569803130.db2.gz KNDDALWKZKKHDT-FQEVSTJZSA-N 1 1 464.418 5.545 50 0 JKAAMO CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546513 569803266 /nfs/dbraw/zinc/80/32/66/569803266.db2.gz MMDMJHDRLLQZSU-DEOSSOPVSA-N 1 1 481.687 5.531 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1C ZINC000038546732 569803507 /nfs/dbraw/zinc/80/35/07/569803507.db2.gz XYJIGNDEJIKRAC-OAQYLSRUSA-N 1 1 460.068 5.669 50 0 JKAAMO O=C(Nc1sc2c(c1[C@@H](c1ccncc1)[NH+]1CCN(c3ccccc3)CC1)CCCC2)c1ccco1 ZINC000038546636 569803541 /nfs/dbraw/zinc/80/35/41/569803541.db2.gz OKFUIOSWDKSAEL-HHHXNRCGSA-N 1 1 498.652 5.779 50 0 JKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546998 569803670 /nfs/dbraw/zinc/80/36/70/569803670.db2.gz NRBCTQRYZDOJSY-NRFANRHFSA-N 1 1 471.504 6.826 50 0 JKAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000038546759 569803682 /nfs/dbraw/zinc/80/36/82/569803682.db2.gz JPIAWUUQNYTTRM-HSZRJFAPSA-N 1 1 485.675 5.033 50 0 JKAAMO COc1ccccc1[C@@H](Nc1cc(C)cc[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000038547035 569803811 /nfs/dbraw/zinc/80/38/11/569803811.db2.gz BCELWZBDUQCYKK-RUZDIDTESA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(Cl)cc2)c1 ZINC000038547311 569803815 /nfs/dbraw/zinc/80/38/15/569803815.db2.gz KFPRGUMSRKAKAE-XMMPIXPASA-N 1 1 478.017 7.031 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(Cl)c2)c1 ZINC000038547321 569803854 /nfs/dbraw/zinc/80/38/54/569803854.db2.gz HMUNTKPHOHTEPA-DEOSSOPVSA-N 1 1 478.017 7.031 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc3c(c2)OCO3)c1 ZINC000038547451 569803930 /nfs/dbraw/zinc/80/39/30/569803930.db2.gz XNJLQNMMSYQXBV-RUZDIDTESA-N 1 1 487.581 6.106 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c1C ZINC000038547558 569804049 /nfs/dbraw/zinc/80/40/49/569804049.db2.gz SAQCERZPTZGHFJ-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c1C ZINC000038547570 569804065 /nfs/dbraw/zinc/80/40/65/569804065.db2.gz FZNREIQDBXABNW-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccc(Cl)c2)c1C ZINC000038547563 569804137 /nfs/dbraw/zinc/80/41/37/569804137.db2.gz RJXSJPDFMOQGOP-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038547754 569804313 /nfs/dbraw/zinc/80/43/13/569804313.db2.gz TUXDUKWQTZNUTG-JOCHJYFZSA-N 1 1 451.979 6.714 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038547755 569804327 /nfs/dbraw/zinc/80/43/27/569804327.db2.gz TUXDUKWQTZNUTG-QFIPXVFZSA-N 1 1 451.979 6.714 50 0 JKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c(OC)c1 ZINC000038547682 569804331 /nfs/dbraw/zinc/80/43/31/569804331.db2.gz QITMELWNMBJVME-XMMPIXPASA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547832 569804355 /nfs/dbraw/zinc/80/43/55/569804355.db2.gz UMXJXXJLZHAOSC-QFIPXVFZSA-N 1 1 485.531 7.080 50 0 JKAAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(CC)sc2NC(=O)c2ccco2)cc1 ZINC000038547856 569804379 /nfs/dbraw/zinc/80/43/79/569804379.db2.gz JICMPWPVQPCZNO-XMMPIXPASA-N 1 1 461.587 6.459 50 0 JKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1OC ZINC000038547701 569804393 /nfs/dbraw/zinc/80/43/93/569804393.db2.gz BKWPRMJAHMZGBU-QHCPKHFHSA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547909 569804542 /nfs/dbraw/zinc/80/45/42/569804542.db2.gz GBTINWVHRMIUIF-DEOSSOPVSA-N 1 1 477.586 6.078 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(F)cc2)c1 ZINC000038551069 569805105 /nfs/dbraw/zinc/80/51/05/569805105.db2.gz IDTBRVIDBUEWGA-XMMPIXPASA-N 1 1 461.562 6.516 50 0 JKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000038551051 569805111 /nfs/dbraw/zinc/80/51/11/569805111.db2.gz AGLWLBMFHVEKJO-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO Cc1cccc(N[C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C(C)C)cc2)[nH+]1 ZINC000038551117 569805126 /nfs/dbraw/zinc/80/51/26/569805126.db2.gz SSSKJRBPBTZWEM-MHZLTWQESA-N 1 1 485.653 7.501 50 0 JKAAMO COc1ccccc1[C@H](Nc1cc(C)cc[nH+]1)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000038551055 569805182 /nfs/dbraw/zinc/80/51/82/569805182.db2.gz STVSZXSRNMDVRC-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO Cc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551099 569805199 /nfs/dbraw/zinc/80/51/99/569805199.db2.gz KTCRDLHVOXNOSP-RUZDIDTESA-N 1 1 457.599 6.686 50 0 JKAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000102423122 569813017 /nfs/dbraw/zinc/81/30/17/569813017.db2.gz JMJTUDCRHYLANB-ILBGXUMGSA-N 1 1 476.642 5.982 50 0 JKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1CCCCC1 ZINC000040040625 569814738 /nfs/dbraw/zinc/81/47/38/569814738.db2.gz YFBBDVXTEOSZSL-UHFFFAOYSA-N 1 1 462.619 5.341 50 0 JKAAMO CC[N@@H+](c1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(Cl)cn3)C2=O)cc1)C(C)C ZINC000103004332 569831405 /nfs/dbraw/zinc/83/14/05/569831405.db2.gz QLWTXOFAXOESMJ-XQNSMLJCSA-N 1 1 460.965 5.610 50 0 JKAAMO CC[N@H+](c1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(Cl)cn3)C2=O)cc1)C(C)C ZINC000103004332 569831407 /nfs/dbraw/zinc/83/14/07/569831407.db2.gz QLWTXOFAXOESMJ-XQNSMLJCSA-N 1 1 460.965 5.610 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000103174619 569833635 /nfs/dbraw/zinc/83/36/35/569833635.db2.gz QAGLHTCNSFELKC-HSZRJFAPSA-N 1 1 489.623 6.120 50 0 JKAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sc(C3CCCCC3)nn21 ZINC000046032284 569843022 /nfs/dbraw/zinc/84/30/22/569843022.db2.gz TXFVXPCGONFAPF-UHFFFAOYSA-N 1 1 479.049 6.055 50 0 JKAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sc(C3CCCCC3)nn21 ZINC000046032284 569843024 /nfs/dbraw/zinc/84/30/24/569843024.db2.gz TXFVXPCGONFAPF-UHFFFAOYSA-N 1 1 479.049 6.055 50 0 JKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000104639545 569846034 /nfs/dbraw/zinc/84/60/34/569846034.db2.gz MYEGBYNXUZHMBT-JOCHJYFZSA-N 1 1 457.540 5.435 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983099 569847953 /nfs/dbraw/zinc/84/79/53/569847953.db2.gz KBTBSKVYDLDWMJ-VQTJNVASSA-N 1 1 465.421 5.165 50 0 JKAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982609 569847956 /nfs/dbraw/zinc/84/79/56/569847956.db2.gz VLFVYSKZIPNLLA-DHIUTWEWSA-N 1 1 487.402 5.731 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982640 569848014 /nfs/dbraw/zinc/84/80/14/569848014.db2.gz FXPCGERLWDQDSG-WOJBJXKFSA-N 1 1 483.411 5.304 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982902 569848029 /nfs/dbraw/zinc/84/80/29/569848029.db2.gz MHCBUJYEERBCBT-FCHUYYIVSA-N 1 1 465.421 5.165 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983161 569848040 /nfs/dbraw/zinc/84/80/40/569848040.db2.gz OUPYRAFXYKMKCL-XZOQPEGZSA-N 1 1 499.438 5.737 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982627 569848072 /nfs/dbraw/zinc/84/80/72/569848072.db2.gz KMMQLZZSBAWRJE-LEWJYISDSA-N 1 1 499.866 5.676 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982926 569848077 /nfs/dbraw/zinc/84/80/77/569848077.db2.gz SWNZNXGTFRGEGF-VQTJNVASSA-N 1 1 483.411 5.304 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982579 569848097 /nfs/dbraw/zinc/84/80/97/569848097.db2.gz OYUIYUCASGMLEV-XZOQPEGZSA-N 1 1 465.421 5.022 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104983552 569848147 /nfs/dbraw/zinc/84/81/47/569848147.db2.gz COFSQBMBRVFWIL-JWQCQUIFSA-N 1 1 479.020 5.392 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104983552 569848148 /nfs/dbraw/zinc/84/81/48/569848148.db2.gz COFSQBMBRVFWIL-JWQCQUIFSA-N 1 1 479.020 5.392 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983322 569848177 /nfs/dbraw/zinc/84/81/77/569848177.db2.gz RIPCMAMKJDPCII-LOSJGSFVSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983322 569848179 /nfs/dbraw/zinc/84/81/79/569848179.db2.gz RIPCMAMKJDPCII-LOSJGSFVSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983220 569848182 /nfs/dbraw/zinc/84/81/82/569848182.db2.gz RHACFTACZGPOCZ-LOSJGSFVSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983220 569848183 /nfs/dbraw/zinc/84/81/83/569848183.db2.gz RHACFTACZGPOCZ-LOSJGSFVSA-N 1 1 482.983 5.223 50 0 JKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984527 569848511 /nfs/dbraw/zinc/84/85/11/569848511.db2.gz UTSUGQKVIRSYTD-JTHBVZDNSA-N 1 1 485.411 5.429 50 0 JKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984527 569848512 /nfs/dbraw/zinc/84/85/12/569848512.db2.gz UTSUGQKVIRSYTD-JTHBVZDNSA-N 1 1 485.411 5.429 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984470 569848517 /nfs/dbraw/zinc/84/85/17/569848517.db2.gz YJTPIWWAYKDABW-RTBURBONSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984470 569848518 /nfs/dbraw/zinc/84/85/18/569848518.db2.gz YJTPIWWAYKDABW-RTBURBONSA-N 1 1 465.421 5.165 50 0 JKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985065 569848692 /nfs/dbraw/zinc/84/86/92/569848692.db2.gz STDWCEGNPNAXQV-ILBGXUMGSA-N 1 1 485.411 5.429 50 0 JKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985065 569848693 /nfs/dbraw/zinc/84/86/93/569848693.db2.gz STDWCEGNPNAXQV-ILBGXUMGSA-N 1 1 485.411 5.429 50 0 JKAAMO Cc1cccc(C[N@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@@H](O)COC(C)C)c1 ZINC000104999507 569849024 /nfs/dbraw/zinc/84/90/24/569849024.db2.gz QIWRTWKMXNEHGY-RUZDIDTESA-N 1 1 465.638 5.283 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105006839 569849923 /nfs/dbraw/zinc/84/99/23/569849923.db2.gz YNYGAYHNKRAINX-GGAORHGYSA-N 1 1 481.637 5.234 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000105008572 569850249 /nfs/dbraw/zinc/85/02/49/569850249.db2.gz QXAQDCYNPIVUGC-PXDATVDWSA-N 1 1 483.628 5.890 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@H](C)CC ZINC000105008827 569850322 /nfs/dbraw/zinc/85/03/22/569850322.db2.gz DJXZBNVSSCHMDO-DENIHFKCSA-N 1 1 455.574 5.110 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105011387 569850828 /nfs/dbraw/zinc/85/08/28/569850828.db2.gz WTAKVRIEVMBHGD-ZJSXRUAMSA-N 1 1 451.611 5.279 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105011937 569850846 /nfs/dbraw/zinc/85/08/46/569850846.db2.gz ZQRJAOLFBFJXNK-FYYLOGMGSA-N 1 1 451.611 5.186 50 0 JKAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1C)C(=O)C(C)C ZINC000105018689 569851228 /nfs/dbraw/zinc/85/12/28/569851228.db2.gz XPEYLXKWZFOJEJ-DHLKQENFSA-N 1 1 476.583 5.360 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000105018847 569851270 /nfs/dbraw/zinc/85/12/70/569851270.db2.gz YDVAVRUXNFOTJQ-FYYLOGMGSA-N 1 1 458.593 5.330 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000105034026 569851413 /nfs/dbraw/zinc/85/14/13/569851413.db2.gz WFKVJXIUNROEBO-KPURRNSFSA-N 1 1 454.614 5.436 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000105023278 569851455 /nfs/dbraw/zinc/85/14/55/569851455.db2.gz WEXYDHIQPYZQSU-LHGWWSMPSA-N 1 1 498.667 5.595 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccccc4)cc3[C@H]2c2ccccc2)c1 ZINC000105023125 569851470 /nfs/dbraw/zinc/85/14/70/569851470.db2.gz DREKGJYPYNMQQH-NLGDKJDOSA-N 1 1 490.647 6.226 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041776 569851564 /nfs/dbraw/zinc/85/15/64/569851564.db2.gz ZILLPNFYGNAFRY-AHWVRZQESA-N 1 1 462.584 6.040 50 0 JKAAMO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)ccc1O ZINC000105042190 569851567 /nfs/dbraw/zinc/85/15/67/569851567.db2.gz GVYLDOMJLRWJFL-VPUSJEBWSA-N 1 1 490.619 5.554 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105041738 569851582 /nfs/dbraw/zinc/85/15/82/569851582.db2.gz BJRHMOPPKLTLLP-KCWPFWIISA-N 1 1 480.649 5.910 50 0 JKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000105042028 569851595 /nfs/dbraw/zinc/85/15/95/569851595.db2.gz YZTWRCXSUHPZBH-CUBQBAPOSA-N 1 1 462.609 6.110 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C3CCCCC3)[C@H](c3ccccc3C)C2)c1 ZINC000105041728 569851606 /nfs/dbraw/zinc/85/16/06/569851606.db2.gz BBKBBTKIUNGKKV-GMCHKSTQSA-N 1 1 496.695 6.694 50 0 JKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C)n2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000105042145 569851611 /nfs/dbraw/zinc/85/16/11/569851611.db2.gz HYBPGDRJOJZFDT-NAKRPHOHSA-N 1 1 471.645 5.413 50 0 JKAAMO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000105041721 569851672 /nfs/dbraw/zinc/85/16/72/569851672.db2.gz SJIURQUFXQNXTF-WNJJXGMVSA-N 1 1 486.725 7.056 50 0 JKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)oc1C ZINC000105042180 569851689 /nfs/dbraw/zinc/85/16/89/569851689.db2.gz FJOVDSHYEBCOSH-LBNVMWSVSA-N 1 1 462.609 6.050 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105042713 569851829 /nfs/dbraw/zinc/85/18/29/569851829.db2.gz PKLOIWUEXNKRKI-YZNIXAGQSA-N 1 1 490.619 5.416 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cc(C)c(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042295 569851835 /nfs/dbraw/zinc/85/18/35/569851835.db2.gz VTRYEKFMEUKFQE-UFHPHHKVSA-N 1 1 464.581 5.308 50 0 JKAAMO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677371 569868602 /nfs/dbraw/zinc/86/86/02/569868602.db2.gz BCYNWSGEAWBBGC-NOZRDPDXSA-N 1 1 471.567 5.017 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169677801 569868865 /nfs/dbraw/zinc/86/88/65/569868865.db2.gz KVAVRNVXBLSTPT-RCZVLFRGSA-N 1 1 479.665 6.058 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000169677836 569868871 /nfs/dbraw/zinc/86/88/71/569868871.db2.gz HZOWYFLPMBRRRR-NFBKMPQASA-N 1 1 469.601 5.499 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677729 569868885 /nfs/dbraw/zinc/86/88/85/569868885.db2.gz DPFNBUONIKTKMH-RSXGOPAZSA-N 1 1 497.536 5.389 50 0 JKAAMO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1cccc(Cl)c1 ZINC000169677798 569868946 /nfs/dbraw/zinc/86/89/46/569868946.db2.gz OIQJEPXUSCFJHB-ZODMCCGTSA-N 1 1 468.041 5.021 50 0 JKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169678897 569869430 /nfs/dbraw/zinc/86/94/30/569869430.db2.gz GKXVODVNFXJNHU-ZTOMLWHTSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169678897 569869431 /nfs/dbraw/zinc/86/94/31/569869431.db2.gz GKXVODVNFXJNHU-ZTOMLWHTSA-N 1 1 493.717 5.034 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679822 569869931 /nfs/dbraw/zinc/86/99/31/569869931.db2.gz GNOYEOYBGUZXFS-IRPSRAIASA-N 1 1 492.610 5.987 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679805 569869952 /nfs/dbraw/zinc/86/99/52/569869952.db2.gz OYTMRPUISWKNIR-NAKRPHOHSA-N 1 1 492.610 5.987 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000169679908 569869970 /nfs/dbraw/zinc/86/99/70/569869970.db2.gz OQDYENVDNVDKFF-WNCULLNHSA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1ccc(CN2C[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000169679908 569869971 /nfs/dbraw/zinc/86/99/71/569869971.db2.gz OQDYENVDNVDKFF-WNCULLNHSA-N 1 1 483.578 5.645 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169680008 569870060 /nfs/dbraw/zinc/87/00/60/569870060.db2.gz UFVXQFREMLIJOW-SQJMNOBHSA-N 1 1 483.628 5.746 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680015 569870098 /nfs/dbraw/zinc/87/00/98/569870098.db2.gz QZNCKAWIYKWUHU-ISKFKSNPSA-N 1 1 465.638 5.574 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169680304 569870286 /nfs/dbraw/zinc/87/02/86/569870286.db2.gz WWYBGCOBSRODMY-WMZHIEFXSA-N 1 1 487.591 5.638 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169680303 569870344 /nfs/dbraw/zinc/87/03/44/569870344.db2.gz WWYBGCOBSRODMY-AUSIDOKSSA-N 1 1 487.591 5.638 50 0 JKAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)c2ccccc2)C(C)C)cc1 ZINC000169680397 569870500 /nfs/dbraw/zinc/87/05/00/569870500.db2.gz FTHUOKLLJSABJL-IZZNHLLZSA-N 1 1 478.658 5.005 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680606 569870562 /nfs/dbraw/zinc/87/05/62/569870562.db2.gz NHZSDIKWFHMHAA-GBXCKJPGSA-N 1 1 483.628 5.889 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680768 569870591 /nfs/dbraw/zinc/87/05/91/569870591.db2.gz UIQNIYLUCHZNAC-MUAVYFROSA-N 1 1 495.733 5.424 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169680962 569870707 /nfs/dbraw/zinc/87/07/07/569870707.db2.gz TXMMEXQAGLJBND-HOFKKMOUSA-N 1 1 499.655 6.186 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169681988 569871031 /nfs/dbraw/zinc/87/10/31/569871031.db2.gz CJHGTQUQRFRYBS-OZXSUGGESA-N 1 1 499.655 6.092 50 0 JKAAMO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)C2)cc1 ZINC000225076181 569973510 /nfs/dbraw/zinc/97/35/10/569973510.db2.gz KLKMGKMLPXUKOM-IRPSRAIASA-N 1 1 476.592 5.107 50 0 JKAAMO CC(C)c1ccc(/C=C2/c3ccccc3N(C[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000226762861 570038392 /nfs/dbraw/zinc/03/83/92/570038392.db2.gz RVEHJIMXFYBNSK-ANYBSYGZSA-N 1 1 450.626 6.609 50 0 JKAAMO S=c1n(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999397 570043382 /nfs/dbraw/zinc/04/33/82/570043382.db2.gz SZCSMJCCQBHWHP-IFMALSPDSA-N 1 1 462.619 5.470 50 0 JKAAMO S=c1n(C[N@H+]2CCC[C@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999397 570043384 /nfs/dbraw/zinc/04/33/84/570043384.db2.gz SZCSMJCCQBHWHP-IFMALSPDSA-N 1 1 462.619 5.470 50 0 JKAAMO C[NH+](C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1ccc(F)cc1F ZINC000238901294 570047700 /nfs/dbraw/zinc/04/77/00/570047700.db2.gz LENSORWZQRMCAE-JOCHJYFZSA-N 1 1 471.511 5.945 50 0 JKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000239173862 570049183 /nfs/dbraw/zinc/04/91/83/570049183.db2.gz OVNOSJCTSBMTDI-WWEDSPNTSA-N 1 1 497.466 6.268 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[NH2+][C@H](c3cc(OC)ccc3OC)[C@@H](C)[C@@](O)(c3ccc(F)cc3)[C@H]2C)c1 ZINC000239425866 570052032 /nfs/dbraw/zinc/05/20/32/570052032.db2.gz VJYRHMWHMJCQEM-VZMDVMMWSA-N 1 1 495.591 5.406 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000241515684 570053349 /nfs/dbraw/zinc/05/33/49/570053349.db2.gz OHAHKJBMFRDHIX-RZFKFIIISA-N 1 1 484.084 5.485 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000241515684 570053350 /nfs/dbraw/zinc/05/33/50/570053350.db2.gz OHAHKJBMFRDHIX-RZFKFIIISA-N 1 1 484.084 5.485 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000241961267 570053488 /nfs/dbraw/zinc/05/34/88/570053488.db2.gz UQUPHQTUZODOGA-LPPUWEFUSA-N 1 1 469.069 6.392 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000241961268 570053528 /nfs/dbraw/zinc/05/35/28/570053528.db2.gz UQUPHQTUZODOGA-MZBJOSPHSA-N 1 1 469.069 6.392 50 0 JKAAMO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+]2CCCC[C@H]2C)C3=O)s1 ZINC000245237315 570057238 /nfs/dbraw/zinc/05/72/38/570057238.db2.gz YXSDNEDKHWKLFG-NGOKVRLYSA-N 1 1 498.737 5.193 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245241272 570058427 /nfs/dbraw/zinc/05/84/27/570058427.db2.gz ZTUJHODJTRLSFY-SKCUWOTOSA-N 1 1 498.737 5.411 50 0 JKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)N[C@H](C)c3ccccc3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000245279546 570061475 /nfs/dbraw/zinc/06/14/75/570061475.db2.gz HVCVFPRPDMCTRX-LPPUWEFUSA-N 1 1 490.619 5.634 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280822 570062121 /nfs/dbraw/zinc/06/21/21/570062121.db2.gz UAZJPEQUPOXSCK-ZEQKJWHPSA-N 1 1 479.621 5.124 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280822 570062122 /nfs/dbraw/zinc/06/21/22/570062122.db2.gz UAZJPEQUPOXSCK-ZEQKJWHPSA-N 1 1 479.621 5.124 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245281434 570062339 /nfs/dbraw/zinc/06/23/39/570062339.db2.gz ZFNUUQNUIXILHA-RCZVLFRGSA-N 1 1 472.695 5.070 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245309155 570062892 /nfs/dbraw/zinc/06/28/92/570062892.db2.gz BRYMWRQCRUSLGF-CGXNFDGLSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309155 570062893 /nfs/dbraw/zinc/06/28/93/570062893.db2.gz BRYMWRQCRUSLGF-CGXNFDGLSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000245313090 570063849 /nfs/dbraw/zinc/06/38/49/570063849.db2.gz ZWUOJRFJVADCIJ-YDEXJNAISA-N 1 1 493.736 5.290 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245325482 570064283 /nfs/dbraw/zinc/06/42/83/570064283.db2.gz AEDVPEYTTPAATJ-SKCUWOTOSA-N 1 1 481.706 5.115 50 0 JKAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000245325561 570064301 /nfs/dbraw/zinc/06/43/01/570064301.db2.gz AVTYXMFEUXFNJY-JYFHCDHNSA-N 1 1 484.706 5.249 50 0 JKAAMO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)c1ccccc1 ZINC000245327404 570065126 /nfs/dbraw/zinc/06/51/26/570065126.db2.gz IXCDXDHWHHYENL-SXOMAYOGSA-N 1 1 492.685 5.432 50 0 JKAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)c1ccccc1 ZINC000245327404 570065127 /nfs/dbraw/zinc/06/51/27/570065127.db2.gz IXCDXDHWHHYENL-SXOMAYOGSA-N 1 1 492.685 5.432 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000245330139 570066530 /nfs/dbraw/zinc/06/65/30/570066530.db2.gz XOVCGJQEXIUTHS-HOFKKMOUSA-N 1 1 463.597 5.176 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000247884860 570070634 /nfs/dbraw/zinc/07/06/34/570070634.db2.gz SLUROFLKXDYWOD-BHBYDHKZSA-N 1 1 488.647 6.157 50 0 JKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247966425 570071886 /nfs/dbraw/zinc/07/18/86/570071886.db2.gz BTRKLAUCLBCPNJ-HOFKKMOUSA-N 1 1 466.547 5.870 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248081820 570073516 /nfs/dbraw/zinc/07/35/16/570073516.db2.gz JTRCTKGLALVKMT-AHKZPQOWSA-N 1 1 461.049 6.415 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C)s3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248080187 570073613 /nfs/dbraw/zinc/07/36/13/570073613.db2.gz IPFPRJRUGNFKEG-WNCULLNHSA-N 1 1 466.622 5.469 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248077422 570073618 /nfs/dbraw/zinc/07/36/18/570073618.db2.gz IRXHKOJMANALLP-QSEAXJEQSA-N 1 1 495.733 5.280 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248090929 570073701 /nfs/dbraw/zinc/07/37/01/570073701.db2.gz MJQANANUZJIAJD-RPLLCQBOSA-N 1 1 462.584 6.040 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248086066 570073767 /nfs/dbraw/zinc/07/37/67/570073767.db2.gz KTGJEFKJOTUTIS-NEKDWFFYSA-N 1 1 495.733 5.281 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248086066 570073768 /nfs/dbraw/zinc/07/37/68/570073768.db2.gz KTGJEFKJOTUTIS-NEKDWFFYSA-N 1 1 495.733 5.281 50 0 JKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248097288 570073896 /nfs/dbraw/zinc/07/38/96/570073896.db2.gz OAULFGPORZLVKB-SVBPBHIXSA-N 1 1 470.613 5.490 50 0 JKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000248109773 570074177 /nfs/dbraw/zinc/07/41/77/570074177.db2.gz QIVDMJRNBXCIBP-HOFKKMOUSA-N 1 1 478.608 5.750 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000248118416 570074443 /nfs/dbraw/zinc/07/44/43/570074443.db2.gz WEPZPXQYSUXPIO-SKCUWOTOSA-N 1 1 481.706 5.034 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000248118416 570074444 /nfs/dbraw/zinc/07/44/44/570074444.db2.gz WEPZPXQYSUXPIO-SKCUWOTOSA-N 1 1 481.706 5.034 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248130900 570075013 /nfs/dbraw/zinc/07/50/13/570075013.db2.gz YPZOZTHPMMIFSS-XDFJSJKPSA-N 1 1 496.695 6.438 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248216749 570076296 /nfs/dbraw/zinc/07/62/96/570076296.db2.gz GNOYEOYBGUZXFS-SVEHJYQDSA-N 1 1 492.610 5.987 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248206862 570076351 /nfs/dbraw/zinc/07/63/51/570076351.db2.gz BJRHMOPPKLTLLP-HOFKKMOUSA-N 1 1 480.649 5.910 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248245859 570076587 /nfs/dbraw/zinc/07/65/87/570076587.db2.gz LWLHMMLMCJRQTI-UPVQGACJSA-N 1 1 458.593 5.330 50 0 JKAAMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252441509 570080601 /nfs/dbraw/zinc/08/06/01/570080601.db2.gz ZRQKIWOCYULNCN-GXNNKDHRSA-N 1 1 455.683 5.942 50 0 JKAAMO CC(C)c1ccc2nc(-c3ccncc3)cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000253413536 570098226 /nfs/dbraw/zinc/09/82/26/570098226.db2.gz VAXLQYZJRKXOAC-NEKDWFFYSA-N 1 1 456.634 5.757 50 0 biogenic JKAAMO ClC1=CC[C@H]2CN(CN(CC[N@@H+]3C[C@H]4CC=C(Cl)C[C@@H]4C3)Cc3ccccc3)C[C@H]2C1 ZINC000253487480 570099872 /nfs/dbraw/zinc/09/98/72/570099872.db2.gz KUGQIPDYEXNCQQ-UEQSERJNSA-N 1 1 460.493 5.375 50 0 JKAAMO ClC1=CC[C@H]2CN(CN(CC[N@H+]3C[C@H]4CC=C(Cl)C[C@@H]4C3)Cc3ccccc3)C[C@H]2C1 ZINC000253487480 570099873 /nfs/dbraw/zinc/09/98/73/570099873.db2.gz KUGQIPDYEXNCQQ-UEQSERJNSA-N 1 1 460.493 5.375 50 0 JKAAMO CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505761 570102677 /nfs/dbraw/zinc/10/26/77/570102677.db2.gz LLKWFOGYGSHBRH-PTYOSXFTSA-N 1 1 497.764 6.680 50 0 biogenic JKAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1CCc1ccccc1 ZINC000263585756 570171387 /nfs/dbraw/zinc/17/13/87/570171387.db2.gz MCGSDYVLVJDIDT-XZOQPEGZSA-N 1 1 462.663 5.056 50 0 biogenic JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000651514 193877031 /nfs/dbraw/zinc/87/70/31/193877031.db2.gz PUFVDCJAVAZKSL-RPWUZVMVSA-N 1 1 460.896 5.292 50 0 JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001073197 194016791 /nfs/dbraw/zinc/01/67/91/194016791.db2.gz ISTQUAPICYMORV-ZFWWWQNUSA-N 1 1 482.890 5.083 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)c1 ZINC000002974851 194190423 /nfs/dbraw/zinc/19/04/23/194190423.db2.gz SQMWKLJPJNOPOD-UHFFFAOYSA-N 1 1 475.596 5.731 50 0 JKAAMO C[N@@H+](CCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040003 194214974 /nfs/dbraw/zinc/21/49/74/194214974.db2.gz OBUVYLOPUSMIKA-UHFFFAOYSA-N 1 1 462.018 5.901 50 0 JKAAMO CC[N@@H+](Cc1ccccc1)Cn1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2oc1=S ZINC000003230783 194245808 /nfs/dbraw/zinc/24/58/08/194245808.db2.gz LTRIVPFMTPIILL-UHFFFAOYSA-N 1 1 488.034 5.898 50 0 JKAAMO CC[N@H+](Cc1ccccc1)Cn1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2oc1=S ZINC000003230783 194245811 /nfs/dbraw/zinc/24/58/11/194245811.db2.gz LTRIVPFMTPIILL-UHFFFAOYSA-N 1 1 488.034 5.898 50 0 JKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000003317870 194279450 /nfs/dbraw/zinc/27/94/50/194279450.db2.gz HLELGMGGZFAHET-FYYLOGMGSA-N 1 1 458.911 6.706 50 0 JKAAMO COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647486 194348774 /nfs/dbraw/zinc/34/87/74/194348774.db2.gz QFCDEXXJIIOIJK-NRFANRHFSA-N 1 1 484.419 5.506 50 0 JKAAMO COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000003647486 194348775 /nfs/dbraw/zinc/34/87/75/194348775.db2.gz QFCDEXXJIIOIJK-NRFANRHFSA-N 1 1 484.419 5.506 50 0 JKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000008426683 194444081 /nfs/dbraw/zinc/44/40/81/194444081.db2.gz KQJPJYYQRQZVAG-XZOQPEGZSA-N 1 1 481.770 6.451 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406635 194747176 /nfs/dbraw/zinc/74/71/76/194747176.db2.gz AJDVGMWBTYSPEP-BGYRXZFFSA-N 1 1 490.673 5.713 50 0 JKAAMO CCC[N@H+](CC1CC1)Cn1nc(COc2ccc(CC)cc2)n([C@@H](C)CCCC(C)C)c1=S ZINC000012659699 195079679 /nfs/dbraw/zinc/07/96/79/195079679.db2.gz IEMSEXKIXMPXFZ-QFIPXVFZSA-N 1 1 472.743 7.022 50 0 JKAAMO CCC[N@@H+](CC1CC1)Cn1nc(COc2ccc(CC)cc2)n([C@@H](C)CCCC(C)C)c1=S ZINC000012659699 195079680 /nfs/dbraw/zinc/07/96/80/195079680.db2.gz IEMSEXKIXMPXFZ-QFIPXVFZSA-N 1 1 472.743 7.022 50 0 JKAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012753426 195107372 /nfs/dbraw/zinc/10/73/72/195107372.db2.gz XJUFQXPOQZSGTB-AWEZNQCLSA-N 1 1 453.892 5.037 50 0 JKAAMO Cc1c(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2oc1-c1ccccc1 ZINC000012784898 195127135 /nfs/dbraw/zinc/12/71/35/195127135.db2.gz KAQYDXCPOZRQLR-QFIPXVFZSA-N 1 1 458.583 5.397 50 0 JKAAMO Cc1c(=O)c2cccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2oc1-c1ccccc1 ZINC000012784894 195127156 /nfs/dbraw/zinc/12/71/56/195127156.db2.gz KAQYDXCPOZRQLR-JOCHJYFZSA-N 1 1 458.583 5.397 50 0 JKAAMO 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Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000096281485 130027689 /nfs/dbraw/zinc/02/76/89/130027689.db2.gz FKVFSQUXNBZVRO-IGKIAQTJSA-N 1 1 480.555 5.341 50 0 JKAAMO Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@H]2CCCO2)c1 ZINC000096281486 130027736 /nfs/dbraw/zinc/02/77/36/130027736.db2.gz FKVFSQUXNBZVRO-SQHAQQRYSA-N 1 1 480.555 5.341 50 0 JKAAMO CCC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn32)CC1 ZINC000096287428 130030705 /nfs/dbraw/zinc/03/07/05/130030705.db2.gz LETLJWMZZZKYPR-UHFFFAOYSA-N 1 1 452.602 5.339 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000096287534 130030822 /nfs/dbraw/zinc/03/08/22/130030822.db2.gz BMJXEMXRBKOISY-GDLZYMKVSA-N 1 1 495.667 5.693 50 0 JKAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1 ZINC000096288084 130031537 /nfs/dbraw/zinc/03/15/37/130031537.db2.gz LAAYNDLOTNYECS-OAQYLSRUSA-N 1 1 459.421 5.049 50 0 JKAAMO 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O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146553 526291944 /nfs/dbraw/zinc/29/19/44/526291944.db2.gz STDWCEGNPNAXQV-ZCYQVOJMSA-N 1 1 485.411 5.429 50 0 JKAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052731 526295326 /nfs/dbraw/zinc/29/53/26/526295326.db2.gz UWHPPNNSEHKNJC-UHFFFAOYSA-N 1 1 476.580 5.365 50 0 JKAAMO O=C(C1CCCCC1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014997058 526298137 /nfs/dbraw/zinc/29/81/37/526298137.db2.gz SEZDYVPJCDCTBK-RUZDIDTESA-N 1 1 493.667 5.346 50 0 JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCn3c4ccccc4c4c3CCCC4)CC2)cc1 ZINC000022454846 526461173 /nfs/dbraw/zinc/46/11/73/526461173.db2.gz RKGIYNPEDJDYBD-UHFFFAOYSA-N 1 1 463.669 6.317 50 0 JKAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000014995602 526496048 /nfs/dbraw/zinc/49/60/48/526496048.db2.gz FRJRDFBRZUCSHA-JDXGNMNLSA-N 1 1 481.571 5.452 50 0 JKAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000065006422 526567467 /nfs/dbraw/zinc/56/74/67/526567467.db2.gz RJPQGASFTKJULD-UHFFFAOYSA-N 1 1 496.721 5.050 50 0 JKAAMO O=C(c1cc(-c2cccc(Br)c2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522541 526590151 /nfs/dbraw/zinc/59/01/51/526590151.db2.gz DQRIIYAXFOYPQR-UHFFFAOYSA-N 1 1 486.413 5.622 50 0 JKAAMO O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022714036 526603730 /nfs/dbraw/zinc/60/37/30/526603730.db2.gz NXOZXYSPOAEOPM-UHFFFAOYSA-N 1 1 477.612 5.133 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597734 526730957 /nfs/dbraw/zinc/73/09/57/526730957.db2.gz MXHDFRPGNGNUON-IBGZPJMESA-N 1 1 458.389 5.485 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597865 526734474 /nfs/dbraw/zinc/73/44/74/526734474.db2.gz VXBAEEYLXOPFII-IBGZPJMESA-N 1 1 458.389 5.485 50 0 JKAAMO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796427 526793726 /nfs/dbraw/zinc/79/37/26/526793726.db2.gz XEFZVQLIZYVOHS-UHFFFAOYSA-N 1 1 477.543 5.189 50 0 JKAAMO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000021796787 526830561 /nfs/dbraw/zinc/83/05/61/526830561.db2.gz SIFDPIBICPRNEL-UHFFFAOYSA-N 1 1 483.959 5.296 50 0 JKAAMO O=C1CC[C@@H]2C[N@H+](C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000014985491 526993745 /nfs/dbraw/zinc/99/37/45/526993745.db2.gz IKMKYPDJOHHQOM-VWMCOUNYSA-N 1 1 462.943 5.798 50 0 JKAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020406565 527018527 /nfs/dbraw/zinc/01/85/27/527018527.db2.gz ZXPQRKASESPIBB-GOSISDBHSA-N 1 1 477.870 5.012 50 0 JKAAMO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000033552238 527098798 /nfs/dbraw/zinc/09/87/98/527098798.db2.gz PMOQBBXKQBDKNP-MUUNZHRXSA-N 1 1 499.630 5.189 50 0 JKAAMO O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C3(O)CC[NH+](Cc4c(F)cccc4F)CC3)ccc2o1 ZINC000012338172 527195826 /nfs/dbraw/zinc/19/58/26/527195826.db2.gz XPLCLLKFWIDHED-UHFFFAOYSA-N 1 1 498.476 5.725 50 0 JKAAMO O=S(=O)(N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000020441816 527235915 /nfs/dbraw/zinc/23/59/15/527235915.db2.gz ZTYVUZQQMXWRKW-PKTZIBPZSA-N 1 1 451.032 5.357 50 0 JKAAMO O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000033292753 527286486 /nfs/dbraw/zinc/28/64/86/527286486.db2.gz GTWJBZVGJQVICT-UHFFFAOYSA-N 1 1 482.540 5.154 50 0 JKAAMO OC(c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1)(c1cccs1)c1cccs1 ZINC000036203045 527503292 /nfs/dbraw/zinc/50/32/92/527503292.db2.gz VFLMURDLXQBMQZ-NRFANRHFSA-N 1 1 483.630 6.007 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1)(c1cccs1)c1cccs1 ZINC000036203045 527503299 /nfs/dbraw/zinc/50/32/99/527503299.db2.gz VFLMURDLXQBMQZ-NRFANRHFSA-N 1 1 483.630 6.007 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145505 527503738 /nfs/dbraw/zinc/50/37/38/527503738.db2.gz PPFLGTQZKKZBFJ-MHZLTWQESA-N 1 1 453.582 5.745 50 0 JKAAMO OC(c1ccc(C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036202727 527503805 /nfs/dbraw/zinc/50/38/05/527503805.db2.gz REKFMEDFCYBOAE-VWLOTQADSA-N 1 1 459.611 5.807 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2ccsc2)C[C@@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036202727 527503806 /nfs/dbraw/zinc/50/38/06/527503806.db2.gz REKFMEDFCYBOAE-VWLOTQADSA-N 1 1 459.611 5.807 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145506 527503990 /nfs/dbraw/zinc/50/39/90/527503990.db2.gz PPFLGTQZKKZBFJ-HHHXNRCGSA-N 1 1 453.582 5.745 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346580 527528529 /nfs/dbraw/zinc/52/85/29/527528529.db2.gz QYISATQGIOHHCC-JOCHJYFZSA-N 1 1 473.564 5.248 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307778 527538205 /nfs/dbraw/zinc/53/82/05/527538205.db2.gz NXNPEDUNMQAMML-SANMLTNESA-N 1 1 485.603 5.834 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccccc1F ZINC000036306888 527538241 /nfs/dbraw/zinc/53/82/41/527538241.db2.gz DDFMTUFLENFMDY-QFIPXVFZSA-N 1 1 481.612 5.407 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1ccccc1 ZINC000036308135 527538280 /nfs/dbraw/zinc/53/82/80/527538280.db2.gz AMOSRHBVDYTZBK-SANMLTNESA-N 1 1 493.607 6.078 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1ccccc1 ZINC000036308135 527538282 /nfs/dbraw/zinc/53/82/82/527538282.db2.gz AMOSRHBVDYTZBK-SANMLTNESA-N 1 1 493.607 6.078 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1ccccc1 ZINC000036308169 527538402 /nfs/dbraw/zinc/53/84/02/527538402.db2.gz UPWSFPOXBAXTRR-HSZRJFAPSA-N 1 1 489.616 5.651 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1ccccc1 ZINC000036308169 527538406 /nfs/dbraw/zinc/53/84/06/527538406.db2.gz UPWSFPOXBAXTRR-HSZRJFAPSA-N 1 1 489.616 5.651 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307804 527538758 /nfs/dbraw/zinc/53/87/58/527538758.db2.gz YGPILDRPHYKMEJ-QHCPKHFHSA-N 1 1 481.612 5.407 50 0 JKAAMO O=C(Nc1sc2c(c1[C@H](c1ccncc1)[NH+]1CCN(c3ccccc3)CC1)CCCC2)c1ccco1 ZINC000038546635 527541275 /nfs/dbraw/zinc/54/12/75/527541275.db2.gz OKFUIOSWDKSAEL-MHZLTWQESA-N 1 1 498.652 5.779 50 0 JKAAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCO2)c1c(Cl)cc(Cl)cc1Cl ZINC000022667700 527545042 /nfs/dbraw/zinc/54/50/42/527545042.db2.gz OVTGBHFZARKHAN-MQVJKMGUSA-N 1 1 467.780 5.301 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036304101 527548743 /nfs/dbraw/zinc/54/87/43/527548743.db2.gz WRGLANXIYXGYJN-QFIPXVFZSA-N 1 1 473.564 5.248 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036304270 527548844 /nfs/dbraw/zinc/54/88/44/527548844.db2.gz GLODMFCMPDQEDQ-XMMPIXPASA-N 1 1 499.602 5.497 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036303963 527549256 /nfs/dbraw/zinc/54/92/56/527549256.db2.gz ACOAMFZBUDDCJG-QHCPKHFHSA-N 1 1 487.591 5.495 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036304796 527550035 /nfs/dbraw/zinc/55/00/35/527550035.db2.gz LTDMMPARNXPNNL-HHHXNRCGSA-N 1 1 467.613 5.849 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036304801 527550150 /nfs/dbraw/zinc/55/01/50/527550150.db2.gz AKJPTOSBRSKDCG-VWLOTQADSA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036304801 527550155 /nfs/dbraw/zinc/55/01/55/527550155.db2.gz AKJPTOSBRSKDCG-VWLOTQADSA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036303606 527550296 /nfs/dbraw/zinc/55/02/96/527550296.db2.gz LWXXCYMDIHWFQF-QHCPKHFHSA-N 1 1 498.067 6.014 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304901 527551032 /nfs/dbraw/zinc/55/10/32/527551032.db2.gz HKNTUQHQLFCKCW-NDEPHWFRSA-N 1 1 481.640 6.097 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036304767 527551045 /nfs/dbraw/zinc/55/10/45/527551045.db2.gz FSANNWXHHGMJLU-XMMPIXPASA-N 1 1 465.638 5.668 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036308650 527551158 /nfs/dbraw/zinc/55/11/58/527551158.db2.gz VKARQJCVQPGBAU-MUUNZHRXSA-N 1 1 453.586 5.919 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146013 527657906 /nfs/dbraw/zinc/65/79/06/527657906.db2.gz FJQSLRIQSZZVLE-FTJBHMTQSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156221 527658322 /nfs/dbraw/zinc/65/83/22/527658322.db2.gz BHXBPVFZFXHRFJ-RUZDIDTESA-N 1 1 487.600 5.115 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156221 527658327 /nfs/dbraw/zinc/65/83/27/527658327.db2.gz BHXBPVFZFXHRFJ-RUZDIDTESA-N 1 1 487.600 5.115 50 0 JKAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146370 527664379 /nfs/dbraw/zinc/66/43/79/527664379.db2.gz VLFVYSKZIPNLLA-GOTSBHOMSA-N 1 1 487.402 5.731 50 0 JKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)C(C)C)CC4)n3c2)c1 ZINC000096289046 535445279 /nfs/dbraw/zinc/44/52/79/535445279.db2.gz SSPMRJOWCUIJPT-UHFFFAOYSA-N 1 1 496.655 5.676 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccc(Cl)cc4C)cn32)CC1 ZINC000096289677 535614867 /nfs/dbraw/zinc/61/48/67/535614867.db2.gz DXHLIZIYAWPCEW-UHFFFAOYSA-N 1 1 487.047 5.727 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(F)cc2)CC1 ZINC000096276883 535619443 /nfs/dbraw/zinc/61/94/43/535619443.db2.gz GKJFSQUHEHQGIY-NDEPHWFRSA-N 1 1 499.630 5.523 50 0 JKAAMO COc1ccccc1CCNC(=O)c1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C)s2)o1 ZINC000096281058 537039107 /nfs/dbraw/zinc/03/91/07/537039107.db2.gz NNMIGSQPYVTZJL-UHFFFAOYSA-N 1 1 454.636 5.679 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000000634004 553720177 /nfs/dbraw/zinc/72/01/77/553720177.db2.gz WFNXXZHOFNWERT-DQEYMECFSA-N 1 1 456.933 5.461 50 0 JKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(SC)cc2)c1 ZINC000000635880 553720994 /nfs/dbraw/zinc/72/09/94/553720994.db2.gz NOLONPAFQYONIQ-DQEYMECFSA-N 1 1 454.555 5.221 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1cccc(Br)c1 ZINC000000682830 553754624 /nfs/dbraw/zinc/75/46/24/553754624.db2.gz VCPJOSLAPPPDGI-DENIHFKCSA-N 1 1 471.395 5.123 50 0 JKAAMO COc1cc2c(cc1OC)C1(CCOCC1)C[N@@H+](CC[C@@H](c1ccccc1)c1ccccc1O)C2 ZINC000000755129 553777516 /nfs/dbraw/zinc/77/75/16/553777516.db2.gz PJAQNPHFXJNCAR-DEOSSOPVSA-N 1 1 473.613 5.495 50 0 JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000978059 553890004 /nfs/dbraw/zinc/89/00/04/553890004.db2.gz OFMRCMZEVATFDR-YOEHRIQHSA-N 1 1 480.968 5.167 50 0 JKAAMO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002090956 554034424 /nfs/dbraw/zinc/03/44/24/554034424.db2.gz QEHNLADBQYXELH-KJXAQDMKSA-N 1 1 483.867 5.476 50 0 JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002129637 554059550 /nfs/dbraw/zinc/05/95/50/554059550.db2.gz OXYYGWFHYWELQU-QGPMSJSTSA-N 1 1 454.225 5.047 50 0 JKAAMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000002129685 554059582 /nfs/dbraw/zinc/05/95/82/554059582.db2.gz VRSQERDXHFMAAL-ZNLUXHQJSA-N 1 1 469.840 5.547 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000002224525 554102405 /nfs/dbraw/zinc/10/24/05/554102405.db2.gz XYMKQUXTLNOTIE-FTJBHMTQSA-N 1 1 486.959 5.470 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)cc1OC ZINC000002224360 554102485 /nfs/dbraw/zinc/10/24/85/554102485.db2.gz NNUIZEJUBGXWEP-DQEYMECFSA-N 1 1 490.922 5.301 50 0 JKAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002254955 554118040 /nfs/dbraw/zinc/11/80/40/554118040.db2.gz NEGJPVXFOOJDTG-LEWJYISDSA-N 1 1 463.360 5.315 50 0 JKAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000002254954 554118107 /nfs/dbraw/zinc/11/81/07/554118107.db2.gz NEGJPVXFOOJDTG-RTWAWAEBSA-N 1 1 463.360 5.315 50 0 JKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002255197 554118326 /nfs/dbraw/zinc/11/83/26/554118326.db2.gz LKEULIYCPWQMLE-PKTZIBPZSA-N 1 1 465.315 5.937 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002256663 554119167 /nfs/dbraw/zinc/11/91/67/554119167.db2.gz PJDJOUFJHHJBQN-RPWUZVMVSA-N 1 1 487.357 5.262 50 0 JKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002256864 554119365 /nfs/dbraw/zinc/11/93/65/554119365.db2.gz IBRHTLLRVRHAGH-DNQXCXABSA-N 1 1 471.358 5.562 50 0 JKAAMO CCOC(=O)CN1C(c2ccc(Cl)cc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002281844 554131403 /nfs/dbraw/zinc/13/14/03/554131403.db2.gz NVTKHMHPJCZVBD-HSZRJFAPSA-N 1 1 483.793 6.149 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000002336983 554154210 /nfs/dbraw/zinc/15/42/10/554154210.db2.gz XYLPBLBLMBZSQR-IZLXSDGUSA-N 1 1 480.568 5.631 50 0 JKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002344199 554157843 /nfs/dbraw/zinc/15/78/43/554157843.db2.gz ZIDCZFBBNHQJJV-ZEQRLZLVSA-N 1 1 493.419 6.520 50 0 JKAAMO CC(C)(C)c1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002352506 554162232 /nfs/dbraw/zinc/16/22/32/554162232.db2.gz IEGRHXAVZKSWOP-JLHYYAGUSA-N 1 1 451.618 5.529 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000002362424 554166549 /nfs/dbraw/zinc/16/65/49/554166549.db2.gz LEWTUXVHNKDUEH-QHCPKHFHSA-N 1 1 475.614 5.107 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000002362424 554166550 /nfs/dbraw/zinc/16/65/50/554166550.db2.gz LEWTUXVHNKDUEH-QHCPKHFHSA-N 1 1 475.614 5.107 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000002402501 554186550 /nfs/dbraw/zinc/18/65/50/554186550.db2.gz NQJQCLQLSZOSDA-CLJLJLNGSA-N 1 1 484.581 5.230 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000002409755 554190923 /nfs/dbraw/zinc/19/09/23/554190923.db2.gz SBYSBUXPPSFTJO-HCLMJZEPSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000002409755 554190924 /nfs/dbraw/zinc/19/09/24/554190924.db2.gz SBYSBUXPPSFTJO-HCLMJZEPSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000002419629 554197517 /nfs/dbraw/zinc/19/75/17/554197517.db2.gz JUGCJWPTBXNLDX-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002427369 554202340 /nfs/dbraw/zinc/20/23/40/554202340.db2.gz OOVJLDBCCMSDSC-XZOQPEGZSA-N 1 1 475.321 5.392 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OCC)cc1OC ZINC000002449796 554217149 /nfs/dbraw/zinc/21/71/49/554217149.db2.gz ADDYGOBWLCXWRD-WUFINQPMSA-N 1 1 496.567 5.297 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1Br ZINC000002542257 554233808 /nfs/dbraw/zinc/23/38/08/554233808.db2.gz FZLADBLCBOTVEX-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002542280 554233833 /nfs/dbraw/zinc/23/38/33/554233833.db2.gz NNPCGABVDIDHAE-DNQXCXABSA-N 1 1 458.974 5.866 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000002586870 554238485 /nfs/dbraw/zinc/23/84/85/554238485.db2.gz AWBIKWKSTZCTTB-OAQYLSRUSA-N 1 1 484.419 5.506 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000002586870 554238493 /nfs/dbraw/zinc/23/84/93/554238493.db2.gz AWBIKWKSTZCTTB-OAQYLSRUSA-N 1 1 484.419 5.506 50 0 JKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002714009 554299518 /nfs/dbraw/zinc/29/95/18/554299518.db2.gz HRLWTBHWAZRRJH-UHFFFAOYSA-N 1 1 498.605 7.861 50 0 JKAAMO CCN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000002714186 554299644 /nfs/dbraw/zinc/29/96/44/554299644.db2.gz MMQNCTOXIWQYRF-UHFFFAOYSA-N 1 1 464.535 7.265 50 0 JKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000002714031 554299662 /nfs/dbraw/zinc/29/96/62/554299662.db2.gz XHPGZRMRNUHETP-UHFFFAOYSA-N 1 1 467.523 5.692 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)c1 ZINC000002714297 554300094 /nfs/dbraw/zinc/30/00/94/554300094.db2.gz PFGJYBGGFGFKNP-UHFFFAOYSA-N 1 1 463.560 5.862 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)c1 ZINC000002714872 554300442 /nfs/dbraw/zinc/30/04/42/554300442.db2.gz NUINOXBZLVMIPZ-UHFFFAOYSA-N 1 1 488.469 6.447 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)c1C ZINC000002714624 554300498 /nfs/dbraw/zinc/30/04/98/554300498.db2.gz YCCDQHVVKIVPSR-UHFFFAOYSA-N 1 1 494.042 6.684 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)c1 ZINC000002714844 554300502 /nfs/dbraw/zinc/30/05/02/554300502.db2.gz JQEDVOUXDAHLPD-UHFFFAOYSA-N 1 1 450.508 7.241 50 0 JKAAMO Clc1cccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000002715069 554300724 /nfs/dbraw/zinc/30/07/24/554300724.db2.gz ACKLLCXUWONBIA-UHFFFAOYSA-N 1 1 489.804 7.116 50 0 JKAAMO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC(C)(C)C1 ZINC000002715028 554300788 /nfs/dbraw/zinc/30/07/88/554300788.db2.gz DXEFNPCYGZGXET-GHTZIAJQSA-N 1 1 489.461 7.477 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)cc1 ZINC000002715189 554301062 /nfs/dbraw/zinc/30/10/62/554301062.db2.gz YFNDQVQPMCTTPP-UHFFFAOYSA-N 1 1 468.988 6.794 50 0 JKAAMO Brc1cccc(CN2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000002735962 554319228 /nfs/dbraw/zinc/31/92/28/554319228.db2.gz SYYBFSHNFWIMJL-UHFFFAOYSA-N 1 1 463.463 6.158 50 0 JKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002750304 554326074 /nfs/dbraw/zinc/32/60/74/554326074.db2.gz CTDMQAKXSPIXGS-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 biogenic JKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)c(OC)c1 ZINC000002768650 554335041 /nfs/dbraw/zinc/33/50/41/554335041.db2.gz GUWNYHXKPRQGFN-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 JKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(Br)c2)cc1 ZINC000002870284 554395102 /nfs/dbraw/zinc/39/51/02/554395102.db2.gz XVYDWFZKMTZLLY-UHFFFAOYSA-N 1 1 468.391 5.821 50 0 JKAAMO CCOC(=O)c1c2cc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc2oc1-c1ccccc1 ZINC000003253306 554437406 /nfs/dbraw/zinc/43/74/06/554437406.db2.gz HOQVVHLHPRTPHY-QHCPKHFHSA-N 1 1 471.553 5.075 50 0 JKAAMO CCOC(=O)c1c2cc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)ccc2oc1-c1ccccc1 ZINC000003253304 554437426 /nfs/dbraw/zinc/43/74/26/554437426.db2.gz HOQVVHLHPRTPHY-HSZRJFAPSA-N 1 1 471.553 5.075 50 0 JKAAMO C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)C1CCCCC1 ZINC000003344787 554455267 /nfs/dbraw/zinc/45/52/67/554455267.db2.gz VPDNOVJSPFCZDJ-UHFFFAOYSA-N 1 1 460.043 5.736 50 0 JKAAMO O=S(=O)(CC[NH+]1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000006161512 554513637 /nfs/dbraw/zinc/51/36/37/554513637.db2.gz XEVHEOQIPVZVEH-UHFFFAOYSA-N 1 1 454.035 5.658 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000007059292 554563390 /nfs/dbraw/zinc/56/33/90/554563390.db2.gz LOEIAEPMGGHYQY-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000008397057 554571959 /nfs/dbraw/zinc/57/19/59/554571959.db2.gz OVNOSJCTSBMTDI-OFEZKSIWSA-N 1 1 497.466 6.268 50 0 JKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+]5CCC[C@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000008414617 554578349 /nfs/dbraw/zinc/57/83/49/554578349.db2.gz AAUUMHAFSZYNOZ-YFXJRYMSSA-N 1 1 459.615 5.558 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000008583227 554601054 /nfs/dbraw/zinc/60/10/54/554601054.db2.gz LRBROXMJIZREQI-SFHVURJKSA-N 1 1 454.039 6.034 50 0 JKAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000008583446 554601290 /nfs/dbraw/zinc/60/12/90/554601290.db2.gz WHTLSVDCIQYGCA-UHFFFAOYSA-N 1 1 454.574 5.239 50 0 JKAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000008790569 554683807 /nfs/dbraw/zinc/68/38/07/554683807.db2.gz DIZRVTJKTGQHJC-QLNNSXCMSA-N 1 1 479.617 5.613 50 0 biogenic JKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(C)cc21 ZINC000008813168 554695303 /nfs/dbraw/zinc/69/53/03/554695303.db2.gz DZKNBSRFUHQZCQ-UHFFFAOYSA-N 1 1 485.697 7.021 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)Cc1ccccc1 ZINC000008911734 554800933 /nfs/dbraw/zinc/80/09/33/554800933.db2.gz POQJJROSJURQLF-UHFFFAOYSA-N 1 1 464.679 5.709 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)Cc1ccccc1 ZINC000008912725 554803240 /nfs/dbraw/zinc/80/32/40/554803240.db2.gz WFUYVENHSOLNQN-UHFFFAOYSA-N 1 1 464.679 5.563 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)C1CCCCC1 ZINC000008912728 554803283 /nfs/dbraw/zinc/80/32/83/554803283.db2.gz WHOWLNFSHPZESD-HXUWFJFHSA-N 1 1 456.700 5.696 50 0 JKAAMO Cc1[nH+]c2cc(Nc3nnc(-c4ccc(C)cc4)c4ccccc43)ccc2n1Cc1ccccc1 ZINC000008916366 554810699 /nfs/dbraw/zinc/81/06/99/554810699.db2.gz LMLXACDOGNVGKA-UHFFFAOYSA-N 1 1 455.565 7.055 50 0 JKAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@H](C)CC3)cc1 ZINC000008918721 554815561 /nfs/dbraw/zinc/81/55/61/554815561.db2.gz CODSHKDVJHNCOD-GOSISDBHSA-N 1 1 469.651 5.338 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008923397 554820378 /nfs/dbraw/zinc/82/03/78/554820378.db2.gz FHELRMVYYXGKEB-FQEVSTJZSA-N 1 1 453.589 5.224 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923405 554820621 /nfs/dbraw/zinc/82/06/21/554820621.db2.gz YDGWTARZLIQHLI-NRFANRHFSA-N 1 1 483.615 5.233 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000008923477 554820637 /nfs/dbraw/zinc/82/06/37/554820637.db2.gz SCFNSRUARHMBAT-FQEVSTJZSA-N 1 1 472.408 5.966 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928050 554825550 /nfs/dbraw/zinc/82/55/50/554825550.db2.gz WGAHODUWFBDLAV-JOCHJYFZSA-N 1 1 453.995 5.787 50 0 JKAAMO CCC(C)(C)c1ccc(OCCCC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C(C)(C)CC)c1 ZINC000008964493 554838399 /nfs/dbraw/zinc/83/83/99/554838399.db2.gz VFIRJXUWSVPBAV-JYFHCDHNSA-N 1 1 471.726 7.029 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000008964507 554838489 /nfs/dbraw/zinc/83/84/89/554838489.db2.gz KIIPWXWTCHRTLY-GKVQRAMASA-N 1 1 479.661 5.980 50 0 biogenic JKAAMO CC(=O)Nc1cccc([C@@H](C)[N@H+](CC(=O)N[C@@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000008987146 554849727 /nfs/dbraw/zinc/84/97/27/554849727.db2.gz WWEQMKHAIVLBEG-LEWJYISDSA-N 1 1 469.585 5.832 50 0 JKAAMO CC(=O)Nc1cccc([C@@H](C)[N@@H+](CC(=O)N[C@@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000008987146 554849730 /nfs/dbraw/zinc/84/97/30/554849730.db2.gz WWEQMKHAIVLBEG-LEWJYISDSA-N 1 1 469.585 5.832 50 0 JKAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000009033403 554867598 /nfs/dbraw/zinc/86/75/98/554867598.db2.gz OXYYGWFHYWELQU-LESCRADOSA-N 1 1 454.225 5.047 50 0 biogenic JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000009033462 554867660 /nfs/dbraw/zinc/86/76/60/554867660.db2.gz DWGJOEKNMCQDLE-YXJHDRRASA-N 1 1 454.225 5.047 50 0 biogenic JKAAMO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033804 554867868 /nfs/dbraw/zinc/86/78/68/554867868.db2.gz QEHNLADBQYXELH-XKCSPQBFSA-N 1 1 483.867 5.476 50 0 biogenic JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000009045790 554870274 /nfs/dbraw/zinc/87/02/74/554870274.db2.gz VIQISXNXRTZIHO-RUZDIDTESA-N 1 1 499.592 5.546 50 0 JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000009045790 554870278 /nfs/dbraw/zinc/87/02/78/554870278.db2.gz VIQISXNXRTZIHO-RUZDIDTESA-N 1 1 499.592 5.546 50 0 JKAAMO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc32)cc1 ZINC000009116076 554903336 /nfs/dbraw/zinc/90/33/36/554903336.db2.gz FPKVQVQSVHQDMR-UHFFFAOYSA-N 1 1 453.630 5.569 50 0 JKAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)c(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009130774 554930841 /nfs/dbraw/zinc/93/08/41/554930841.db2.gz UGHLUHMSMZINFN-GOTSBHOMSA-N 1 1 462.340 5.501 50 0 JKAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152951 554941783 /nfs/dbraw/zinc/94/17/83/554941783.db2.gz JQALVOVZRXQZSI-UHFFFAOYSA-N 1 1 495.067 6.088 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2)cc1OC ZINC000009187226 554959615 /nfs/dbraw/zinc/95/96/15/554959615.db2.gz TUYWECAZZNMONE-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO Cc1csc(SCc2c3ccccc3oc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000009217447 554986040 /nfs/dbraw/zinc/98/60/40/554986040.db2.gz HBGAHUGHEJZEIX-IBGZPJMESA-N 1 1 467.616 5.650 50 0 JKAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009217846 554986621 /nfs/dbraw/zinc/98/66/21/554986621.db2.gz JUFZFJNAYLUVRT-UHFFFAOYSA-N 1 1 481.647 5.026 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009229125 555003205 /nfs/dbraw/zinc/00/32/05/555003205.db2.gz VETKEOWHSTXCSV-UHFFFAOYSA-N 1 1 488.075 6.602 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280840 555049709 /nfs/dbraw/zinc/04/97/09/555049709.db2.gz SBYSBUXPPSFTJO-ZPJFYFFZSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280840 555049711 /nfs/dbraw/zinc/04/97/11/555049711.db2.gz SBYSBUXPPSFTJO-ZPJFYFFZSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1CCCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288620 555062478 /nfs/dbraw/zinc/06/24/78/555062478.db2.gz MKNQLXTUSIZWBE-QGZVFWFLSA-N 1 1 472.054 5.975 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288658 555062496 /nfs/dbraw/zinc/06/24/96/555062496.db2.gz NYVIYABETYSBAF-HDICACEKSA-N 1 1 486.081 6.364 50 0 JKAAMO CCOc1ccccc1[C@@H]1Oc2ccc(C)cc2C2=C1[C@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000009291919 555066611 /nfs/dbraw/zinc/06/66/11/555066611.db2.gz KCCJSAGLOUWRRA-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345145 555110618 /nfs/dbraw/zinc/11/06/18/555110618.db2.gz RFQWMOLZZXBTES-DNQXCXABSA-N 1 1 458.974 5.866 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345197 555110915 /nfs/dbraw/zinc/11/09/15/555110915.db2.gz JJGBWEFTVBXQRK-VSGBNLITSA-N 1 1 480.568 5.631 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2)cc1OC ZINC000009345746 555112164 /nfs/dbraw/zinc/11/21/64/555112164.db2.gz CDOZLJFKSMXDKR-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000009346144 555112748 /nfs/dbraw/zinc/11/27/48/555112748.db2.gz BDIZVKCFHCQOAW-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)Cc1ccccc1 ZINC000009406585 555167184 /nfs/dbraw/zinc/16/71/84/555167184.db2.gz MMJVJIUQEGBQQZ-UHFFFAOYSA-N 1 1 486.616 5.997 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000009408662 555171569 /nfs/dbraw/zinc/17/15/69/555171569.db2.gz OGGUJTFCXCAXFD-AREMUKBSSA-N 1 1 468.597 5.248 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000009408662 555171571 /nfs/dbraw/zinc/17/15/71/555171571.db2.gz OGGUJTFCXCAXFD-AREMUKBSSA-N 1 1 468.597 5.248 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc21 ZINC000009409337 555174070 /nfs/dbraw/zinc/17/40/70/555174070.db2.gz HDMFUOCBUOUNAW-RUZDIDTESA-N 1 1 456.586 5.322 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433780 555204078 /nfs/dbraw/zinc/20/40/78/555204078.db2.gz IEMIIWIKAPIAGY-OAQYLSRUSA-N 1 1 487.600 5.013 50 0 JKAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000009433778 555204106 /nfs/dbraw/zinc/20/41/06/555204106.db2.gz XGYDOIKHHFCOKE-UHFFFAOYSA-N 1 1 499.611 5.157 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)C1 ZINC000009433686 555204123 /nfs/dbraw/zinc/20/41/23/555204123.db2.gz DEQKDFCJTIUWLK-LIKDZFNVSA-N 1 1 479.690 5.210 50 0 JKAAMO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCCC[C@@H]1c1cccnc1 ZINC000009435188 555206228 /nfs/dbraw/zinc/20/62/28/555206228.db2.gz OGINYXKCGXTSFR-IXCJQBJRSA-N 1 1 452.602 5.534 50 0 JKAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009461804 555230200 /nfs/dbraw/zinc/23/02/00/555230200.db2.gz OLAOPWAHZBAODJ-XZOQPEGZSA-N 1 1 475.321 5.392 50 0 JKAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494715 555279123 /nfs/dbraw/zinc/27/91/23/555279123.db2.gz JMJTUDCRHYLANB-NOZRDPDXSA-N 1 1 476.642 5.982 50 0 JKAAMO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000009531167 555326066 /nfs/dbraw/zinc/32/60/66/555326066.db2.gz OFWIFLCWXDUZFF-OAQYLSRUSA-N 1 1 471.580 5.311 50 0 JKAAMO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000009531169 555326088 /nfs/dbraw/zinc/32/60/88/555326088.db2.gz OFWIFLCWXDUZFF-NRFANRHFSA-N 1 1 471.580 5.311 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@H](C)C2)c1 ZINC000009531599 555326557 /nfs/dbraw/zinc/32/65/57/555326557.db2.gz HFWVDWFFXBJZFE-XMMPIXPASA-N 1 1 473.624 6.419 50 0 JKAAMO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000009548214 555344717 /nfs/dbraw/zinc/34/47/17/555344717.db2.gz JEOKTQJGTFGRCQ-UHFFFAOYSA-N 1 1 464.953 5.956 50 0 JKAAMO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000009548214 555344720 /nfs/dbraw/zinc/34/47/20/555344720.db2.gz JEOKTQJGTFGRCQ-UHFFFAOYSA-N 1 1 464.953 5.956 50 0 JKAAMO Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000013356416 555383329 /nfs/dbraw/zinc/38/33/29/555383329.db2.gz PXTSRUHKSURAEK-UHFFFAOYSA-N 1 1 452.602 5.408 50 0 JKAAMO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369280 555391018 /nfs/dbraw/zinc/39/10/18/555391018.db2.gz NIIPTCMLCFXJQK-HSALFYBXSA-N 1 1 453.030 5.402 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369313 555391075 /nfs/dbraw/zinc/39/10/75/555391075.db2.gz QROUNHWYDMPUBO-QFIPXVFZSA-N 1 1 489.063 6.335 50 0 JKAAMO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@H+](C)C[C@@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468677 555402108 /nfs/dbraw/zinc/40/21/08/555402108.db2.gz KHYACKNGUMLYGX-VWTPCGADSA-N 1 1 453.430 5.712 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589377 555402409 /nfs/dbraw/zinc/40/24/09/555402409.db2.gz PEEQUAQLXAENKB-NRFANRHFSA-N 1 1 450.586 5.568 50 0 JKAAMO CC(C)c1ccc(Nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000009680876 555408842 /nfs/dbraw/zinc/40/88/42/555408842.db2.gz AIOKRFBIKCNWGD-UHFFFAOYSA-N 1 1 452.602 5.964 50 0 JKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608144 555434925 /nfs/dbraw/zinc/43/49/25/555434925.db2.gz KTQRDKDKTGRXOL-UHFFFAOYSA-N 1 1 463.691 6.765 50 0 JKAAMO Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713578 555440257 /nfs/dbraw/zinc/44/02/57/555440257.db2.gz VPULVSAXLGUTFJ-VWLOTQADSA-N 1 1 483.641 5.490 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1)Cc1ccccc1 ZINC000009722289 555453945 /nfs/dbraw/zinc/45/39/45/555453945.db2.gz VSJFIYFOOVSZMW-UHFFFAOYSA-N 1 1 467.038 5.597 50 0 JKAAMO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000013511037 555483001 /nfs/dbraw/zinc/48/30/01/555483001.db2.gz CVVMLEFCKQGMAH-SBZVUBOMSA-N 1 1 466.666 5.422 50 0 JKAAMO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000019840741 555508600 /nfs/dbraw/zinc/50/86/00/555508600.db2.gz KGUSMGVVLRUKFY-UHFFFAOYSA-N 1 1 466.423 5.395 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2)cc1OC ZINC000013571615 555510053 /nfs/dbraw/zinc/51/00/53/555510053.db2.gz TUYWECAZZNMONE-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO c1coc(Cn2c3ncnc(NCCC[NH+]4CCOCC4)c3c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000019874797 555524181 /nfs/dbraw/zinc/52/41/81/555524181.db2.gz KAOKKGIMVMMUDI-UHFFFAOYSA-N 1 1 493.611 5.541 50 0 JKAAMO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(O)c(OCc3ccccc3)c1)[N@@H+](C)CC2 ZINC000019877680 555524429 /nfs/dbraw/zinc/52/44/29/555524429.db2.gz MNZMAPURPHGCNO-MUUNZHRXSA-N 1 1 495.619 6.331 50 0 JKAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1OCc1ccccc1 ZINC000019889509 555529197 /nfs/dbraw/zinc/52/91/97/555529197.db2.gz XPKQTHWUEQXJTJ-UHFFFAOYSA-N 1 1 481.434 5.355 50 0 JKAAMO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3cccc4ccccc43)CC2)ccc1Br ZINC000019900044 555535513 /nfs/dbraw/zinc/53/55/13/555535513.db2.gz NPJAMIUKCVLGIS-UHFFFAOYSA-N 1 1 466.423 5.057 50 0 JKAAMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000019907642 555536132 /nfs/dbraw/zinc/53/61/32/555536132.db2.gz YANDVWLVZZMOPG-UHFFFAOYSA-N 1 1 477.633 6.817 50 0 JKAAMO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000019913662 555539484 /nfs/dbraw/zinc/53/94/84/555539484.db2.gz PBXMFCZHJCDAIW-DEOSSOPVSA-N 1 1 494.664 5.671 50 0 JKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000013640561 555547210 /nfs/dbraw/zinc/54/72/10/555547210.db2.gz ZCXZVULYJXSSTC-PKOBYXMFSA-N 1 1 472.496 5.351 50 0 JKAAMO Cc1onc(C(=O)Nc2c(Br)cc(Br)cc2C[N@H+](C)C2CCCCC2)c1C 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CC[N@@H+](CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccccc1 ZINC000020556897 555808550 /nfs/dbraw/zinc/80/85/50/555808550.db2.gz IKYNDYIQBDPSNW-UHFFFAOYSA-N 1 1 465.041 5.572 50 0 JKAAMO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020562126 555813684 /nfs/dbraw/zinc/81/36/84/555813684.db2.gz KSRVCAQEMJGTBK-UHFFFAOYSA-N 1 1 456.977 5.278 50 0 JKAAMO CCCC[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597936 555840343 /nfs/dbraw/zinc/84/03/43/555840343.db2.gz ONBORKGHTJRIHH-UHFFFAOYSA-N 1 1 488.632 5.148 50 0 JKAAMO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)c(F)c1 ZINC000015001720 555846538 /nfs/dbraw/zinc/84/65/38/555846538.db2.gz LLBRFKHJJQJLLN-QHCPKHFHSA-N 1 1 484.616 5.255 50 0 JKAAMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2N1CCC(c1ccccc1)c1ccccc1 ZINC000011880152 555847987 /nfs/dbraw/zinc/84/79/87/555847987.db2.gz HXXMDQAMHIDMDX-IAPPQJPRSA-N 1 1 482.624 5.450 50 0 JKAAMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1CCCCC1 ZINC000011905382 555853327 /nfs/dbraw/zinc/85/33/27/555853327.db2.gz IATGQFGXEYPVPR-OAQYLSRUSA-N 1 1 484.394 5.070 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000011909840 555856979 /nfs/dbraw/zinc/85/69/79/555856979.db2.gz BNAZRCAGTPOJSG-VWLOTQADSA-N 1 1 499.680 6.392 50 0 JKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C[C@H]2C)c1 ZINC000021934837 555857521 /nfs/dbraw/zinc/85/75/21/555857521.db2.gz YJDJMRALABLPBK-XMMPIXPASA-N 1 1 493.655 5.244 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000011913776 555863773 /nfs/dbraw/zinc/86/37/73/555863773.db2.gz KQHSXMFXZNLTBA-HYBUGGRVSA-N 1 1 474.944 5.422 50 0 JKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000015022925 555864347 /nfs/dbraw/zinc/86/43/47/555864347.db2.gz KMYPEBMEKUQHKI-HRFSGMKKSA-N 1 1 490.028 5.066 50 0 JKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000015022925 555864350 /nfs/dbraw/zinc/86/43/50/555864350.db2.gz KMYPEBMEKUQHKI-HRFSGMKKSA-N 1 1 490.028 5.066 50 0 JKAAMO O=c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000022038268 555865654 /nfs/dbraw/zinc/86/56/54/555865654.db2.gz KPKXNDQNDBXFHI-UHFFFAOYSA-N 1 1 492.648 5.559 50 0 JKAAMO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccco3)CC[C@@H]2N1CCC(c1ccccc1)c1ccccc1 ZINC000015069338 555869100 /nfs/dbraw/zinc/86/91/00/555869100.db2.gz RAHMIVBCKZUGIM-AXONLZNWSA-N 1 1 454.614 5.828 50 0 JKAAMO C[C@@H]([NH2+]Cc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3)c1ccco1 ZINC000011971267 555873953 /nfs/dbraw/zinc/87/39/53/555873953.db2.gz VKPHORKWRUGLPP-QGZVFWFLSA-N 1 1 466.503 6.001 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000015276483 555891926 /nfs/dbraw/zinc/89/19/26/555891926.db2.gz ISTQUAPICYMORV-HIFRSBDPSA-N 1 1 482.890 5.083 50 0 JKAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000015306072 555895139 /nfs/dbraw/zinc/89/51/39/555895139.db2.gz JSTCAVXSSKWORT-GOSISDBHSA-N 1 1 493.938 5.480 50 0 JKAAMO O=C(c1ccco1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2F)CC1)C1CC1 ZINC000012051864 555896385 /nfs/dbraw/zinc/89/63/85/555896385.db2.gz RASRVHGJSCMJDW-AREMUKBSSA-N 1 1 464.556 5.686 50 0 JKAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319748 555897513 /nfs/dbraw/zinc/89/75/13/555897513.db2.gz CEBFMSUINKFTEF-NQIIRXRSSA-N 1 1 472.511 5.145 50 0 JKAAMO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccnc2)C3)C1 ZINC000012097155 555904685 /nfs/dbraw/zinc/90/46/85/555904685.db2.gz WYTQCLIBVFXFQD-FQEVSTJZSA-N 1 1 492.019 5.157 50 0 JKAAMO C[N@@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1)Cc1cccc2ccccc21 ZINC000012148888 555920663 /nfs/dbraw/zinc/92/06/63/555920663.db2.gz XDDBBAJMNJNTHO-AREMUKBSSA-N 1 1 498.692 6.393 50 0 JKAAMO Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022324909 555921557 /nfs/dbraw/zinc/92/15/57/555921557.db2.gz CSHGRBNNSULTGD-HZPDHXFCSA-N 1 1 454.596 5.057 50 0 JKAAMO Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022324918 555921979 /nfs/dbraw/zinc/92/19/79/555921979.db2.gz CSHGRBNNSULTGD-HOTGVXAUSA-N 1 1 454.596 5.057 50 0 JKAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2ccccc2F)C1 ZINC000012150147 555922175 /nfs/dbraw/zinc/92/21/75/555922175.db2.gz WRNZSXLXMIAINJ-FQEVSTJZSA-N 1 1 490.575 5.149 50 0 JKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cc2c(cc1Br)OCCO2)C1CCCCC1 ZINC000022356196 555924174 /nfs/dbraw/zinc/92/41/74/555924174.db2.gz SDBOWFPRBBPDLR-UHFFFAOYSA-N 1 1 488.426 5.035 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000012158902 555929650 /nfs/dbraw/zinc/92/96/50/555929650.db2.gz LEDBOLWAOKFVDL-DEOSSOPVSA-N 1 1 483.077 6.497 50 0 JKAAMO C[N@@H+](CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015672929 555930865 /nfs/dbraw/zinc/93/08/65/555930865.db2.gz PKQPGNWCAONUPF-NDEPHWFRSA-N 1 1 498.737 5.411 50 0 JKAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672927 555930882 /nfs/dbraw/zinc/93/08/82/555930882.db2.gz CAJRGJBWVOBYKZ-HHHXNRCGSA-N 1 1 486.726 5.268 50 0 JKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccncc1 ZINC000012167556 555933435 /nfs/dbraw/zinc/93/34/35/555933435.db2.gz AOIYZTMGLWBVNY-OAQYLSRUSA-N 1 1 471.626 5.698 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675673 555934270 /nfs/dbraw/zinc/93/42/70/555934270.db2.gz AUUUCHCGFJPFFD-KERYWQKISA-N 1 1 496.696 5.331 50 0 JKAAMO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000015675853 555934911 /nfs/dbraw/zinc/93/49/11/555934911.db2.gz KVYNTMRKXVFWSZ-GDLZYMKVSA-N 1 1 496.696 5.251 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678263 555943309 /nfs/dbraw/zinc/94/33/09/555943309.db2.gz ZPRQUIUBDZFRCD-ZTOMLWHTSA-N 1 1 494.680 5.066 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682197 555951544 /nfs/dbraw/zinc/95/15/44/555951544.db2.gz UDEGCAQKDNTEQR-NRFANRHFSA-N 1 1 477.674 6.245 50 0 JKAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[NH+](Cc5ccccc5)CC4)cc3)sc2c1 ZINC000022920247 555974190 /nfs/dbraw/zinc/97/41/90/555974190.db2.gz RCGDJJTUYKGZJQ-UHFFFAOYSA-N 1 1 456.615 5.028 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000022938263 555991408 /nfs/dbraw/zinc/99/14/08/555991408.db2.gz OHTVXWJOOSJGCK-HHHXNRCGSA-N 1 1 469.585 5.421 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2OC)CC1 ZINC000022938213 555991421 /nfs/dbraw/zinc/99/14/21/555991421.db2.gz XJTQKSNLBMJIOL-VWLOTQADSA-N 1 1 459.546 5.014 50 0 JKAAMO COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000022938265 555991480 /nfs/dbraw/zinc/99/14/80/555991480.db2.gz HXNAPFOXMSPUQR-AREMUKBSSA-N 1 1 455.558 5.031 50 0 JKAAMO COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000022938310 555991767 /nfs/dbraw/zinc/99/17/67/555991767.db2.gz OTQOYLPCYRLRSD-MHZLTWQESA-N 1 1 485.584 5.039 50 0 JKAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000022938293 555991824 /nfs/dbraw/zinc/99/18/24/555991824.db2.gz RYCQELONYBVCLF-RUZDIDTESA-N 1 1 459.977 5.675 50 0 JKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)cc3C)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524746 555994074 /nfs/dbraw/zinc/99/40/74/555994074.db2.gz FVVDGECVLPUEED-PGUFJCEWSA-N 1 1 485.656 8.789 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)c1 ZINC000023153889 556024908 /nfs/dbraw/zinc/02/49/08/556024908.db2.gz PLUOTNXQEMFPFP-UHFFFAOYSA-N 1 1 481.522 5.241 50 0 JKAAMO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH+]3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000023159078 556026280 /nfs/dbraw/zinc/02/62/80/556026280.db2.gz RJPYYRBEVIQFTN-UHFFFAOYSA-N 1 1 488.720 5.567 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@H](C)C2 ZINC000012548943 556027998 /nfs/dbraw/zinc/02/79/98/556027998.db2.gz STEGQUGUEKRUIS-LSDHHAIUSA-N 1 1 482.568 5.527 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@H](C)C2 ZINC000012548943 556028002 /nfs/dbraw/zinc/02/80/02/556028002.db2.gz STEGQUGUEKRUIS-LSDHHAIUSA-N 1 1 482.568 5.527 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182387 556028725 /nfs/dbraw/zinc/02/87/25/556028725.db2.gz LJUKHFNMUDXQPA-WZONZLPQSA-N 1 1 454.640 5.126 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182437 556028767 /nfs/dbraw/zinc/02/87/67/556028767.db2.gz GLFYGBMFPPBWIT-GAJHUEQPSA-N 1 1 472.630 5.265 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023182500 556029001 /nfs/dbraw/zinc/02/90/01/556029001.db2.gz JDSSXESZIAALLY-NBGIEHNGSA-N 1 1 482.694 5.742 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182542 556029048 /nfs/dbraw/zinc/02/90/48/556029048.db2.gz SOXMHLCFKFUMNG-UZUQRXQVSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182518 556029142 /nfs/dbraw/zinc/02/91/42/556029142.db2.gz RPBBDKIIFWELDS-HXOBKFHXSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182554 556029147 /nfs/dbraw/zinc/02/91/47/556029147.db2.gz SOXMHLCFKFUMNG-SBUREZEXSA-N 1 1 489.085 5.779 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Br)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859539 556030405 /nfs/dbraw/zinc/03/04/05/556030405.db2.gz XLXNOJYIDBBORK-RUZDIDTESA-N 1 1 489.413 7.023 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cc(C)ccc3C)oc1C)[C@@H]2c1ccccc1 ZINC000015864883 556040774 /nfs/dbraw/zinc/04/07/74/556040774.db2.gz PFNOXNPPZGBPFG-HHHXNRCGSA-N 1 1 456.655 7.347 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cc(C)ccc3C)oc1C)[C@H]2c1ccccc1 ZINC000015864884 556040784 /nfs/dbraw/zinc/04/07/84/556040784.db2.gz PFNOXNPPZGBPFG-MHZLTWQESA-N 1 1 456.655 7.347 50 0 JKAAMO CCOc1ccc2oc(=O)cc(C[N@H+]3CCc4c5c(sc4[C@@H]3c3ccccc3)CCCC5)c2c1 ZINC000015864837 556040800 /nfs/dbraw/zinc/04/08/00/556040800.db2.gz UNHYTTNXBPFFMZ-NDEPHWFRSA-N 1 1 471.622 6.280 50 0 JKAAMO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023331216 556042697 /nfs/dbraw/zinc/04/26/97/556042697.db2.gz UPKNWRVDQXHBCG-UHFFFAOYSA-N 1 1 459.638 5.196 50 0 JKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335056 556044243 /nfs/dbraw/zinc/04/42/43/556044243.db2.gz QMWMJRCAPPRMHF-GOSISDBHSA-N 1 1 472.555 6.003 50 0 JKAAMO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336428 556046584 /nfs/dbraw/zinc/04/65/84/556046584.db2.gz DNFVYKLMPRMSRV-UHFFFAOYSA-N 1 1 473.665 5.538 50 0 JKAAMO C[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc12)C1CCCCC1 ZINC000023426689 556053979 /nfs/dbraw/zinc/05/39/79/556053979.db2.gz MSFVEOPKFQLSBY-UHFFFAOYSA-N 1 1 465.466 5.923 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012564482 556060430 /nfs/dbraw/zinc/06/04/30/556060430.db2.gz IKEPIUNMNPFVMF-WIOPSUGQSA-N 1 1 469.610 5.485 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450911 556065604 /nfs/dbraw/zinc/06/56/04/556065604.db2.gz GWPFDZHIVKEZRZ-NRFANRHFSA-N 1 1 452.602 5.891 50 0 JKAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450911 556065606 /nfs/dbraw/zinc/06/56/06/556065606.db2.gz GWPFDZHIVKEZRZ-NRFANRHFSA-N 1 1 452.602 5.891 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450911 556065608 /nfs/dbraw/zinc/06/56/08/556065608.db2.gz GWPFDZHIVKEZRZ-NRFANRHFSA-N 1 1 452.602 5.891 50 0 JKAAMO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000012568198 556068330 /nfs/dbraw/zinc/06/83/30/556068330.db2.gz KZWOAWLZXVNVHL-UHFFFAOYSA-N 1 1 498.602 6.548 50 0 JKAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000012570805 556073497 /nfs/dbraw/zinc/07/34/97/556073497.db2.gz CIVPDXIEMOXDMJ-VWLOTQADSA-N 1 1 477.048 5.946 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000015946353 556082841 /nfs/dbraw/zinc/08/28/41/556082841.db2.gz KWGLUAYIBFQMKX-FQEVSTJZSA-N 1 1 472.408 5.966 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000015946355 556082869 /nfs/dbraw/zinc/08/28/69/556082869.db2.gz KWGLUAYIBFQMKX-HXUWFJFHSA-N 1 1 472.408 5.966 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000015946383 556082924 /nfs/dbraw/zinc/08/29/24/556082924.db2.gz RGMLTRLRMBECDE-JOCHJYFZSA-N 1 1 482.005 5.816 50 0 JKAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@@H](C(C)(C)C)CC3)c1 ZINC000015946728 556083520 /nfs/dbraw/zinc/08/35/20/556083520.db2.gz CUXMTUGTLXTRCH-FQEVSTJZSA-N 1 1 481.706 6.274 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946804 556083667 /nfs/dbraw/zinc/08/36/67/556083667.db2.gz OMJDTVYJYGLVRT-CTNGQTDRSA-N 1 1 495.733 6.527 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946804 556083669 /nfs/dbraw/zinc/08/36/69/556083669.db2.gz OMJDTVYJYGLVRT-CTNGQTDRSA-N 1 1 495.733 6.527 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CCCCC2 ZINC000015946752 556083681 /nfs/dbraw/zinc/08/36/81/556083681.db2.gz IQPSBPZKJQILFV-UHFFFAOYSA-N 1 1 453.652 5.502 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC)sc2c1CCCCC2 ZINC000015946760 556083687 /nfs/dbraw/zinc/08/36/87/556083687.db2.gz DVBZFHSOURXFBV-FQEVSTJZSA-N 1 1 467.679 6.035 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC)sc2c1CCCCC2 ZINC000015946760 556083689 /nfs/dbraw/zinc/08/36/89/556083689.db2.gz DVBZFHSOURXFBV-FQEVSTJZSA-N 1 1 467.679 6.035 50 0 JKAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2 ZINC000015946960 556084402 /nfs/dbraw/zinc/08/44/02/556084402.db2.gz VHFFNGHTJXYXIL-UHFFFAOYSA-N 1 1 455.624 5.092 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000015947241 556084727 /nfs/dbraw/zinc/08/47/27/556084727.db2.gz CDRVPNUYPZEOAP-DEOSSOPVSA-N 1 1 489.641 6.072 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000015947155 556084761 /nfs/dbraw/zinc/08/47/61/556084761.db2.gz VVKXYCTZWMEDLW-QHCPKHFHSA-N 1 1 495.576 5.312 50 0 JKAAMO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc1 ZINC000015947091 556084777 /nfs/dbraw/zinc/08/47/77/556084777.db2.gz NVBIFOGZBGHMNA-QHCPKHFHSA-N 1 1 477.586 5.171 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947295 556085211 /nfs/dbraw/zinc/08/52/11/556085211.db2.gz NHBMDTCNQJCHEH-JOCHJYFZSA-N 1 1 498.446 5.897 50 0 JKAAMO O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947364 556085228 /nfs/dbraw/zinc/08/52/28/556085228.db2.gz YZNIGBWMIJTQRC-DEOSSOPVSA-N 1 1 476.001 6.649 50 0 JKAAMO O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947364 556085230 /nfs/dbraw/zinc/08/52/30/556085230.db2.gz YZNIGBWMIJTQRC-DEOSSOPVSA-N 1 1 476.001 6.649 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947285 556085234 /nfs/dbraw/zinc/08/52/34/556085234.db2.gz LVSQKLJATKYRDI-IBGZPJMESA-N 1 1 458.381 5.578 50 0 JKAAMO C[C@@H](c1nn(CN2CCC(c3nc4ccccc4o3)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000023845395 556091349 /nfs/dbraw/zinc/09/13/49/556091349.db2.gz DUSMDFIUWBCAQX-KRWDZBQOSA-N 1 1 480.613 5.143 50 0 JKAAMO CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660506 556100811 /nfs/dbraw/zinc/10/08/11/556100811.db2.gz SKYIWOGZYIRINV-RYDHSDCGSA-N 1 1 483.737 6.578 50 0 biogenic JKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)[N@@H+]4Cc5ccccc5C[C@@H]4[C@H]3C2=O)cc1 ZINC000015987466 556101384 /nfs/dbraw/zinc/10/13/84/556101384.db2.gz IHCCNYSQNVISOB-VPBXCIAMSA-N 1 1 487.397 5.045 50 0 JKAAMO CCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000023989412 556113152 /nfs/dbraw/zinc/11/31/52/556113152.db2.gz SNCVPDBFRAGLJO-SANMLTNESA-N 1 1 494.686 5.172 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccccc3)cc2)cc1 ZINC000012795639 556113648 /nfs/dbraw/zinc/11/36/48/556113648.db2.gz UIEGEGHYSXDXRP-SANMLTNESA-N 1 1 471.582 5.327 50 0 JKAAMO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041859 556121558 /nfs/dbraw/zinc/12/15/58/556121558.db2.gz QEHNLADBQYXELH-IEIRFRATSA-N 1 1 483.867 5.476 50 0 JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000016041446 556121567 /nfs/dbraw/zinc/12/15/67/556121567.db2.gz VOUZVBHUPLKNBV-UWWQBHOKSA-N 1 1 498.676 5.156 50 0 JKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)n1 ZINC000024528565 556134951 /nfs/dbraw/zinc/13/49/51/556134951.db2.gz IEVHXMCECKUFPY-HSZRJFAPSA-N 1 1 494.665 5.102 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H](C)c3nnc4n3CCCCC4)c2c1C ZINC000012926767 556144995 /nfs/dbraw/zinc/14/49/95/556144995.db2.gz PNXZMDBIOYHXDV-QGZVFWFLSA-N 1 1 453.660 5.031 50 0 JKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)C[C@H]2C)cc1 ZINC000016712890 556154391 /nfs/dbraw/zinc/15/43/91/556154391.db2.gz FOIDGXXMZGZMDV-JOCHJYFZSA-N 1 1 494.042 6.764 50 0 JKAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000024822085 556156902 /nfs/dbraw/zinc/15/69/02/556156902.db2.gz DVMTXTIRXWGFTD-QFIPXVFZSA-N 1 1 493.629 5.573 50 0 JKAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000024822085 556156904 /nfs/dbraw/zinc/15/69/04/556156904.db2.gz DVMTXTIRXWGFTD-QFIPXVFZSA-N 1 1 493.629 5.573 50 0 JKAAMO C[C@@H](Cc1cccs1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000012950933 556160172 /nfs/dbraw/zinc/16/01/72/556160172.db2.gz DWRXHSGGVPESMY-SFHVURJKSA-N 1 1 470.038 5.175 50 0 JKAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000024842871 556160548 /nfs/dbraw/zinc/16/05/48/556160548.db2.gz IYOVJGMZCWFZOC-UHFFFAOYSA-N 1 1 454.876 5.471 50 0 JKAAMO O=C(/C=C/c1ccc(OCCCF)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012959606 556162594 /nfs/dbraw/zinc/16/25/94/556162594.db2.gz UEBGUQKJPPGWKE-SAPNQHFASA-N 1 1 458.577 5.372 50 0 JKAAMO COc1cc(OC)cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)c1 ZINC000016837173 556163019 /nfs/dbraw/zinc/16/30/19/556163019.db2.gz ZDBUBSDEMDFHOZ-UHFFFAOYSA-N 1 1 465.600 5.282 50 0 JKAAMO COc1cc(OC)cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)c1 ZINC000016837173 556163021 /nfs/dbraw/zinc/16/30/21/556163021.db2.gz ZDBUBSDEMDFHOZ-UHFFFAOYSA-N 1 1 465.600 5.282 50 0 JKAAMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012972058 556163687 /nfs/dbraw/zinc/16/36/87/556163687.db2.gz JUWBLWGPCDUNLS-HNNXBMFYSA-N 1 1 461.509 5.651 50 0 JKAAMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012972058 556163688 /nfs/dbraw/zinc/16/36/88/556163688.db2.gz JUWBLWGPCDUNLS-HNNXBMFYSA-N 1 1 461.509 5.651 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2-c2nc3ccccc3s2)C1 ZINC000016916155 556180057 /nfs/dbraw/zinc/18/00/57/556180057.db2.gz SIHYXRHCNSJVGG-UHFFFAOYSA-N 1 1 473.545 6.284 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2-c2nc3ccccc3s2)C1 ZINC000016916155 556180060 /nfs/dbraw/zinc/18/00/60/556180060.db2.gz SIHYXRHCNSJVGG-UHFFFAOYSA-N 1 1 473.545 6.284 50 0 JKAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)n2)cc1 ZINC000017042594 556208951 /nfs/dbraw/zinc/20/89/51/556208951.db2.gz INFQVWRTZXSVIX-UHFFFAOYSA-N 1 1 463.585 5.466 50 0 JKAAMO CC(C)c1cc(=O)oc2cc(Oc3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)ccc21 ZINC000013041853 556247752 /nfs/dbraw/zinc/24/77/52/556247752.db2.gz IKXSYCUDXAULCJ-UHFFFAOYSA-N 1 1 489.641 6.434 50 0 JKAAMO CCN(CC)P1(N(CC)CC)=[NH+][P@](N)(N(CC)CC)=N[P@](N)(N(CC)CC)=N1 ZINC000017282233 556250561 /nfs/dbraw/zinc/25/05/61/556250561.db2.gz RABVHIWZMBBKBK-MKPDMIMOSA-N 1 1 455.513 5.123 50 0 JKAAMO CCN(CC)P1(N(CC)CC)=[NH+][P@@](N)(N(CC)CC)=N[P@](N)(N(CC)CC)=N1 ZINC000017282236 556250586 /nfs/dbraw/zinc/25/05/86/556250586.db2.gz RABVHIWZMBBKBK-SVBPBHIXSA-N 1 1 455.513 5.123 50 0 JKAAMO CCOC(=O)c1c(C)c(CC)sc1NC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000013058350 556253841 /nfs/dbraw/zinc/25/38/41/556253841.db2.gz CAHGTDDFLPOYMQ-UHFFFAOYSA-N 1 1 471.667 5.611 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Oc3ccc4oc5ccccc5c4c3)c2c1C ZINC000013068403 556264701 /nfs/dbraw/zinc/26/47/01/556264701.db2.gz AQOCHVQGBPUHFH-UHFFFAOYSA-N 1 1 457.599 7.232 50 0 JKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccc(Br)cc3)N3NC=NC3=[NH+]1)[C@H](c1ccncc1)O2 ZINC000013122500 556338854 /nfs/dbraw/zinc/33/88/54/556338854.db2.gz JXUBIVPIZLNBAS-YADHBBJMSA-N 1 1 492.764 5.302 50 0 aggregator JKAAMO Clc1ccc2c(c1)C1=C([C@H](c3ccncc3)O2)[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]1 ZINC000013122502 556338958 /nfs/dbraw/zinc/33/89/58/556338958.db2.gz JXUBIVPIZLNBAS-VXKWHMMOSA-N 1 1 492.764 5.302 50 0 aggregator JKAAMO ClC1=CC[C@@H]2C[N@@H+](CCN(Cc3ccccc3)CN3C[C@@H]4CC=C(Cl)C[C@@H]4C3)C[C@@H]2C1 ZINC000019324673 556341201 /nfs/dbraw/zinc/34/12/01/556341201.db2.gz KUGQIPDYEXNCQQ-NAVOZUGXSA-N 1 1 460.493 5.375 50 0 JKAAMO ClC1=CC[C@@H]2C[N@H+](CCN(Cc3ccccc3)CN3C[C@@H]4CC=C(Cl)C[C@@H]4C3)C[C@@H]2C1 ZINC000019324673 556341204 /nfs/dbraw/zinc/34/12/04/556341204.db2.gz KUGQIPDYEXNCQQ-NAVOZUGXSA-N 1 1 460.493 5.375 50 0 JKAAMO COc1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc(I)c1O ZINC000019634719 556359019 /nfs/dbraw/zinc/35/90/19/556359019.db2.gz DCACSTIGXMHTDU-UHFFFAOYSA-N 1 1 473.354 5.250 50 0 JKAAMO C[N@@H+]1CCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030635 556363076 /nfs/dbraw/zinc/36/30/76/556363076.db2.gz VJQXQHZUYCCOHJ-RUZDIDTESA-N 1 1 451.570 5.457 50 0 JKAAMO C[N@H+]1CCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030635 556363080 /nfs/dbraw/zinc/36/30/80/556363080.db2.gz VJQXQHZUYCCOHJ-RUZDIDTESA-N 1 1 451.570 5.457 50 0 JKAAMO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019770617 556368062 /nfs/dbraw/zinc/36/80/62/556368062.db2.gz ZKYOLXTWDQZHCY-MHZLTWQESA-N 1 1 475.636 5.563 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000019771266 556368794 /nfs/dbraw/zinc/36/87/94/556368794.db2.gz NKPARCVBONESBN-HKBQPEDESA-N 1 1 482.023 7.076 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000019771266 556368796 /nfs/dbraw/zinc/36/87/96/556368796.db2.gz NKPARCVBONESBN-HKBQPEDESA-N 1 1 482.023 7.076 50 0 JKAAMO CCCC[C@H](CC)CNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823782 556394422 /nfs/dbraw/zinc/39/44/22/556394422.db2.gz KWYRADUOTCNGHO-DEOSSOPVSA-N 1 1 463.666 5.033 50 0 JKAAMO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nc12 ZINC000032513447 556443940 /nfs/dbraw/zinc/44/39/40/556443940.db2.gz CIZXGBQXAFXZEN-UHFFFAOYSA-N 1 1 469.976 5.141 50 0 JKAAMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)nc12 ZINC000032513447 556443943 /nfs/dbraw/zinc/44/39/43/556443943.db2.gz CIZXGBQXAFXZEN-UHFFFAOYSA-N 1 1 469.976 5.141 50 0 JKAAMO Cc1cc(=O)c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000032900673 556528121 /nfs/dbraw/zinc/52/81/21/556528121.db2.gz PJGWBOUHVLAXMJ-UHFFFAOYSA-N 1 1 464.997 5.211 50 0 JKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000008583020 562940018 /nfs/dbraw/zinc/94/00/18/562940018.db2.gz URWMOOQDPAIZCO-UHFFFAOYSA-N 1 1 460.965 5.520 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590242 562942569 /nfs/dbraw/zinc/94/25/69/562942569.db2.gz JCZLGELMCFHOND-HNNXBMFYSA-N 1 1 489.041 5.470 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058494310 563206657 /nfs/dbraw/zinc/20/66/57/563206657.db2.gz LDMHMMCRJKBPKT-GCJKJVERSA-N 1 1 461.389 5.667 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054073010 569589164 /nfs/dbraw/zinc/58/91/64/569589164.db2.gz AIUIBDIZIUYANY-AREMUKBSSA-N 1 1 489.616 6.261 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054073013 569589203 /nfs/dbraw/zinc/58/92/03/569589203.db2.gz AIUIBDIZIUYANY-SANMLTNESA-N 1 1 489.616 6.261 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054105775 569589253 /nfs/dbraw/zinc/58/92/53/569589253.db2.gz JKTLYEFDYONJBZ-MUUNZHRXSA-N 1 1 499.655 6.668 50 0 JKAAMO COc1cccc(C[N@@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC)C2)c1 ZINC000055131701 569590844 /nfs/dbraw/zinc/59/08/44/569590844.db2.gz USEIYPCUOMNLOH-UHFFFAOYSA-N 1 1 478.898 5.833 50 0 JKAAMO COc1cccc(C[N@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC)C2)c1 ZINC000055131701 569590846 /nfs/dbraw/zinc/59/08/46/569590846.db2.gz USEIYPCUOMNLOH-UHFFFAOYSA-N 1 1 478.898 5.833 50 0 JKAAMO Cc1csc([C@@H](C)[N@@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000055154738 569591117 /nfs/dbraw/zinc/59/11/17/569591117.db2.gz UXIHJPVTFCIFSU-JOCHJYFZSA-N 1 1 476.690 6.075 50 0 JKAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000055283440 569591399 /nfs/dbraw/zinc/59/13/99/569591399.db2.gz OHMLYCWPMJRLGH-SANMLTNESA-N 1 1 471.988 5.180 50 0 JKAAMO [NH2+]=C(Nc1ccccc1Sc1ccccc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000008465967 569591847 /nfs/dbraw/zinc/59/18/47/569591847.db2.gz GALFLKISKLCNHA-UHFFFAOYSA-N 1 1 494.045 6.326 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1Br ZINC000055545161 569592051 /nfs/dbraw/zinc/59/20/51/569592051.db2.gz YRHNPFWLMXVKET-UHFFFAOYSA-N 1 1 468.370 5.163 50 0 JKAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000055545155 569592087 /nfs/dbraw/zinc/59/20/87/569592087.db2.gz DRWILPUULBUPIR-UHFFFAOYSA-N 1 1 453.945 5.062 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)cc1Cl ZINC000008710050 569595583 /nfs/dbraw/zinc/59/55/83/569595583.db2.gz LCZQAVYVNVJZFW-CJAUYULYSA-N 1 1 460.965 5.565 50 0 JKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)cc1Cl ZINC000008710051 569595722 /nfs/dbraw/zinc/59/57/22/569595722.db2.gz LCZQAVYVNVJZFW-AVRWGWEMSA-N 1 1 460.965 5.565 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057364149 569599382 /nfs/dbraw/zinc/59/93/82/569599382.db2.gz KHZCSEGGDZVCOQ-UHFFFAOYSA-N 1 1 470.594 5.910 50 0 JKAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008724496 569599712 /nfs/dbraw/zinc/59/97/12/569599712.db2.gz XSZIGYIBWZNHSH-QGZVFWFLSA-N 1 1 481.647 5.026 50 0 JKAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008724496 569599713 /nfs/dbraw/zinc/59/97/13/569599713.db2.gz XSZIGYIBWZNHSH-QGZVFWFLSA-N 1 1 481.647 5.026 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983598 569606835 /nfs/dbraw/zinc/60/68/35/569606835.db2.gz ANDMBLQSINCRKC-SSHUPFPWSA-N 1 1 467.997 5.096 50 0 JKAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000059578196 569607021 /nfs/dbraw/zinc/60/70/21/569607021.db2.gz ZTXNJHIAGYIRIZ-CQSZACIVSA-N 1 1 463.891 5.104 50 0 JKAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000059578196 569607023 /nfs/dbraw/zinc/60/70/23/569607023.db2.gz ZTXNJHIAGYIRIZ-CQSZACIVSA-N 1 1 463.891 5.104 50 0 JKAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983918 569607199 /nfs/dbraw/zinc/60/71/99/569607199.db2.gz CSEGIVFAYHEHFO-JMTCZITHSA-N 1 1 490.003 5.352 50 0 JKAAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccccc1Cl ZINC000032988565 569609837 /nfs/dbraw/zinc/60/98/37/569609837.db2.gz RAKBTKZTIYYWIJ-HSZRJFAPSA-N 1 1 488.097 5.161 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1)Cc1ccccc1 ZINC000032996944 569610827 /nfs/dbraw/zinc/61/08/27/569610827.db2.gz SREXENRNLADIIC-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(=O)N[C@@H](c3cccs3)c3ccc(C)cc3)C2)cc1 ZINC000062613459 569613120 /nfs/dbraw/zinc/61/31/20/569613120.db2.gz MJSSFQOHALEEGY-AJTFRIOCSA-N 1 1 490.673 5.104 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(=O)N[C@@H](c3cccs3)c3ccc(C)cc3)C2)cc1 ZINC000062613459 569613121 /nfs/dbraw/zinc/61/31/21/569613121.db2.gz MJSSFQOHALEEGY-AJTFRIOCSA-N 1 1 490.673 5.104 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@@H](C)C2 ZINC000062667483 569614109 /nfs/dbraw/zinc/61/41/09/569614109.db2.gz STEGQUGUEKRUIS-CABCVRRESA-N 1 1 482.568 5.527 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@@H](C)C2 ZINC000062667483 569614111 /nfs/dbraw/zinc/61/41/11/569614111.db2.gz STEGQUGUEKRUIS-CABCVRRESA-N 1 1 482.568 5.527 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000063666796 569615906 /nfs/dbraw/zinc/61/59/06/569615906.db2.gz MDLLTXAZVCQAGB-UHFFFAOYSA-N 1 1 475.677 5.859 50 0 JKAAMO CC[N@@H+](CCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000063666786 569615916 /nfs/dbraw/zinc/61/59/16/569615916.db2.gz NDVFDVXTNMXSGO-UHFFFAOYSA-N 1 1 468.041 5.507 50 0 JKAAMO CC[N@@H+](CCC[NH2+]Cc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000063666792 569616035 /nfs/dbraw/zinc/61/60/35/569616035.db2.gz GWJGPUKCIIXPLZ-UHFFFAOYSA-N 1 1 468.041 5.507 50 0 JKAAMO Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CC[N@@H+](C)C[C@@H]4c4ccccc4)cc3)ncn2)c1 ZINC000033010674 569616787 /nfs/dbraw/zinc/61/67/87/569616787.db2.gz MJRCULDTUNBAJE-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CC[N@H+](C)C[C@@H]4c4ccccc4)cc3)ncn2)c1 ZINC000033010674 569616788 /nfs/dbraw/zinc/61/67/88/569616788.db2.gz MJRCULDTUNBAJE-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000033318621 569623290 /nfs/dbraw/zinc/62/32/90/569623290.db2.gz MMALUWHUUIEUSG-UHFFFAOYSA-N 1 1 462.554 5.180 50 0 JKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1OC ZINC000033318621 569623292 /nfs/dbraw/zinc/62/32/92/569623292.db2.gz MMALUWHUUIEUSG-UHFFFAOYSA-N 1 1 462.554 5.180 50 0 JKAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)[nH+]c(C)n1 ZINC000033324517 569623514 /nfs/dbraw/zinc/62/35/14/569623514.db2.gz KXHOFSVFHVGXDX-UHFFFAOYSA-N 1 1 453.612 5.101 50 0 JKAAMO Cc1ccc(C[NH+]2CCN(c3nn4c(nc(-c5cccc(F)c5)c4NC(C)(C)C)s3)CC2)cc1 ZINC000064746777 569625686 /nfs/dbraw/zinc/62/56/86/569625686.db2.gz SDHOEFZOBVGBDM-UHFFFAOYSA-N 1 1 478.641 5.438 50 0 JKAAMO Cc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC4CCCC4)s3)CC2)c1 ZINC000064746745 569625690 /nfs/dbraw/zinc/62/56/90/569625690.db2.gz FHGCCUWCBKJGSD-UHFFFAOYSA-N 1 1 472.662 5.443 50 0 JKAAMO COc1ccc(OC)c([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000064790090 569628578 /nfs/dbraw/zinc/62/85/78/569628578.db2.gz GKLLRRPXGAHZMO-HSZRJFAPSA-N 1 1 463.559 5.824 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801393 569631390 /nfs/dbraw/zinc/63/13/90/569631390.db2.gz MCEIIQNXBJBWCE-UHFFFAOYSA-N 1 1 468.964 6.710 50 0 JKAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc(C)[nH+]1 ZINC000064801727 569631565 /nfs/dbraw/zinc/63/15/65/569631565.db2.gz HFSSQDOHNZRSEU-UHFFFAOYSA-N 1 1 452.367 5.068 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801829 569631681 /nfs/dbraw/zinc/63/16/81/569631681.db2.gz SHLNDXXIEKYBTD-UHFFFAOYSA-N 1 1 485.613 5.181 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064802018 569631862 /nfs/dbraw/zinc/63/18/62/569631862.db2.gz JJYOOSHKCHYCSF-UHFFFAOYSA-N 1 1 465.623 5.691 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064814521 569632100 /nfs/dbraw/zinc/63/21/00/569632100.db2.gz BDJSDJVQWGRBEN-UHFFFAOYSA-N 1 1 473.549 5.352 50 0 JKAAMO c1ccc(COc2ccccc2O[C@@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876656 569636935 /nfs/dbraw/zinc/63/69/35/569636935.db2.gz NOVKCRPJQZXSJH-HKBQPEDESA-N 1 1 492.663 6.594 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667444 569640354 /nfs/dbraw/zinc/64/03/54/569640354.db2.gz ZEUYIIIRULQHNS-IHLOFXLRSA-N 1 1 488.647 6.293 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667444 569640356 /nfs/dbraw/zinc/64/03/56/569640356.db2.gz ZEUYIIIRULQHNS-IHLOFXLRSA-N 1 1 488.647 6.293 50 0 JKAAMO CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667493 569640446 /nfs/dbraw/zinc/64/04/46/569640446.db2.gz NWMTXOAOIOAFDG-KPURRNSFSA-N 1 1 474.620 5.903 50 0 JKAAMO CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667493 569640447 /nfs/dbraw/zinc/64/04/47/569640447.db2.gz NWMTXOAOIOAFDG-KPURRNSFSA-N 1 1 474.620 5.903 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668640 569640681 /nfs/dbraw/zinc/64/06/81/569640681.db2.gz FKDWUBWFXAFQCQ-UHFFFAOYSA-N 1 1 487.953 5.611 50 0 JKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)o2)s1 ZINC000034670185 569640699 /nfs/dbraw/zinc/64/06/99/569640699.db2.gz JMQCBYIXSBIYBK-UHFFFAOYSA-N 1 1 478.580 6.647 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671629 569640779 /nfs/dbraw/zinc/64/07/79/569640779.db2.gz CAERHAIDLRUAHF-KYJUHHDHSA-N 1 1 470.657 6.072 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669610 569640789 /nfs/dbraw/zinc/64/07/89/569640789.db2.gz YNHMAMILAZCHDB-RCZVLFRGSA-N 1 1 470.510 6.114 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671631 569640793 /nfs/dbraw/zinc/64/07/93/569640793.db2.gz CAERHAIDLRUAHF-IHLOFXLRSA-N 1 1 470.657 6.072 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671574 569640825 /nfs/dbraw/zinc/64/08/25/569640825.db2.gz POXGBABHUZQVAD-CONSDPRKSA-N 1 1 491.635 5.703 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671677 569640921 /nfs/dbraw/zinc/64/09/21/569640921.db2.gz WSKMESBHYOFRMV-FQLXRVMXSA-N 1 1 456.630 5.825 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671653 569641006 /nfs/dbraw/zinc/64/10/06/569641006.db2.gz WIGVXPPVVIUFFQ-IOWSJCHKSA-N 1 1 494.635 6.210 50 0 JKAAMO Clc1cccc(C[NH+]2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)CC2)c1 ZINC000034675359 569641204 /nfs/dbraw/zinc/64/12/04/569641204.db2.gz IULUHSXUIZMZSE-UHFFFAOYSA-N 1 1 461.013 5.301 50 0 JKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(Cl)cc4)co3)CC2)cc1 ZINC000034678291 569642273 /nfs/dbraw/zinc/64/22/73/569642273.db2.gz YZBYEGDHGLNAOT-UHFFFAOYSA-N 1 1 467.013 5.196 50 0 JKAAMO C[NH+]1CCN(C(=O)c2cc3sc(Br)cc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000034678466 569642504 /nfs/dbraw/zinc/64/25/04/569642504.db2.gz MAIUPEPJDRRGFP-UHFFFAOYSA-N 1 1 474.468 5.199 50 0 JKAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)ccc1O ZINC000034681647 569643255 /nfs/dbraw/zinc/64/32/55/569643255.db2.gz YXIBWYZGNGVXLP-UHFFFAOYSA-N 1 1 488.632 5.058 50 0 JKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000034681629 569643262 /nfs/dbraw/zinc/64/32/62/569643262.db2.gz OMJFRARSNQTUHR-UHFFFAOYSA-N 1 1 477.052 5.997 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1cccs1 ZINC000034681480 569643271 /nfs/dbraw/zinc/64/32/71/569643271.db2.gz NRHWWKRFCDLYRG-UHFFFAOYSA-N 1 1 470.598 5.510 50 0 JKAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681628 569643362 /nfs/dbraw/zinc/64/33/62/569643362.db2.gz JWWMFAVVDJJZGR-UHFFFAOYSA-N 1 1 456.634 5.652 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681774 569643488 /nfs/dbraw/zinc/64/34/88/569643488.db2.gz HZFGHJYZNFCSAN-UHFFFAOYSA-N 1 1 490.476 5.343 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681774 569643489 /nfs/dbraw/zinc/64/34/89/569643489.db2.gz HZFGHJYZNFCSAN-UHFFFAOYSA-N 1 1 490.476 5.343 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681953 569643819 /nfs/dbraw/zinc/64/38/19/569643819.db2.gz CIZVFGNTOCOPCC-UHFFFAOYSA-N 1 1 454.496 5.065 50 0 JKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681956 569643849 /nfs/dbraw/zinc/64/38/49/569643849.db2.gz BKKFLFDTPDUZIH-UHFFFAOYSA-N 1 1 496.577 6.188 50 0 JKAAMO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034682827 569644139 /nfs/dbraw/zinc/64/41/39/569644139.db2.gz RNCRPDAKXGJJRX-UHFFFAOYSA-N 1 1 482.546 6.334 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683274 569644277 /nfs/dbraw/zinc/64/42/77/569644277.db2.gz IGWCIKMTDFPRJW-UHFFFAOYSA-N 1 1 492.591 5.471 50 0 JKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034683716 569644411 /nfs/dbraw/zinc/64/44/11/569644411.db2.gz NYHNFRVQSXTQRA-UHFFFAOYSA-N 1 1 473.013 5.647 50 0 JKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683701 569644426 /nfs/dbraw/zinc/64/44/26/569644426.db2.gz MAXWAIVOBJHLEH-UHFFFAOYSA-N 1 1 476.976 5.478 50 0 JKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034683689 569644497 /nfs/dbraw/zinc/64/44/97/569644497.db2.gz JXBMDXFKHBZWFZ-UHFFFAOYSA-N 1 1 473.013 5.647 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c(OC)c1OC ZINC000034683634 569644534 /nfs/dbraw/zinc/64/45/34/569644534.db2.gz HJOBSHZREJBRFP-UHFFFAOYSA-N 1 1 492.591 5.471 50 0 JKAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1 ZINC000034683722 569644602 /nfs/dbraw/zinc/64/46/02/569644602.db2.gz AFLQAZUYZCSIAE-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO CCc1ccc(N(C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683825 569644638 /nfs/dbraw/zinc/64/46/38/569644638.db2.gz AENBQBFDLPTCJS-UHFFFAOYSA-N 1 1 494.657 5.126 50 0 JKAAMO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)o1 ZINC000034685550 569644968 /nfs/dbraw/zinc/64/49/68/569644968.db2.gz BQOHWGIWMBCYEH-PMERELPUSA-N 1 1 496.582 6.038 50 0 JKAAMO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)o1 ZINC000034685550 569644970 /nfs/dbraw/zinc/64/49/70/569644970.db2.gz BQOHWGIWMBCYEH-PMERELPUSA-N 1 1 496.582 6.038 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C)n2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698905 569647952 /nfs/dbraw/zinc/64/79/52/569647952.db2.gz HYBPGDRJOJZFDT-LBNVMWSVSA-N 1 1 471.645 5.413 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698885 569647996 /nfs/dbraw/zinc/64/79/96/569647996.db2.gz KUWZPYDMNUZOKM-IRPSRAIASA-N 1 1 455.646 6.014 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698870 569647999 /nfs/dbraw/zinc/64/79/99/569647999.db2.gz VUGQTLDSYHGAFJ-VAVYLYDRSA-N 1 1 472.698 6.747 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698871 569648035 /nfs/dbraw/zinc/64/80/35/569648035.db2.gz VUGQTLDSYHGAFJ-IRPSRAIASA-N 1 1 472.698 6.747 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698875 569648043 /nfs/dbraw/zinc/64/80/43/569648043.db2.gz XRASHGBJFYUEFB-UHSQPCAPSA-N 1 1 472.698 6.747 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698759 569648088 /nfs/dbraw/zinc/64/80/88/569648088.db2.gz GNVVTOXVDBBFOC-BVAGGSTKSA-N 1 1 450.623 5.962 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)s2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698906 569648244 /nfs/dbraw/zinc/64/82/44/569648244.db2.gz QNMGOQHXBZGOJY-SHQCIBLASA-N 1 1 476.686 6.079 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699053 569648332 /nfs/dbraw/zinc/64/83/32/569648332.db2.gz CJAYYLNTBKKYIU-PXDATVDWSA-N 1 1 454.586 5.793 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698912 569648361 /nfs/dbraw/zinc/64/83/61/569648361.db2.gz QFSXUIVQGITYFC-WNCULLNHSA-N 1 1 464.581 5.441 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699061 569648451 /nfs/dbraw/zinc/64/84/51/569648451.db2.gz BTRKLAUCLBCPNJ-YIXXDRMTSA-N 1 1 466.547 5.870 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699228 569648464 /nfs/dbraw/zinc/64/84/64/569648464.db2.gz UUULAZICRIRMQA-SHQCIBLASA-N 1 1 460.618 5.497 50 0 JKAAMO 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C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1ccccc1F ZINC000034707898 569650149 /nfs/dbraw/zinc/65/01/49/569650149.db2.gz MHAYIKSPAWPOMJ-MRXNPFEDSA-N 1 1 493.011 5.509 50 0 JKAAMO C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1ccccc1F ZINC000034707898 569650150 /nfs/dbraw/zinc/65/01/50/569650150.db2.gz MHAYIKSPAWPOMJ-MRXNPFEDSA-N 1 1 493.011 5.509 50 0 JKAAMO Fc1ccccc1C[N@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707926 569650160 /nfs/dbraw/zinc/65/01/60/569650160.db2.gz OEJYDAZWHRELHM-UHFFFAOYSA-N 1 1 493.030 5.830 50 0 JKAAMO Cn1cccc1C[N@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707929 569650174 /nfs/dbraw/zinc/65/01/74/569650174.db2.gz RKKUVWYYSRWOSB-UHFFFAOYSA-N 1 1 478.044 5.029 50 0 JKAAMO Clc1ccc(-c2nnc3c4ccccc4nc(N4CC[NH+](Cc5ccccc5Cl)CC4)n23)cc1 ZINC000034708025 569650264 /nfs/dbraw/zinc/65/02/64/569650264.db2.gz KTZFLTPNKOUANY-UHFFFAOYSA-N 1 1 489.410 5.574 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000034711428 569650831 /nfs/dbraw/zinc/65/08/31/569650831.db2.gz LCEMTHGHRHBMCJ-CLJLJLNGSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711505 569650842 /nfs/dbraw/zinc/65/08/42/569650842.db2.gz SLUQSLYJFCDIDV-IZZNHLLZSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000034711427 569650873 /nfs/dbraw/zinc/65/08/73/569650873.db2.gz LCEMTHGHRHBMCJ-UIOOFZCWSA-N 1 1 460.593 5.107 50 0 JKAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000034714723 569651558 /nfs/dbraw/zinc/65/15/58/569651558.db2.gz WKFYTYCQGLFRDF-VWLOTQADSA-N 1 1 458.643 5.236 50 0 JKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716729 569651667 /nfs/dbraw/zinc/65/16/67/569651667.db2.gz HVCVFPRPDMCTRX-OUIFVKKZSA-N 1 1 490.619 5.634 50 0 JKAAMO O=C(NCc1cccc(F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034716756 569651725 /nfs/dbraw/zinc/65/17/25/569651725.db2.gz QQDBQAHLJNTDJQ-LEWJYISDSA-N 1 1 456.483 5.165 50 0 JKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716688 569651750 /nfs/dbraw/zinc/65/17/50/569651750.db2.gz RXVYFVAAOOIJSL-BUUDZMLXSA-N 1 1 465.012 6.271 50 0 JKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716728 569651753 /nfs/dbraw/zinc/65/17/53/569651753.db2.gz HVCVFPRPDMCTRX-RMUDUWAUSA-N 1 1 490.619 5.634 50 0 JKAAMO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000034716683 569651778 /nfs/dbraw/zinc/65/17/78/569651778.db2.gz ZAXWZCNDEVHJJM-VXKWHMMOSA-N 1 1 466.984 6.041 50 0 JKAAMO Cc1cc([C@@H]2C[C@H](C(=O)N(C)Cc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716824 569651859 /nfs/dbraw/zinc/65/18/59/569651859.db2.gz UYJWXNNRHYKFDR-RPBOFIJWSA-N 1 1 465.012 6.052 50 0 JKAAMO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2F)CC1 ZINC000034728161 569653181 /nfs/dbraw/zinc/65/31/81/569653181.db2.gz MGGQFEAEAKUGBC-XMMPIXPASA-N 1 1 472.963 5.959 50 0 JKAAMO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3ccc(F)cc3F)CC2)n1 ZINC000034729926 569653279 /nfs/dbraw/zinc/65/32/79/569653279.db2.gz YIBLAHVQZPLVPR-UHFFFAOYSA-N 1 1 453.508 5.117 50 0 JKAAMO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@@H+](Cc2cccc(F)c2)C1 ZINC000034733673 569653412 /nfs/dbraw/zinc/65/34/12/569653412.db2.gz FLOBESPAVDAICB-FTJBHMTQSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733445 569653546 /nfs/dbraw/zinc/65/35/46/569653546.db2.gz JVMLLBZFXANGEU-NHCUHLMSSA-N 1 1 466.528 5.226 50 0 JKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034733587 569653556 /nfs/dbraw/zinc/65/35/56/569653556.db2.gz HYMBZCUTRKQPOP-SXOMAYOGSA-N 1 1 471.620 5.089 50 0 JKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034733596 569653571 /nfs/dbraw/zinc/65/35/71/569653571.db2.gz HYMBZCUTRKQPOP-RRPNLBNLSA-N 1 1 471.620 5.089 50 0 JKAAMO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)o2)cc1 ZINC000065036838 569653663 /nfs/dbraw/zinc/65/36/63/569653663.db2.gz RSWUOYQDYISGMH-QHCPKHFHSA-N 1 1 488.676 6.618 50 0 JKAAMO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)o2)cc1 ZINC000065036839 569653706 /nfs/dbraw/zinc/65/37/06/569653706.db2.gz RSWUOYQDYISGMH-HSZRJFAPSA-N 1 1 488.676 6.618 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055125 569654040 /nfs/dbraw/zinc/65/40/40/569654040.db2.gz IFMSRKTYOQOYMY-HXUWFJFHSA-N 1 1 478.612 6.059 50 0 JKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000034739932 569655064 /nfs/dbraw/zinc/65/50/64/569655064.db2.gz YJDWVSYNFLLGEO-JBRSBNLGSA-N 1 1 469.025 5.095 50 0 JKAAMO COc1ccccc1[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000034740139 569655325 /nfs/dbraw/zinc/65/53/25/569655325.db2.gz SOXPZLPOWAIHGP-WJOKGBTCSA-N 1 1 472.673 6.455 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034788023 569659970 /nfs/dbraw/zinc/65/99/70/569659970.db2.gz KTGJEFKJOTUTIS-FIPFOOKPSA-N 1 1 495.733 5.281 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034788023 569659971 /nfs/dbraw/zinc/65/99/71/569659971.db2.gz KTGJEFKJOTUTIS-FIPFOOKPSA-N 1 1 495.733 5.281 50 0 JKAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1 ZINC000065097953 569661681 /nfs/dbraw/zinc/66/16/81/569661681.db2.gz VFCRVAQBTLLDMT-UHFFFAOYSA-N 1 1 492.986 5.134 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830333 569663902 /nfs/dbraw/zinc/66/39/02/569663902.db2.gz IRXHKOJMANALLP-KHVXQDHOSA-N 1 1 495.733 5.280 50 0 JKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000034830318 569663939 /nfs/dbraw/zinc/66/39/39/569663939.db2.gz JUAZDCJVQRSAOU-RBISFHTESA-N 1 1 493.717 5.034 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833963 569664701 /nfs/dbraw/zinc/66/47/01/569664701.db2.gz DVVSWJHIVMKAMV-HXUWFJFHSA-N 1 1 471.580 5.197 50 0 JKAAMO CCN1CCN(c2c(C[N@H+](Cc3ccc(C)cc3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836388 569665192 /nfs/dbraw/zinc/66/51/92/569665192.db2.gz RVDMTVKTOQBPHM-UHFFFAOYSA-N 1 1 463.645 5.181 50 0 JKAAMO CCN1CCN(c2c(C[N@@H+](Cc3ccc(C)cc3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836388 569665194 /nfs/dbraw/zinc/66/51/94/569665194.db2.gz RVDMTVKTOQBPHM-UHFFFAOYSA-N 1 1 463.645 5.181 50 0 JKAAMO CCN1CCN(c2c(C[N@@H+](Cc3cccc(OC)c3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836373 569665327 /nfs/dbraw/zinc/66/53/27/569665327.db2.gz GKWIKLAZWSZADV-UHFFFAOYSA-N 1 1 493.671 5.129 50 0 JKAAMO CCN1CCN(c2c(C[N@H+](Cc3cccc(OC)c3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836373 569665328 /nfs/dbraw/zinc/66/53/28/569665328.db2.gz GKWIKLAZWSZADV-UHFFFAOYSA-N 1 1 493.671 5.129 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836410 569665535 /nfs/dbraw/zinc/66/55/35/569665535.db2.gz RUACSUVOFHMWQL-XMMPIXPASA-N 1 1 491.699 5.879 50 0 JKAAMO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836410 569665536 /nfs/dbraw/zinc/66/55/36/569665536.db2.gz RUACSUVOFHMWQL-XMMPIXPASA-N 1 1 491.699 5.879 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000034836679 569665902 /nfs/dbraw/zinc/66/59/02/569665902.db2.gz CUCBDWNYHIYURQ-XMMPIXPASA-N 1 1 471.693 5.263 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1sccc1C)C(C)C ZINC000034836633 569665974 /nfs/dbraw/zinc/66/59/74/569665974.db2.gz WQAOIONEYDWOBT-UHFFFAOYSA-N 1 1 465.711 5.275 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1cc(C)ccc1C)C(C)C ZINC000034836658 569666021 /nfs/dbraw/zinc/66/60/21/569666021.db2.gz ITGSHSSVWPVFQO-UHFFFAOYSA-N 1 1 473.709 5.522 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CC)Cc1cc(C)ccc1C ZINC000034836780 569666035 /nfs/dbraw/zinc/66/60/35/569666035.db2.gz VGZWXURHOJOXLP-UHFFFAOYSA-N 1 1 459.682 5.134 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](C[C@H](C)c1ccccc1)C(C)C ZINC000034836640 569666066 /nfs/dbraw/zinc/66/60/66/569666066.db2.gz KHJMSQMYBHSWIX-VWLOTQADSA-N 1 1 473.709 5.509 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CCCc1ccccc1)C1CC1 ZINC000034836673 569666111 /nfs/dbraw/zinc/66/61/11/569666111.db2.gz WTBNTHOWLWEXFF-UHFFFAOYSA-N 1 1 471.693 5.092 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000034836844 569666136 /nfs/dbraw/zinc/66/61/36/569666136.db2.gz NOSAYHLSHMFARR-UHFFFAOYSA-N 1 1 473.709 5.604 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1ccc(C)cc1C)C(C)C ZINC000034836844 569666138 /nfs/dbraw/zinc/66/61/38/569666138.db2.gz NOSAYHLSHMFARR-UHFFFAOYSA-N 1 1 473.709 5.604 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(CC)cc1 ZINC000034836934 569666254 /nfs/dbraw/zinc/66/62/54/569666254.db2.gz ILJOIBFMHJKJSA-UHFFFAOYSA-N 1 1 473.709 5.551 50 0 JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(CC)cc1 ZINC000034836934 569666255 /nfs/dbraw/zinc/66/62/55/569666255.db2.gz ILJOIBFMHJKJSA-UHFFFAOYSA-N 1 1 473.709 5.551 50 0 JKAAMO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000034878948 569668715 /nfs/dbraw/zinc/66/87/15/569668715.db2.gz YKNOVLLVFCLDGI-MHZLTWQESA-N 1 1 456.611 5.394 50 0 JKAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)cc1 ZINC000067713864 569690913 /nfs/dbraw/zinc/69/09/13/569690913.db2.gz SWNKDBZHOPXFFC-UHFFFAOYSA-N 1 1 454.526 5.092 50 0 JKAAMO COC(=O)c1ccc(C[N@H+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)cc1 ZINC000067713864 569690914 /nfs/dbraw/zinc/69/09/14/569690914.db2.gz SWNKDBZHOPXFFC-UHFFFAOYSA-N 1 1 454.526 5.092 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000035415633 569692161 /nfs/dbraw/zinc/69/21/61/569692161.db2.gz AJQGTBLRFBMPQT-TZIWHRDSSA-N 1 1 495.733 6.439 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000035415633 569692162 /nfs/dbraw/zinc/69/21/62/569692162.db2.gz AJQGTBLRFBMPQT-TZIWHRDSSA-N 1 1 495.733 6.439 50 0 JKAAMO CC(C)c1c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787547 569692173 /nfs/dbraw/zinc/69/21/73/569692173.db2.gz SGGICGDAXHWBSV-OAQYLSRUSA-N 1 1 485.554 5.194 50 0 JKAAMO CC(C)c1c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787545 569692194 /nfs/dbraw/zinc/69/21/94/569692194.db2.gz SGGICGDAXHWBSV-NRFANRHFSA-N 1 1 485.554 5.194 50 0 JKAAMO Cc1[nH+]cn(CC(=O)N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)c2ccc(C)c(C)c2)c1C ZINC000069419766 569692996 /nfs/dbraw/zinc/69/29/96/569692996.db2.gz AVUZBHBLQVLPPN-UKILVPOCSA-N 1 1 474.649 5.201 50 0 JKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427024 569694067 /nfs/dbraw/zinc/69/40/67/569694067.db2.gz YJWJNQITMDQQRS-JOCHJYFZSA-N 1 1 455.027 5.205 50 0 JKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427024 569694068 /nfs/dbraw/zinc/69/40/68/569694068.db2.gz YJWJNQITMDQQRS-JOCHJYFZSA-N 1 1 455.027 5.205 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC)CC[N@H+](C)C3 ZINC000035426963 569694097 /nfs/dbraw/zinc/69/40/97/569694097.db2.gz CLKLVYZDQUVQID-HXUWFJFHSA-N 1 1 499.036 5.466 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC)CC[N@@H+](C)C3 ZINC000035426963 569694098 /nfs/dbraw/zinc/69/40/98/569694098.db2.gz CLKLVYZDQUVQID-HXUWFJFHSA-N 1 1 499.036 5.466 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427051 569694177 /nfs/dbraw/zinc/69/41/77/569694177.db2.gz QHTKRPMGOXAVMC-RUZDIDTESA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427051 569694178 /nfs/dbraw/zinc/69/41/78/569694178.db2.gz QHTKRPMGOXAVMC-RUZDIDTESA-N 1 1 490.579 5.942 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427408 569694198 /nfs/dbraw/zinc/69/41/98/569694198.db2.gz SZHKVZUBLYQMNC-SANMLTNESA-N 1 1 476.690 5.886 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427388 569694243 /nfs/dbraw/zinc/69/42/43/569694243.db2.gz NAIUCINKIONNDB-MHZLTWQESA-N 1 1 482.653 6.362 50 0 JKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427047 569694286 /nfs/dbraw/zinc/69/42/86/569694286.db2.gz GUTSCEYOYWOBKG-SANMLTNESA-N 1 1 486.616 6.111 50 0 JKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427047 569694288 /nfs/dbraw/zinc/69/42/88/569694288.db2.gz GUTSCEYOYWOBKG-SANMLTNESA-N 1 1 486.616 6.111 50 0 JKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427048 569694300 /nfs/dbraw/zinc/69/43/00/569694300.db2.gz GUTSCEYOYWOBKG-AREMUKBSSA-N 1 1 486.616 6.111 50 0 JKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427048 569694301 /nfs/dbraw/zinc/69/43/01/569694301.db2.gz GUTSCEYOYWOBKG-AREMUKBSSA-N 1 1 486.616 6.111 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427096 569694314 /nfs/dbraw/zinc/69/43/14/569694314.db2.gz DYASWTIAHNIFHE-RUZDIDTESA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427096 569694316 /nfs/dbraw/zinc/69/43/16/569694316.db2.gz DYASWTIAHNIFHE-RUZDIDTESA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000035427060 569694324 /nfs/dbraw/zinc/69/43/24/569694324.db2.gz LLHSQMHDWCATKN-RUZDIDTESA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000035427060 569694326 /nfs/dbraw/zinc/69/43/26/569694326.db2.gz LLHSQMHDWCATKN-RUZDIDTESA-N 1 1 495.092 6.127 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427452 569694469 /nfs/dbraw/zinc/69/44/69/569694469.db2.gz SGHROLYPANIDSO-AREMUKBSSA-N 1 1 486.616 6.193 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)C1CCCCC1 ZINC000035528891 569700010 /nfs/dbraw/zinc/70/00/10/569700010.db2.gz FISDFNFFMDNAOX-UHFFFAOYSA-N 1 1 477.093 5.523 50 0 JKAAMO CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000072328665 569702459 /nfs/dbraw/zinc/70/24/59/569702459.db2.gz UHCOHNFFTUSPBS-UHFFFAOYSA-N 1 1 494.639 5.803 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000072330372 569702734 /nfs/dbraw/zinc/70/27/34/569702734.db2.gz RXLGJHRPYZIAAS-RTFZILSDSA-N 1 1 465.634 5.590 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000072330373 569702781 /nfs/dbraw/zinc/70/27/81/569702781.db2.gz RXLGJHRPYZIAAS-PDIWNELESA-N 1 1 465.634 5.590 50 0 biogenic JKAAMO CCCCOc1ccccc1-c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]n1 ZINC000072331259 569702838 /nfs/dbraw/zinc/70/28/38/569702838.db2.gz TZPCZQWGCREBNU-UHFFFAOYSA-N 1 1 494.639 5.803 50 0 JKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)occ3C(C)(C)C ZINC000079192254 569707182 /nfs/dbraw/zinc/70/71/82/569707182.db2.gz XZPWPQUJWAGMDW-FDDCHVKYSA-N 1 1 464.606 5.068 50 0 biogenic JKAAMO CCCCCc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC2CCCCC2)cc1 ZINC000035703040 569707367 /nfs/dbraw/zinc/70/73/67/569707367.db2.gz PJSKOFKPCWQHAV-UHFFFAOYSA-N 1 1 495.667 8.006 50 0 JKAAMO COc1ccc(C(=O)Oc2cccc(-c3[nH+]c4c(C)cccn4c3NC(C)(C)CC(C)(C)C)c2)cc1 ZINC000035703251 569707395 /nfs/dbraw/zinc/70/73/95/569707395.db2.gz FSKIOSWRPFVDQK-UHFFFAOYSA-N 1 1 485.628 7.164 50 0 JKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084001974 569708835 /nfs/dbraw/zinc/70/88/35/569708835.db2.gz BSFZEHVOBUVXQL-OLZOCXBDSA-N 1 1 486.325 5.262 50 0 JKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084001974 569708837 /nfs/dbraw/zinc/70/88/37/569708837.db2.gz BSFZEHVOBUVXQL-OLZOCXBDSA-N 1 1 486.325 5.262 50 0 JKAAMO COC(=O)[C@@H]([NH3+])Cc1cc(Cl)c(OCc2cccc3nc(-c4ccccc4)oc32)c(Cl)c1 ZINC000085221233 569709687 /nfs/dbraw/zinc/70/96/87/569709687.db2.gz PTGWNJNFKOSMSB-IBGZPJMESA-N 1 1 471.340 5.423 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccc(C)cc3)nc3ccc(-c4ccc(C(C)=O)cc4)cn32)CC1 ZINC000085421211 569710775 /nfs/dbraw/zinc/71/07/75/569710775.db2.gz LLTHQHZNVOCOLG-UHFFFAOYSA-N 1 1 494.639 5.276 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000085649879 569712329 /nfs/dbraw/zinc/71/23/29/569712329.db2.gz OSFKRCGRQXWBMY-UHFFFAOYSA-N 1 1 465.601 5.529 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000085649736 569712397 /nfs/dbraw/zinc/71/23/97/569712397.db2.gz IROBRDUGJSJQIO-UHFFFAOYSA-N 1 1 469.564 5.278 50 0 JKAAMO Cc1cc(Nc2nc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc3occc32)ccc1Br ZINC000085651281 569713110 /nfs/dbraw/zinc/71/31/10/569713110.db2.gz ISGVABAJFFNASI-QGZVFWFLSA-N 1 1 485.426 5.637 50 0 JKAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840656 569713728 /nfs/dbraw/zinc/71/37/28/569713728.db2.gz PWZPCVANTXBUTN-NDEPHWFRSA-N 1 1 476.661 5.540 50 0 JKAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035840455 569713799 /nfs/dbraw/zinc/71/37/99/569713799.db2.gz WEHJCTGSVGTPCK-MHZLTWQESA-N 1 1 462.634 5.367 50 0 JKAAMO COc1cccc(Cn2cccc2C[N@@H+](C[C@@H](O)COCc2ccco2)CC2CCCCC2)c1 ZINC000035840868 569713927 /nfs/dbraw/zinc/71/39/27/569713927.db2.gz NMNVSEUYZRJBBV-AREMUKBSSA-N 1 1 466.622 5.098 50 0 JKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](C)O ZINC000035842637 569714101 /nfs/dbraw/zinc/71/41/01/569714101.db2.gz BDUKVGJIEFBJPW-QHCPKHFHSA-N 1 1 477.693 5.520 50 0 JKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842635 569714123 /nfs/dbraw/zinc/71/41/23/569714123.db2.gz BDUKVGJIEFBJPW-HSZRJFAPSA-N 1 1 477.693 5.520 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842655 569714208 /nfs/dbraw/zinc/71/42/08/569714208.db2.gz LMQFRKUBRHXOEI-UHFFFAOYSA-N 1 1 491.720 5.766 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000035843715 569714497 /nfs/dbraw/zinc/71/44/97/569714497.db2.gz KQTYQSFNGXYGMI-QFIPXVFZSA-N 1 1 471.881 6.379 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843574 569714632 /nfs/dbraw/zinc/71/46/32/569714632.db2.gz YKBZMPREYIDZJW-QFIPXVFZSA-N 1 1 465.432 5.320 50 0 JKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844786 569715353 /nfs/dbraw/zinc/71/53/53/569715353.db2.gz QJGTYLASPWQGQI-DEOSSOPVSA-N 1 1 474.689 6.758 50 0 JKAAMO CCC[C@H](C(=O)OCC)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000035844778 569715403 /nfs/dbraw/zinc/71/54/03/569715403.db2.gz DMMCEGCTDQSHIG-HHHXNRCGSA-N 1 1 482.665 5.526 50 0 JKAAMO CCC[C@H](C(=O)OCC)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000035844778 569715404 /nfs/dbraw/zinc/71/54/04/569715404.db2.gz DMMCEGCTDQSHIG-HHHXNRCGSA-N 1 1 482.665 5.526 50 0 JKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844749 569715435 /nfs/dbraw/zinc/71/54/35/569715435.db2.gz TXULOXFVVWOZDV-UHFFFAOYSA-N 1 1 474.689 6.759 50 0 JKAAMO COCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844873 569715544 /nfs/dbraw/zinc/71/55/44/569715544.db2.gz HXDSWCMEGGEVTK-UHFFFAOYSA-N 1 1 462.634 5.315 50 0 JKAAMO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844925 569715555 /nfs/dbraw/zinc/71/55/55/569715555.db2.gz WCTFTSFADHDILH-UHFFFAOYSA-N 1 1 466.597 5.227 50 0 JKAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844925 569715556 /nfs/dbraw/zinc/71/55/56/569715556.db2.gz WCTFTSFADHDILH-UHFFFAOYSA-N 1 1 466.597 5.227 50 0 JKAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000085877874 569716038 /nfs/dbraw/zinc/71/60/38/569716038.db2.gz AHYJRBFMXXCQKR-RBJSKKJNSA-N 1 1 467.613 5.600 50 0 biogenic JKAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871739 569718921 /nfs/dbraw/zinc/71/89/21/569718921.db2.gz QAIYRSQDAWAHMC-IYKJZBSOSA-N 1 1 490.047 5.089 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662077 569719539 /nfs/dbraw/zinc/71/95/39/569719539.db2.gz KZIRRLBFCRHIIN-ZWKOTPCHSA-N 1 1 453.505 5.601 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662077 569719540 /nfs/dbraw/zinc/71/95/40/569719540.db2.gz KZIRRLBFCRHIIN-ZWKOTPCHSA-N 1 1 453.505 5.601 50 0 JKAAMO Cc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cn(C)c3ccccc23)cc1 ZINC000035891624 569722139 /nfs/dbraw/zinc/72/21/39/569722139.db2.gz NNNVCCDNYPOPDS-MHZLTWQESA-N 1 1 451.614 5.353 50 0 JKAAMO C[C@H]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CC[NH+](Cc5ccc(F)cc5)CC4)c23)C1 ZINC000035892865 569722582 /nfs/dbraw/zinc/72/25/82/569722582.db2.gz VEJUWFXLFDBDAG-FQEVSTJZSA-N 1 1 486.660 5.868 50 0 JKAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035907995 569723619 /nfs/dbraw/zinc/72/36/19/569723619.db2.gz NKILUCCJUQDYIG-LADGPHEKSA-N 1 1 491.623 5.121 50 0 JKAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)CC2)cc1 ZINC000095538684 569726291 /nfs/dbraw/zinc/72/62/91/569726291.db2.gz QJRQYDKEDDVEPZ-UHFFFAOYSA-N 1 1 467.535 5.266 50 0 JKAAMO Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)c12 ZINC000035924509 569728056 /nfs/dbraw/zinc/72/80/56/569728056.db2.gz JRGSIOLSFXAEIJ-UHFFFAOYSA-N 1 1 492.602 5.176 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)[C@@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926210 569729506 /nfs/dbraw/zinc/72/95/06/569729506.db2.gz SKDMGSISAGKWGJ-SANMLTNESA-N 1 1 472.677 5.880 50 0 JKAAMO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035926135 569729550 /nfs/dbraw/zinc/72/95/50/569729550.db2.gz WDGUONBBRQTNPY-QHCPKHFHSA-N 1 1 468.649 5.740 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)c3cccc(Cl)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926215 569729556 /nfs/dbraw/zinc/72/95/56/569729556.db2.gz HTPAIYDHPGEBHG-UHFFFAOYSA-N 1 1 465.041 5.653 50 0 JKAAMO Fc1ccc(C(CCC[N@@H+]2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918151 569729588 /nfs/dbraw/zinc/72/95/88/569729588.db2.gz UQKJCLZKRJHRBD-UHFFFAOYSA-N 1 1 453.960 7.199 50 0 JKAAMO CCCC[N@H+]1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035927821 569730671 /nfs/dbraw/zinc/73/06/71/569730671.db2.gz RBXXUHFZZFNDRE-UHFFFAOYSA-N 1 1 454.622 5.027 50 0 JKAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000096116437 569735355 /nfs/dbraw/zinc/73/53/55/569735355.db2.gz RXIDSIMTTXMWJU-LAUBAEHRSA-N 1 1 460.405 5.240 50 0 biogenic JKAAMO COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000096116501 569735416 /nfs/dbraw/zinc/73/54/16/569735416.db2.gz VLAWCJBDYSZVPE-JYFHCDHNSA-N 1 1 471.601 5.095 50 0 biogenic JKAAMO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000096280548 569740036 /nfs/dbraw/zinc/74/00/36/569740036.db2.gz UEYGUVPBPJQZSD-LJAQVGFWSA-N 1 1 452.554 5.123 50 0 JKAAMO c1ccc(C[N@H+]2[C@@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000096594050 569742249 /nfs/dbraw/zinc/74/22/49/569742249.db2.gz LZBMMFQTIDLMFA-CZNDPXEESA-N 1 1 483.680 8.619 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990999 569744229 /nfs/dbraw/zinc/74/42/29/569744229.db2.gz FJIJTEFPCBVKKS-JOCHJYFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990999 569744230 /nfs/dbraw/zinc/74/42/30/569744230.db2.gz FJIJTEFPCBVKKS-JOCHJYFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991382 569744488 /nfs/dbraw/zinc/74/44/88/569744488.db2.gz JDCITMOXBKTQAQ-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991382 569744489 /nfs/dbraw/zinc/74/44/89/569744489.db2.gz JDCITMOXBKTQAQ-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007033 569747614 /nfs/dbraw/zinc/74/76/14/569747614.db2.gz RJAVOASLMSYNDF-KODJDXEOSA-N 1 1 465.597 6.567 50 0 JKAAMO COc1cccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)c1 ZINC000036007022 569747620 /nfs/dbraw/zinc/74/76/20/569747620.db2.gz RJGOHYJSNQTSDS-QXNCHVGQSA-N 1 1 477.633 6.436 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042956 569754341 /nfs/dbraw/zinc/75/43/41/569754341.db2.gz DLUWPGPRNFCVPE-LYZGTLIUSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042956 569754343 /nfs/dbraw/zinc/75/43/43/569754343.db2.gz DLUWPGPRNFCVPE-LYZGTLIUSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042961 569754432 /nfs/dbraw/zinc/75/44/32/569754432.db2.gz ILTWYZJZWNCNBQ-PIKZIKFNSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042961 569754433 /nfs/dbraw/zinc/75/44/33/569754433.db2.gz ILTWYZJZWNCNBQ-PIKZIKFNSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043200 569754645 /nfs/dbraw/zinc/75/46/45/569754645.db2.gz HRUITTAHMKSBOC-PIIWDFAUSA-N 1 1 489.616 5.330 50 0 JKAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043200 569754646 /nfs/dbraw/zinc/75/46/46/569754646.db2.gz HRUITTAHMKSBOC-PIIWDFAUSA-N 1 1 489.616 5.330 50 0 JKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C(C)C)c1OC ZINC000036202373 569756980 /nfs/dbraw/zinc/75/69/80/569756980.db2.gz FEEGVQBPUHRYSX-UHFFFAOYSA-N 1 1 483.655 6.115 50 0 JKAAMO COc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C(C)C)c1OC ZINC000036202373 569756982 /nfs/dbraw/zinc/75/69/82/569756982.db2.gz FEEGVQBPUHRYSX-UHFFFAOYSA-N 1 1 483.655 6.115 50 0 JKAAMO CCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202680 569757073 /nfs/dbraw/zinc/75/70/73/569757073.db2.gz OHIOGNSHNBCNOZ-UHFFFAOYSA-N 1 1 451.513 6.156 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202680 569757074 /nfs/dbraw/zinc/75/70/74/569757074.db2.gz OHIOGNSHNBCNOZ-UHFFFAOYSA-N 1 1 451.513 6.156 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COc1ccccc1C ZINC000036246074 569757789 /nfs/dbraw/zinc/75/77/89/569757789.db2.gz ABXFPLRSAYUOOH-QHCPKHFHSA-N 1 1 451.611 5.148 50 0 JKAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000036249661 569757935 /nfs/dbraw/zinc/75/79/35/569757935.db2.gz RTSHLFCPEDJSRM-UHFFFAOYSA-N 1 1 499.631 5.227 50 0 JKAAMO Cc1cccc(C[N@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@H](O)COC(C)C)c1 ZINC000036249913 569758117 /nfs/dbraw/zinc/75/81/17/569758117.db2.gz QIWRTWKMXNEHGY-VWLOTQADSA-N 1 1 465.638 5.283 50 0 JKAAMO 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CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316374 569762768 /nfs/dbraw/zinc/76/27/68/569762768.db2.gz GSQCGVFFXACRBD-QHCPKHFHSA-N 1 1 481.637 5.235 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036316410 569762779 /nfs/dbraw/zinc/76/27/79/569762779.db2.gz ZVLAPHXCUFSJEN-QHCPKHFHSA-N 1 1 493.648 5.376 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036316410 569762780 /nfs/dbraw/zinc/76/27/80/569762780.db2.gz ZVLAPHXCUFSJEN-QHCPKHFHSA-N 1 1 493.648 5.376 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036316407 569762872 /nfs/dbraw/zinc/76/28/72/569762872.db2.gz SMDUPBUUNFWFNM-XMMPIXPASA-N 1 1 493.648 5.234 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036316407 569762873 /nfs/dbraw/zinc/76/28/73/569762873.db2.gz SMDUPBUUNFWFNM-XMMPIXPASA-N 1 1 493.648 5.234 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316462 569763058 /nfs/dbraw/zinc/76/30/58/569763058.db2.gz IQDXOQYCDKHBQD-QFIPXVFZSA-N 1 1 469.601 5.222 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036316512 569763195 /nfs/dbraw/zinc/76/31/95/569763195.db2.gz WCFDRKZNVDXFOB-QHCPKHFHSA-N 1 1 483.628 5.754 50 0 JKAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036341713 569764680 /nfs/dbraw/zinc/76/46/80/569764680.db2.gz RRMFDZGQEKLWDI-RUZDIDTESA-N 1 1 477.992 5.167 50 0 JKAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036341713 569764681 /nfs/dbraw/zinc/76/46/81/569764681.db2.gz RRMFDZGQEKLWDI-RUZDIDTESA-N 1 1 477.992 5.167 50 0 JKAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341506 569764736 /nfs/dbraw/zinc/76/47/36/569764736.db2.gz HLIKFSJPPFRUJF-GDLZYMKVSA-N 1 1 485.603 5.467 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341965 569764981 /nfs/dbraw/zinc/76/49/81/569764981.db2.gz CIRNCRLJAJVLEO-RUZDIDTESA-N 1 1 495.664 5.473 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036342022 569765070 /nfs/dbraw/zinc/76/50/70/569765070.db2.gz GMQXMKFODAEIIW-DEOSSOPVSA-N 1 1 469.601 5.356 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341958 569765100 /nfs/dbraw/zinc/76/51/00/569765100.db2.gz IHKRJLAVVOSWHV-RUZDIDTESA-N 1 1 495.664 5.617 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036342087 569765495 /nfs/dbraw/zinc/76/54/95/569765495.db2.gz ZPIWBANYUURMPD-HSZRJFAPSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036342087 569765496 /nfs/dbraw/zinc/76/54/96/569765496.db2.gz ZPIWBANYUURMPD-HSZRJFAPSA-N 1 1 467.585 5.253 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342132 569765543 /nfs/dbraw/zinc/76/55/43/569765543.db2.gz AFTSCIRUNNUUSC-MHZLTWQESA-N 1 1 469.629 6.526 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342132 569765544 /nfs/dbraw/zinc/76/55/44/569765544.db2.gz AFTSCIRUNNUUSC-MHZLTWQESA-N 1 1 469.629 6.526 50 0 JKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343548 569766395 /nfs/dbraw/zinc/76/63/95/569766395.db2.gz SRCDZQFHTMUUSM-PMERELPUSA-N 1 1 480.656 5.107 50 0 JKAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344367 569766945 /nfs/dbraw/zinc/76/69/45/569766945.db2.gz JMLLCHDWHNFIPW-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344367 569766947 /nfs/dbraw/zinc/76/69/47/569766947.db2.gz JMLLCHDWHNFIPW-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)cc1C ZINC000036344881 569767414 /nfs/dbraw/zinc/76/74/14/569767414.db2.gz FANSPFLPXPLNFA-PMERELPUSA-N 1 1 480.656 5.107 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036345812 569768195 /nfs/dbraw/zinc/76/81/95/569768195.db2.gz ARUSUZQLTNXFKK-HSZRJFAPSA-N 1 1 483.628 5.753 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345823 569768326 /nfs/dbraw/zinc/76/83/26/569768326.db2.gz KVAVRNVXBLSTPT-RDGATRHJSA-N 1 1 479.665 6.058 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345859 569768335 /nfs/dbraw/zinc/76/83/35/569768335.db2.gz QJQOCSXJJFYJCF-HHHXNRCGSA-N 1 1 469.629 6.095 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036345822 569768341 /nfs/dbraw/zinc/76/83/41/569768341.db2.gz WKONNEUVQSFMJK-DHLKQENFSA-N 1 1 465.638 5.668 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345836 569768371 /nfs/dbraw/zinc/76/83/71/569768371.db2.gz YVGZSAAFIAECJM-AREMUKBSSA-N 1 1 479.665 5.773 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036345835 569768397 /nfs/dbraw/zinc/76/83/97/569768397.db2.gz YVGZSAAFIAECJM-SANMLTNESA-N 1 1 479.665 5.773 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345841 569768400 /nfs/dbraw/zinc/76/84/00/569768400.db2.gz XLEHWMAEYDICLC-VWLOTQADSA-N 1 1 479.665 5.915 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036345893 569768418 /nfs/dbraw/zinc/76/84/18/569768418.db2.gz ZBJDRZMBQYECEW-DEOSSOPVSA-N 1 1 463.622 5.422 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036345893 569768419 /nfs/dbraw/zinc/76/84/19/569768419.db2.gz ZBJDRZMBQYECEW-DEOSSOPVSA-N 1 1 463.622 5.422 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345878 569768506 /nfs/dbraw/zinc/76/85/06/569768506.db2.gz IBMAKHMOCDKAMW-VWLOTQADSA-N 1 1 463.622 5.423 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345878 569768507 /nfs/dbraw/zinc/76/85/07/569768507.db2.gz IBMAKHMOCDKAMW-VWLOTQADSA-N 1 1 463.622 5.423 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036345928 569768551 /nfs/dbraw/zinc/76/85/51/569768551.db2.gz JPOQCYHVNYOBNV-XMMPIXPASA-N 1 1 465.638 5.669 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036345991 569768644 /nfs/dbraw/zinc/76/86/44/569768644.db2.gz CVTNDLMCMWYIIA-RUZDIDTESA-N 1 1 489.591 5.164 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036345991 569768645 /nfs/dbraw/zinc/76/86/45/569768645.db2.gz CVTNDLMCMWYIIA-RUZDIDTESA-N 1 1 489.591 5.164 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345982 569768649 /nfs/dbraw/zinc/76/86/49/569768649.db2.gz DPEJRVGNFYGLTQ-JOCHJYFZSA-N 1 1 455.574 5.112 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345982 569768651 /nfs/dbraw/zinc/76/86/51/569768651.db2.gz DPEJRVGNFYGLTQ-JOCHJYFZSA-N 1 1 455.574 5.112 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345963 569768673 /nfs/dbraw/zinc/76/86/73/569768673.db2.gz MSZKJAUIGRUQGM-AREMUKBSSA-N 1 1 487.619 6.174 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345966 569768705 /nfs/dbraw/zinc/76/87/05/569768705.db2.gz DNTZGCMDGLWPII-XMMPIXPASA-N 1 1 483.628 5.604 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036346051 569768753 /nfs/dbraw/zinc/76/87/53/569768753.db2.gz DRQZEXFBDUFOHD-QFIPXVFZSA-N 1 1 455.574 5.110 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346046 569768781 /nfs/dbraw/zinc/76/87/81/569768781.db2.gz NLCPGBLUOJOKPX-QHCPKHFHSA-N 1 1 469.601 5.502 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346090 569768879 /nfs/dbraw/zinc/76/88/79/569768879.db2.gz SSRSCRGAAYVQAA-XMMPIXPASA-N 1 1 481.612 5.358 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346211 569769185 /nfs/dbraw/zinc/76/91/85/569769185.db2.gz DINYZNJWZXOZFM-DEOSSOPVSA-N 1 1 453.602 6.121 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036346249 569769216 /nfs/dbraw/zinc/76/92/16/569769216.db2.gz CQKVQWKCJAYHCT-AREMUKBSSA-N 1 1 489.591 5.164 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036346249 569769217 /nfs/dbraw/zinc/76/92/17/569769217.db2.gz CQKVQWKCJAYHCT-AREMUKBSSA-N 1 1 489.591 5.164 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346220 569769322 /nfs/dbraw/zinc/76/93/22/569769322.db2.gz XLQWLJIEIXNCLP-MHZLTWQESA-N 1 1 487.619 6.174 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036346294 569769438 /nfs/dbraw/zinc/76/94/38/569769438.db2.gz UQDYIPPOAFIYLA-SANMLTNESA-N 1 1 473.592 5.926 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000036346326 569769548 /nfs/dbraw/zinc/76/95/48/569769548.db2.gz WHASPQWBTNRBQN-CVDCTZTESA-N 1 1 455.574 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036346346 569769640 /nfs/dbraw/zinc/76/96/40/569769640.db2.gz RPXBGPYEOPSYES-XMMPIXPASA-N 1 1 467.585 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036346346 569769641 /nfs/dbraw/zinc/76/96/41/569769641.db2.gz RPXBGPYEOPSYES-XMMPIXPASA-N 1 1 467.585 5.110 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346398 569769803 /nfs/dbraw/zinc/76/98/03/569769803.db2.gz JTLJZKUZOYJYGL-AHWVRZQESA-N 1 1 481.612 5.644 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346398 569769804 /nfs/dbraw/zinc/76/98/04/569769804.db2.gz JTLJZKUZOYJYGL-AHWVRZQESA-N 1 1 481.612 5.644 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346423 569769809 /nfs/dbraw/zinc/76/98/09/569769809.db2.gz UJIXXXCGERBUAW-HHHXNRCGSA-N 1 1 485.603 5.928 50 0 JKAAMO COC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346504 569769856 /nfs/dbraw/zinc/76/98/56/569769856.db2.gz UUEWOVWFWXVSOK-HSZRJFAPSA-N 1 1 479.621 5.016 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346481 569769865 /nfs/dbraw/zinc/76/98/65/569769865.db2.gz ZGMJIUGUJZENOA-DEOSSOPVSA-N 1 1 493.648 5.547 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@H](O)COC(C)C)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346481 569769866 /nfs/dbraw/zinc/76/98/66/569769866.db2.gz ZGMJIUGUJZENOA-DEOSSOPVSA-N 1 1 493.648 5.547 50 0 JKAAMO COC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346477 569769892 /nfs/dbraw/zinc/76/98/92/569769892.db2.gz MMBQQZLJSBIPIE-QFIPXVFZSA-N 1 1 467.610 5.014 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346510 569769904 /nfs/dbraw/zinc/76/99/04/569769904.db2.gz VNUNBOSZXKYTFG-RUZDIDTESA-N 1 1 479.665 5.779 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346523 569769925 /nfs/dbraw/zinc/76/99/25/569769925.db2.gz ZCQMRZGJTJRQSN-QHCPKHFHSA-N 1 1 451.611 5.143 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)COC ZINC000036346498 569769991 /nfs/dbraw/zinc/76/99/91/569769991.db2.gz JWXZFACYNATHHL-JOCHJYFZSA-N 1 1 467.610 5.016 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346502 569770001 /nfs/dbraw/zinc/77/00/01/569770001.db2.gz QKNJISXGQMSZFN-XMMPIXPASA-N 1 1 479.665 6.560 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346579 569770050 /nfs/dbraw/zinc/77/00/50/569770050.db2.gz QYISATQGIOHHCC-QFIPXVFZSA-N 1 1 473.564 5.248 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036346598 569770142 /nfs/dbraw/zinc/77/01/42/569770142.db2.gz NYALNCDPWDHVKX-VWLOTQADSA-N 1 1 491.582 6.067 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346633 569770282 /nfs/dbraw/zinc/77/02/82/569770282.db2.gz LBCYWJPDRPPCGH-QHCPKHFHSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346633 569770283 /nfs/dbraw/zinc/77/02/83/569770283.db2.gz LBCYWJPDRPPCGH-QHCPKHFHSA-N 1 1 473.564 5.251 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346663 569770379 /nfs/dbraw/zinc/77/03/79/569770379.db2.gz HDZUGXYIFBVVSV-QHCPKHFHSA-N 1 1 487.591 5.639 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036346724 569770603 /nfs/dbraw/zinc/77/06/03/569770603.db2.gz ZEGWMUVDADRPQD-XMMPIXPASA-N 1 1 485.575 5.249 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036346724 569770604 /nfs/dbraw/zinc/77/06/04/569770604.db2.gz ZEGWMUVDADRPQD-XMMPIXPASA-N 1 1 485.575 5.249 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346719 569770650 /nfs/dbraw/zinc/77/06/50/569770650.db2.gz JLJDYGGNNOXVNW-QHCPKHFHSA-N 1 1 471.548 5.002 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346719 569770651 /nfs/dbraw/zinc/77/06/51/569770651.db2.gz JLJDYGGNNOXVNW-QHCPKHFHSA-N 1 1 471.548 5.002 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346796 569770759 /nfs/dbraw/zinc/77/07/59/569770759.db2.gz CHBYBMLZALWBDH-VWLOTQADSA-N 1 1 479.665 5.823 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036346749 569770765 /nfs/dbraw/zinc/77/07/65/569770765.db2.gz BUZXDEYPNGORLL-AREMUKBSSA-N 1 1 491.582 6.067 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346772 569770852 /nfs/dbraw/zinc/77/08/52/569770852.db2.gz DDUDKQRIHNLZLJ-XMMPIXPASA-N 1 1 465.638 5.432 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346795 569770855 /nfs/dbraw/zinc/77/08/55/569770855.db2.gz CHBYBMLZALWBDH-RUZDIDTESA-N 1 1 479.665 5.823 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346768 569770861 /nfs/dbraw/zinc/77/08/61/569770861.db2.gz HEBPBEQUUQKFTH-HSZRJFAPSA-N 1 1 457.565 6.014 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346773 569770867 /nfs/dbraw/zinc/77/08/67/569770867.db2.gz UWQOYRBKSBGHTC-HHHXNRCGSA-N 1 1 483.656 6.249 50 0 JKAAMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347427 569770979 /nfs/dbraw/zinc/77/09/79/569770979.db2.gz CNEINZRAQNPFAQ-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347427 569770980 /nfs/dbraw/zinc/77/09/80/569770980.db2.gz CNEINZRAQNPFAQ-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347352 569771010 /nfs/dbraw/zinc/77/10/10/569771010.db2.gz QYNZFNDAEFLUEU-MHZLTWQESA-N 1 1 462.515 7.295 50 0 JKAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000036347689 569771029 /nfs/dbraw/zinc/77/10/29/569771029.db2.gz AAIQPLSEIGLZLL-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000036347689 569771030 /nfs/dbraw/zinc/77/10/30/569771030.db2.gz AAIQPLSEIGLZLL-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000036347373 569771045 /nfs/dbraw/zinc/77/10/45/569771045.db2.gz ZQDFFZMJIHBFHA-JOCHJYFZSA-N 1 1 460.496 5.528 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000036347373 569771046 /nfs/dbraw/zinc/77/10/46/569771046.db2.gz ZQDFFZMJIHBFHA-JOCHJYFZSA-N 1 1 460.496 5.528 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346814 569771065 /nfs/dbraw/zinc/77/10/65/569771065.db2.gz WTKFVCJZKFJSMO-ZCYQVOJMSA-N 1 1 479.665 5.822 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346818 569771084 /nfs/dbraw/zinc/77/10/84/569771084.db2.gz DIUQGRGQPGNNAG-UPVQGACJSA-N 1 1 479.665 5.964 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000036347372 569771096 /nfs/dbraw/zinc/77/10/96/569771096.db2.gz ZQDFFZMJIHBFHA-QFIPXVFZSA-N 1 1 460.496 5.528 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000036347372 569771097 /nfs/dbraw/zinc/77/10/97/569771097.db2.gz ZQDFFZMJIHBFHA-QFIPXVFZSA-N 1 1 460.496 5.528 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036628174 569779051 /nfs/dbraw/zinc/77/90/51/569779051.db2.gz FMPDECPJORWZCK-UHFFFAOYSA-N 1 1 473.580 5.358 50 0 JKAAMO COc1ccccc1[C@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[NH+](C)C ZINC000036684527 569779873 /nfs/dbraw/zinc/77/98/73/569779873.db2.gz RIROQYMMODQDLS-DEOSSOPVSA-N 1 1 469.585 5.369 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276292 569782151 /nfs/dbraw/zinc/78/21/51/569782151.db2.gz OYTMRPUISWKNIR-LEAFIULHSA-N 1 1 492.610 5.987 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276308 569782193 /nfs/dbraw/zinc/78/21/93/569782193.db2.gz GNOYEOYBGUZXFS-ABYGYWHVSA-N 1 1 492.610 5.987 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3F)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000037280053 569782491 /nfs/dbraw/zinc/78/24/91/569782491.db2.gz MOSIZFBSQYXJLO-UHFFFAOYSA-N 1 1 452.595 5.302 50 0 JKAAMO COc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037280298 569782511 /nfs/dbraw/zinc/78/25/11/569782511.db2.gz SZLIKOIKPKJNGR-UHFFFAOYSA-N 1 1 450.529 5.593 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)C1CCCC1 ZINC000037377938 569784486 /nfs/dbraw/zinc/78/44/86/569784486.db2.gz NVEGNDQHCJYUJU-UHFFFAOYSA-N 1 1 474.624 5.497 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)C1CCCC1 ZINC000037377938 569784487 /nfs/dbraw/zinc/78/44/87/569784487.db2.gz NVEGNDQHCJYUJU-UHFFFAOYSA-N 1 1 474.624 5.497 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC000037384667 569785699 /nfs/dbraw/zinc/78/56/99/569785699.db2.gz XZYFUHZCGDDWPJ-UHFFFAOYSA-N 1 1 498.046 5.106 50 0 JKAAMO CCC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397363 569786752 /nfs/dbraw/zinc/78/67/52/569786752.db2.gz BKRNHAFLFGSWFK-HSZRJFAPSA-N 1 1 473.448 5.439 50 0 JKAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037398418 569787249 /nfs/dbraw/zinc/78/72/49/569787249.db2.gz OGOOSQGAHQCGKS-OAQYLSRUSA-N 1 1 459.421 5.049 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523989 569792923 /nfs/dbraw/zinc/79/29/23/569792923.db2.gz LWLHMMLMCJRQTI-LADGPHEKSA-N 1 1 458.593 5.330 50 0 JKAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1C)C(=O)C(C)C ZINC000037523675 569792944 /nfs/dbraw/zinc/79/29/44/569792944.db2.gz XPEYLXKWZFOJEJ-RCZVLFRGSA-N 1 1 476.583 5.360 50 0 JKAAMO CC(C)(C)c1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sccc32)cc1 ZINC000037526056 569793718 /nfs/dbraw/zinc/79/37/18/569793718.db2.gz UUPTXGPNRIONJA-UHFFFAOYSA-N 1 1 471.670 6.007 50 0 JKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037570555 569795653 /nfs/dbraw/zinc/79/56/53/569795653.db2.gz GUKBFJIWERZZFJ-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000037560578 569795655 /nfs/dbraw/zinc/79/56/55/569795655.db2.gz KDUAGTMMPSRUBY-UHFFFAOYSA-N 1 1 471.022 5.209 50 0 JKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037570556 569795804 /nfs/dbraw/zinc/79/58/04/569795804.db2.gz OVZMYXHFBSLZHC-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037571126 569795933 /nfs/dbraw/zinc/79/59/33/569795933.db2.gz VLDRFMVMRCHWPY-UHFFFAOYSA-N 1 1 482.621 5.311 50 0 JKAAMO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587648 569796762 /nfs/dbraw/zinc/79/67/62/569796762.db2.gz DKEWGXHRHNYMOH-UHFFFAOYSA-N 1 1 466.528 5.293 50 0 JKAAMO COc1ccccc1OCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000038473929 569801327 /nfs/dbraw/zinc/80/13/27/569801327.db2.gz FFZGDNBZNMTOCK-XMMPIXPASA-N 1 1 496.607 5.651 50 0 in-vitro JKAAMO CCc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545935 569802426 /nfs/dbraw/zinc/80/24/26/569802426.db2.gz SIIRTYJGOOFTIM-OAQYLSRUSA-N 1 1 473.436 6.494 50 0 JKAAMO CCc1cc([C@@H](c2ccc(OC)cc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545941 569802430 /nfs/dbraw/zinc/80/24/30/569802430.db2.gz DELARWMEPQWBFQ-HSZRJFAPSA-N 1 1 454.592 5.748 50 0 JKAAMO CCc1cc([C@H](c2cccc(Br)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545938 569802571 /nfs/dbraw/zinc/80/25/71/569802571.db2.gz VQQXWJGIAQGNRZ-NRFANRHFSA-N 1 1 473.436 6.494 50 0 JKAAMO Cc1cc([C@@H](c2cccc(Br)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546261 569802787 /nfs/dbraw/zinc/80/27/87/569802787.db2.gz ALNGZYJTGYHNNQ-OAQYLSRUSA-N 1 1 473.436 6.486 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(C)cc2)CC1 ZINC000038546370 569802948 /nfs/dbraw/zinc/80/29/48/569802948.db2.gz AHRFLXMCIBRJHO-HSZRJFAPSA-N 1 1 466.603 5.575 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2cccc(OC)c2)CC1 ZINC000038546347 569803009 /nfs/dbraw/zinc/80/30/09/569803009.db2.gz BLEKEGWHPCFYQV-HSZRJFAPSA-N 1 1 482.602 5.275 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546394 569803056 /nfs/dbraw/zinc/80/30/56/569803056.db2.gz WJIOPJCOOPHZNH-XMMPIXPASA-N 1 1 493.629 5.232 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546392 569803114 /nfs/dbraw/zinc/80/31/14/569803114.db2.gz FTPNXWJKTDMZJY-XMMPIXPASA-N 1 1 493.629 5.232 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(C(C)C)cc2)CC1 ZINC000038546373 569803116 /nfs/dbraw/zinc/80/31/16/569803116.db2.gz QDKYTGZTOABGEN-VWLOTQADSA-N 1 1 494.657 6.390 50 0 JKAAMO CC(C)c1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546516 569803187 /nfs/dbraw/zinc/80/31/87/569803187.db2.gz XWCGCZMIOHKZHN-AREMUKBSSA-N 1 1 477.674 5.932 50 0 JKAAMO CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546514 569803239 /nfs/dbraw/zinc/80/32/39/569803239.db2.gz MMDMJHDRLLQZSU-XMMPIXPASA-N 1 1 481.687 5.531 50 0 JKAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2Cl)CC1 ZINC000038546497 569803296 /nfs/dbraw/zinc/80/32/96/569803296.db2.gz KGIFZUCQXYVRDU-HSZRJFAPSA-N 1 1 470.038 5.462 50 0 JKAAMO CCc1cc([C@H](c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546481 569803304 /nfs/dbraw/zinc/80/33/04/569803304.db2.gz KOFLTSXKKKPRMU-NRFANRHFSA-N 1 1 478.445 5.799 50 0 JKAAMO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546752 569803535 /nfs/dbraw/zinc/80/35/35/569803535.db2.gz ZYIRCKIEXVRQCT-HSZRJFAPSA-N 1 1 469.676 5.414 50 0 JKAAMO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546754 569803578 /nfs/dbraw/zinc/80/35/78/569803578.db2.gz MODYJKMKHYHWGA-QFIPXVFZSA-N 1 1 471.717 5.737 50 0 JKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000038547514 569803829 /nfs/dbraw/zinc/80/38/29/569803829.db2.gz PAXJINFUEZANNQ-SANMLTNESA-N 1 1 487.625 6.539 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c1C ZINC000038547618 569804051 /nfs/dbraw/zinc/80/40/51/569804051.db2.gz BWVWQFWSHLQVRU-QFIPXVFZSA-N 1 1 485.531 7.134 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(OC(F)F)cc2)c1C ZINC000038547662 569804062 /nfs/dbraw/zinc/80/40/62/569804062.db2.gz CUPWOGGVNOHGBR-JOCHJYFZSA-N 1 1 483.540 6.717 50 0 JKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038547532 569804142 /nfs/dbraw/zinc/80/41/42/569804142.db2.gz WLZDZRCVQYDKBO-RUZDIDTESA-N 1 1 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COc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c1 ZINC000105018894 569851181 /nfs/dbraw/zinc/85/11/81/569851181.db2.gz LLKDNABYKWXPPT-JDXGNMNLSA-N 1 1 470.657 6.018 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105022463 569851267 /nfs/dbraw/zinc/85/12/67/569851267.db2.gz PETXHXVPZODTIH-BTYSJIOQSA-N 1 1 456.630 5.682 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)N(C)Cc4ccco4)cc3[C@H]2c2ccccc2)c1 ZINC000105034756 569851467 /nfs/dbraw/zinc/85/14/67/569851467.db2.gz VUFGREGMGZHINS-WBBHLRKXSA-N 1 1 494.635 6.162 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000105042112 569851574 /nfs/dbraw/zinc/85/15/74/569851574.db2.gz KMDUORYILZHPCS-PDDLMNHVSA-N 1 1 486.656 6.287 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041328 569851589 /nfs/dbraw/zinc/85/15/89/569851589.db2.gz WTEHJWYQSSVQEZ-JTSJOTPCSA-N 1 1 484.659 6.825 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041305 569851601 /nfs/dbraw/zinc/85/16/01/569851601.db2.gz OCPPNMIEVSNRMK-QCDSWUKFSA-N 1 1 487.663 6.163 50 0 JKAAMO COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2OC)[C@@H](CN(CC(C)C)C(=O)c2ccccc2)C1 ZINC000105042139 569851626 /nfs/dbraw/zinc/85/16/26/569851626.db2.gz PCVMLOOBHWLPSI-IXCJQBJRSA-N 1 1 486.656 5.718 50 0 JKAAMO Cn1cccc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000105042249 569851640 /nfs/dbraw/zinc/85/16/40/569851640.db2.gz UURHBBYSXCPWNR-LITSAYRRSA-N 1 1 455.646 5.716 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)o1 ZINC000105041693 569851695 /nfs/dbraw/zinc/85/16/95/569851695.db2.gz YPOFKLQJXBUPHX-QCDSWUKFSA-N 1 1 488.647 6.726 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105041475 569851717 /nfs/dbraw/zinc/85/17/17/569851717.db2.gz SMIPPUNZRRSAJX-QFQXNSOFSA-N 1 1 450.529 5.387 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105042479 569851861 /nfs/dbraw/zinc/85/18/61/569851861.db2.gz QFSXUIVQGITYFC-KCWPFWIISA-N 1 1 464.581 5.441 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042754 569851910 /nfs/dbraw/zinc/85/19/10/569851910.db2.gz SGQBSSUHBVSQKM-GGXMVOPNSA-N 1 1 460.593 5.407 50 0 JKAAMO COc1ccc(C[N@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000105042927 569851921 /nfs/dbraw/zinc/85/19/21/569851921.db2.gz ICLOPCRSKOTYNV-WNJJXGMVSA-N 1 1 460.593 5.407 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050612 569852512 /nfs/dbraw/zinc/85/25/12/569852512.db2.gz OQZHOFIAJOWLSA-BVAGGSTKSA-N 1 1 457.058 5.705 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105050757 569852555 /nfs/dbraw/zinc/85/25/55/569852555.db2.gz ZIYWPDNBALTJNA-RPLLCQBOSA-N 1 1 452.639 5.121 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000108521398 569859529 /nfs/dbraw/zinc/85/95/29/569859529.db2.gz BRYMWRQCRUSLGF-NCYKPQTJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000108521398 569859530 /nfs/dbraw/zinc/85/95/30/569859530.db2.gz BRYMWRQCRUSLGF-NCYKPQTJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000169677837 569868868 /nfs/dbraw/zinc/86/88/68/569868868.db2.gz HZOWYFLPMBRRRR-NZQKXSOJSA-N 1 1 469.601 5.499 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169677845 569868991 /nfs/dbraw/zinc/86/89/91/569868991.db2.gz DHSMAQLGFKJTPZ-ZJSXRUAMSA-N 1 1 481.637 5.368 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679085 569869491 /nfs/dbraw/zinc/86/94/91/569869491.db2.gz PDZJRYUJRMHQMZ-RCZVLFRGSA-N 1 1 479.665 6.058 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169679084 569869517 /nfs/dbraw/zinc/86/95/17/569869517.db2.gz WXIPNPZQGLYDIU-GBXCKJPGSA-N 1 1 469.601 5.499 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000169679551 569869818 /nfs/dbraw/zinc/86/98/18/569869818.db2.gz HYMXTUIGQHQFCD-XUZZJYLKSA-N 1 1 451.611 5.279 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000169679581 569869838 /nfs/dbraw/zinc/86/98/38/569869838.db2.gz CIPQFWXPVBYLNG-NFBKMPQASA-N 1 1 483.628 5.889 50 0 JKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169679599 569869842 /nfs/dbraw/zinc/86/98/42/569869842.db2.gz DVHMFWPEHCPBRK-IRLDBZIGSA-N 1 1 489.399 5.159 50 0 JKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1 ZINC000169679799 569869934 /nfs/dbraw/zinc/86/99/34/569869934.db2.gz FARGFZFAMCIMCX-AZGAKELHSA-N 1 1 450.623 5.768 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000169679961 569870037 /nfs/dbraw/zinc/87/00/37/569870037.db2.gz TWIKVPKHKQVTAE-NSJVFKKDSA-N 1 1 498.686 7.133 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169680013 569870063 /nfs/dbraw/zinc/87/00/63/569870063.db2.gz ZQRJAOLFBFJXNK-JTHBVZDNSA-N 1 1 451.611 5.186 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679933 569870119 /nfs/dbraw/zinc/87/01/19/569870119.db2.gz ICPDNOKXHIAZRS-AOYPEHQESA-N 1 1 454.630 5.499 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000169680372 569870538 /nfs/dbraw/zinc/87/05/38/569870538.db2.gz LFNPGAZHABVBTM-GBXCKJPGSA-N 1 1 483.628 5.889 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000169681944 569870929 /nfs/dbraw/zinc/87/09/29/569870929.db2.gz NSVUJGQHXJDCSG-LADGPHEKSA-N 1 1 465.638 5.513 50 0 JKAAMO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681935 569870994 /nfs/dbraw/zinc/87/09/94/569870994.db2.gz XRYZNNMREQSSSX-RSXGOPAZSA-N 1 1 497.536 5.024 50 0 JKAAMO COc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000226761252 570038294 /nfs/dbraw/zinc/03/82/94/570038294.db2.gz SAWVUKDENDAEIS-RUZDIDTESA-N 1 1 479.418 5.594 50 0 JKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229709313 570041148 /nfs/dbraw/zinc/04/11/48/570041148.db2.gz BSFZEHVOBUVXQL-CHWSQXEVSA-N 1 1 486.325 5.262 50 0 JKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229709313 570041149 /nfs/dbraw/zinc/04/11/49/570041149.db2.gz BSFZEHVOBUVXQL-CHWSQXEVSA-N 1 1 486.325 5.262 50 0 JKAAMO S=c1n(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999388 570043358 /nfs/dbraw/zinc/04/33/58/570043358.db2.gz SZCSMJCCQBHWHP-RBBKRZOGSA-N 1 1 462.619 5.470 50 0 JKAAMO S=c1n(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999388 570043359 /nfs/dbraw/zinc/04/33/59/570043359.db2.gz SZCSMJCCQBHWHP-RBBKRZOGSA-N 1 1 462.619 5.470 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077549 570044582 /nfs/dbraw/zinc/04/45/82/570044582.db2.gz VVZIVQNXIXNZMG-BQQUOAEZSA-N 1 1 479.690 5.352 50 0 JKAAMO C[NH+](C)[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1ccc(F)cc1F ZINC000238901295 570047692 /nfs/dbraw/zinc/04/76/92/570047692.db2.gz LENSORWZQRMCAE-QFIPXVFZSA-N 1 1 471.511 5.945 50 0 JKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000239173860 570049170 /nfs/dbraw/zinc/04/91/70/570049170.db2.gz OVNOSJCTSBMTDI-KKVCJECGSA-N 1 1 497.466 6.268 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[NH2+][C@H](c3cc(OC)ccc3OC)[C@H](C)[C@@](O)(c3ccc(F)cc3)[C@H]2C)c1 ZINC000239425864 570051939 /nfs/dbraw/zinc/05/19/39/570051939.db2.gz VJYRHMWHMJCQEM-FHUHQAPVSA-N 1 1 495.591 5.406 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N@@H+](C)Cc3cccnc3)cc2)CC1 ZINC000239807543 570052694 /nfs/dbraw/zinc/05/26/94/570052694.db2.gz CSVXGGGVLNWVAD-HNKWHGCMSA-N 1 1 462.037 6.165 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245228498 570055585 /nfs/dbraw/zinc/05/55/85/570055585.db2.gz BHYDECZKMVPXTJ-KPURRNSFSA-N 1 1 494.680 5.066 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245236602 570057070 /nfs/dbraw/zinc/05/70/70/570057070.db2.gz USBLMRWLZXNQLB-MUAVYFROSA-N 1 1 496.696 5.333 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245261328 570060914 /nfs/dbraw/zinc/06/09/14/570060914.db2.gz PNERHSRMPPSCPA-IOKPGSKQSA-N 1 1 484.710 5.019 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000245266090 570060968 /nfs/dbraw/zinc/06/09/68/570060968.db2.gz IKEPIUNMNPFVMF-RCZVLFRGSA-N 1 1 469.610 5.485 50 0 JKAAMO Cc1cccc(C[N@@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@H]2CCCO2)c1 ZINC000245279438 570061340 /nfs/dbraw/zinc/06/13/40/570061340.db2.gz FKVFSQUXNBZVRO-SHQCIBLASA-N 1 1 480.555 5.341 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000245280825 570062084 /nfs/dbraw/zinc/06/20/84/570062084.db2.gz ULBWXBRLULCQQJ-JWQCQUIFSA-N 1 1 493.648 5.514 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000245280825 570062085 /nfs/dbraw/zinc/06/20/85/570062085.db2.gz ULBWXBRLULCQQJ-JWQCQUIFSA-N 1 1 493.648 5.514 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cc(C)c(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245280907 570062143 /nfs/dbraw/zinc/06/21/43/570062143.db2.gz VTRYEKFMEUKFQE-RBJSKKJNSA-N 1 1 464.581 5.308 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000245281491 570062353 /nfs/dbraw/zinc/06/23/53/570062353.db2.gz ZXHBWQFGCAYJDI-DNQXCXABSA-N 1 1 479.621 5.124 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000245281491 570062354 /nfs/dbraw/zinc/06/23/54/570062354.db2.gz ZXHBWQFGCAYJDI-DNQXCXABSA-N 1 1 479.621 5.124 50 0 JKAAMO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN([C@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295439 570062592 /nfs/dbraw/zinc/06/25/92/570062592.db2.gz FDLGLXYCHXTXKQ-ITGKQZKFSA-N 1 1 494.720 5.432 50 0 JKAAMO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN([C@@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295443 570062615 /nfs/dbraw/zinc/06/26/15/570062615.db2.gz FDLGLXYCHXTXKQ-VTMRUAGOSA-N 1 1 494.720 5.432 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245326508 570064610 /nfs/dbraw/zinc/06/46/10/570064610.db2.gz FNPXVOPFENBXQK-DHLKQENFSA-N 1 1 478.574 6.201 50 0 JKAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245330404 570066779 /nfs/dbraw/zinc/06/67/79/570066779.db2.gz YFBGMVCZRADOID-JIPXPUAJSA-N 1 1 499.696 5.112 50 0 JKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247932522 570071400 /nfs/dbraw/zinc/07/14/00/570071400.db2.gz KHAGTXLJKXIGAT-NVQXNPDNSA-N 1 1 452.595 5.160 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000247990078 570072274 /nfs/dbraw/zinc/07/22/74/570072274.db2.gz AKHMKFTYVDWUGN-DNQXCXABSA-N 1 1 498.067 6.159 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000247990078 570072275 /nfs/dbraw/zinc/07/22/75/570072275.db2.gz AKHMKFTYVDWUGN-DNQXCXABSA-N 1 1 498.067 6.159 50 0 JKAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000248012887 570072607 /nfs/dbraw/zinc/07/26/07/570072607.db2.gz JNOZFAKXYZWQKI-AOYPEHQESA-N 1 1 495.019 5.092 50 0 JKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3ccccc3C)C2)oc1C ZINC000248036183 570073134 /nfs/dbraw/zinc/07/31/34/570073134.db2.gz YZTWRCXSUHPZBH-RBJSKKJNSA-N 1 1 462.609 6.110 50 0 JKAAMO CCCCCCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248068185 570073384 /nfs/dbraw/zinc/07/33/84/570073384.db2.gz GJSCURGNMIPHTM-NEKDWFFYSA-N 1 1 495.733 5.424 50 0 JKAAMO Cc1ccc(C(=O)N(C[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087454 570073764 /nfs/dbraw/zinc/07/37/64/570073764.db2.gz FNFNNGURZGQJNT-OZXSUGGESA-N 1 1 484.562 6.373 50 0 JKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2c2ccccc2)cc1 ZINC000248267133 570077272 /nfs/dbraw/zinc/07/72/72/570077272.db2.gz YDYMUUXDTQCDMN-IHLOFXLRSA-N 1 1 454.658 6.317 50 0 JKAAMO Cc1cc(OCC(=O)Nc2cccnc2SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000253399774 570096406 /nfs/dbraw/zinc/09/64/06/570096406.db2.gz DGNGPPXVSBSODG-PGRDOPGGSA-N 1 1 460.043 5.418 50 0 biogenic JKAAMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253410178 570097570 /nfs/dbraw/zinc/09/75/70/570097570.db2.gz MXNKWVJDTAMPEL-JYFHCDHNSA-N 1 1 488.628 5.124 50 0 biogenic JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000253487986 570099973 /nfs/dbraw/zinc/09/99/73/570099973.db2.gz UZYZRISMGTUDCJ-KBKGMNQPSA-N 1 1 457.699 5.878 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447755 194122861 /nfs/dbraw/zinc/12/28/61/194122861.db2.gz ZWUKKOGKSQUUMF-UHFFFAOYSA-N 1 1 464.525 5.827 50 0 JKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1OC ZINC000001447580 194122889 /nfs/dbraw/zinc/12/28/89/194122889.db2.gz LTHLMPMTOABNNO-UHFFFAOYSA-N 1 1 464.569 6.068 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)c1 ZINC000002714393 194164739 /nfs/dbraw/zinc/16/47/39/194164739.db2.gz KUXUNMWCOMSZEN-UHFFFAOYSA-N 1 1 475.596 5.731 50 0 JKAAMO COc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000002714264 194164842 /nfs/dbraw/zinc/16/48/42/194164842.db2.gz PREVHRFQQAROOY-UHFFFAOYSA-N 1 1 475.596 5.731 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040010 194215043 /nfs/dbraw/zinc/21/50/43/194215043.db2.gz HWUHGTWFVXBKII-UHFFFAOYSA-N 1 1 487.644 6.556 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)C1CCCCC1 ZINC000003040006 194215064 /nfs/dbraw/zinc/21/50/64/194215064.db2.gz RUBDDFHBQAQWEY-UHFFFAOYSA-N 1 1 468.066 6.424 50 0 JKAAMO COc1ccccc1Nc1cc(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)c2ccccc2n1 ZINC000003053834 194219907 /nfs/dbraw/zinc/21/99/07/194219907.db2.gz CATVVIYZXFOFBC-UHFFFAOYSA-N 1 1 468.601 5.627 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056336 194221099 /nfs/dbraw/zinc/22/10/99/194221099.db2.gz HJHHRLIJLGIZMN-QFIPXVFZSA-N 1 1 489.616 5.351 50 0 JKAAMO COc1ccc(C[C@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@@H+]2C)cc1OC ZINC000003124394 194228929 /nfs/dbraw/zinc/22/89/29/194228929.db2.gz KOPLJIMOJIHJFE-QFIPXVFZSA-N 1 1 463.574 5.072 50 0 JKAAMO CCCC[N@@H+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003138246 194230860 /nfs/dbraw/zinc/23/08/60/194230860.db2.gz FEUSIKWECNSVOC-MRXNPFEDSA-N 1 1 468.233 5.412 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003175689 194234671 /nfs/dbraw/zinc/23/46/71/194234671.db2.gz BKJKUXDFLNNHRO-IGKIAQTJSA-N 1 1 483.015 5.949 50 0 JKAAMO O=C(C[NH+]1CCCCC1)N(Cc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003213786 194240096 /nfs/dbraw/zinc/24/00/96/194240096.db2.gz GWFJZVRCUGYDDW-UHFFFAOYSA-N 1 1 467.638 6.496 50 0 JKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000003217078 194241249 /nfs/dbraw/zinc/24/12/49/194241249.db2.gz CCVGPSSIPPYTFZ-LSYYVWMOSA-N 1 1 478.596 5.304 50 0 JKAAMO Cc1cc(C)cc(Nc2cc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)c1 ZINC000003585452 194339196 /nfs/dbraw/zinc/33/91/96/194339196.db2.gz DTRXUCATVGQUPC-UHFFFAOYSA-N 1 1 480.656 6.626 50 0 JKAAMO COc1ccc(Nc2cc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)c(OC)c1 ZINC000003585694 194339226 /nfs/dbraw/zinc/33/92/26/194339226.db2.gz ZWIZPDNRQQKOEN-UHFFFAOYSA-N 1 1 498.627 5.636 50 0 JKAAMO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000003665684 194356531 /nfs/dbraw/zinc/35/65/31/194356531.db2.gz QYSXPJBZPDXXLF-KRWDZBQOSA-N 1 1 450.048 5.571 50 0 JKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)CC1 ZINC000008583032 194455355 /nfs/dbraw/zinc/45/53/55/194455355.db2.gz SSKWGAWXTGVSBN-UHFFFAOYSA-N 1 1 474.992 5.829 50 0 JKAAMO COc1ccccc1[C@@H]1c2sc3c(c2CC[N@H+]1CC(=O)NCCC1=CCCCC1)CCCC3 ZINC000009115994 194535917 /nfs/dbraw/zinc/53/59/17/194535917.db2.gz MVKRVSKZYHFHSJ-HHHXNRCGSA-N 1 1 464.675 5.590 50 0 JKAAMO COc1ccccc1[C@@H]1c2sc3c(c2CC[N@@H+]1CC(=O)NCCC1=CCCCC1)CCCC3 ZINC000009115994 194535920 /nfs/dbraw/zinc/53/59/20/194535920.db2.gz MVKRVSKZYHFHSJ-HHHXNRCGSA-N 1 1 464.675 5.590 50 0 JKAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933891 195025984 /nfs/dbraw/zinc/02/59/84/195025984.db2.gz PNKSXFWTVRTQRO-MUUNZHRXSA-N 1 1 492.660 5.631 50 0 JKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000012647852 195074457 /nfs/dbraw/zinc/07/44/57/195074457.db2.gz LQJFJQIRVLTWIV-MRXNPFEDSA-N 1 1 458.653 5.278 50 0 JKAAMO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000012748863 195104030 /nfs/dbraw/zinc/10/40/30/195104030.db2.gz BJTDWZWGNMCPGP-OAHLLOKOSA-N 1 1 485.078 5.682 50 0 JKAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000012791020 195131856 /nfs/dbraw/zinc/13/18/56/195131856.db2.gz OHBYXTXBDBBAAY-XMMPIXPASA-N 1 1 454.014 5.053 50 0 JKAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012797634 195136960 /nfs/dbraw/zinc/13/69/60/195136960.db2.gz WXGZKTHNODSXIH-XMMPIXPASA-N 1 1 451.014 5.077 50 0 JKAAMO CCOc1cc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3C)CC2)ccc1OCc1ccccc1 ZINC000012844764 195151714 /nfs/dbraw/zinc/15/17/14/195151714.db2.gz QMGQSTLZTJTJNQ-JQIJEIRASA-N 1 1 470.613 5.330 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@@H+](CC(C)C)C1CC1 ZINC000012898438 195176296 /nfs/dbraw/zinc/17/62/96/195176296.db2.gz NNOMRIRMCRPKQL-UHFFFAOYSA-N 1 1 485.650 5.161 50 0 JKAAMO Cc1cccc(-n2ncc3c2ncnc3N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000020646443 195195186 /nfs/dbraw/zinc/19/51/86/195195186.db2.gz IWBISZUUUPIDJS-MHZLTWQESA-N 1 1 495.030 5.689 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)C1 ZINC000020723529 195206657 /nfs/dbraw/zinc/20/66/57/195206657.db2.gz FMSDSOJJYHVESQ-QGZVFWFLSA-N 1 1 455.574 5.516 50 0 JKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734995 195212047 /nfs/dbraw/zinc/21/20/47/195212047.db2.gz DZTNUMVOTJXUCP-PXLXIMEGSA-N 1 1 458.027 5.277 50 0 JKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735019 195212136 /nfs/dbraw/zinc/21/21/36/195212136.db2.gz NGVBTBQIDMMGNZ-QIWJOQEQSA-N 1 1 470.038 5.277 50 0 JKAAMO CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020827789 195229761 /nfs/dbraw/zinc/22/97/61/195229761.db2.gz AOIXFGCKIKMZNR-UHFFFAOYSA-N 1 1 489.710 6.203 50 0 JKAAMO CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020827789 195229764 /nfs/dbraw/zinc/22/97/64/195229764.db2.gz AOIXFGCKIKMZNR-UHFFFAOYSA-N 1 1 489.710 6.203 50 0 JKAAMO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000020737440 195213607 /nfs/dbraw/zinc/21/36/07/195213607.db2.gz YEWYXWMDBOWRKU-YLQJXORZSA-N 1 1 477.674 5.487 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 ZINC000020779655 195224347 /nfs/dbraw/zinc/22/43/47/195224347.db2.gz NGZLIKIHYSGMDB-UHFFFAOYSA-N 1 1 495.695 6.142 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 ZINC000020779655 195224349 /nfs/dbraw/zinc/22/43/49/195224349.db2.gz NGZLIKIHYSGMDB-UHFFFAOYSA-N 1 1 495.695 6.142 50 0 JKAAMO COc1ccc2c(c1)c(C(=O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c(C)n2C ZINC000020791347 195225309 /nfs/dbraw/zinc/22/53/09/195225309.db2.gz GISKHJVXBIWJOA-UHFFFAOYSA-N 1 1 467.613 5.085 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000020904415 195244622 /nfs/dbraw/zinc/24/46/22/195244622.db2.gz SYNPLCDQLKANTH-DQEYMECFSA-N 1 1 467.679 5.066 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1cccs1 ZINC000020864633 195234255 /nfs/dbraw/zinc/23/42/55/195234255.db2.gz CGJDPLAORQCNBU-LJQANCHMSA-N 1 1 494.686 5.062 50 0 JKAAMO CCOc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868339 195235057 /nfs/dbraw/zinc/23/50/57/195235057.db2.gz YOXRGBIAAPIYCD-SVBPBHIXSA-N 1 1 451.994 5.091 50 0 JKAAMO CCOc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868349 195235157 /nfs/dbraw/zinc/23/51/57/195235157.db2.gz ZKWLYVDXZMDWBZ-IAPPQJPRSA-N 1 1 482.020 5.099 50 0 JKAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999848 195265269 /nfs/dbraw/zinc/26/52/69/195265269.db2.gz JIKNNSLLYDACMS-AREMUKBSSA-N 1 1 473.665 5.087 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(Br)c1)[C@@H]2c1ccccc1 ZINC000021045658 195271582 /nfs/dbraw/zinc/27/15/82/195271582.db2.gz HLVYWIDMMDXAQJ-HSZRJFAPSA-N 1 1 469.448 5.968 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(Br)c1)[C@@H]2c1ccccc1 ZINC000021045658 195271584 /nfs/dbraw/zinc/27/15/84/195271584.db2.gz HLVYWIDMMDXAQJ-HSZRJFAPSA-N 1 1 469.448 5.968 50 0 JKAAMO COc1ccc(-c2csc3ncnc(NCCC[N@H+]4CCN(c5cccc(C)c5)[C@@H](C)C4)c23)cc1 ZINC000021049162 195272223 /nfs/dbraw/zinc/27/22/23/195272223.db2.gz OUIPRFGHLBINJG-NRFANRHFSA-N 1 1 487.673 5.688 50 0 JKAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000021152205 195283310 /nfs/dbraw/zinc/28/33/10/195283310.db2.gz IILGQAMXZRMVPI-UHFFFAOYSA-N 1 1 463.541 5.098 50 0 JKAAMO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+]2CCCC[C@@H]2C)C3=O)s1 ZINC000021526059 195304857 /nfs/dbraw/zinc/30/48/57/195304857.db2.gz YXSDNEDKHWKLFG-MMTVBGGISA-N 1 1 498.737 5.193 50 0 JKAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)nc(C)[nH+]2)cc1 ZINC000021795346 195322092 /nfs/dbraw/zinc/32/20/92/195322092.db2.gz WBBIOMCMJNKICS-UHFFFAOYSA-N 1 1 470.499 5.210 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000021796598 195322501 /nfs/dbraw/zinc/32/25/01/195322501.db2.gz WSQYBCYIBSTKCJ-UHFFFAOYSA-N 1 1 493.567 5.042 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000021796723 195322682 /nfs/dbraw/zinc/32/26/82/195322682.db2.gz JZYLBWMKCXHLKQ-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO COc1ccccc1C(=O)Nc1ccc2[nH]c(C)c([C@@H](Nc3cc(C)cc[nH+]3)c3ccccn3)c2c1 ZINC000021805880 195323745 /nfs/dbraw/zinc/32/37/45/195323745.db2.gz PEIMEXMJUMWFJG-NDEPHWFRSA-N 1 1 477.568 6.037 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915146 195331754 /nfs/dbraw/zinc/33/17/54/195331754.db2.gz PRIBYGSQJCLQRO-UHFFFAOYSA-N 1 1 484.644 5.165 50 0 JKAAMO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCCc2ccccc21 ZINC000021916181 195332319 /nfs/dbraw/zinc/33/23/19/195332319.db2.gz OFWZHQSKGCONDI-UHFFFAOYSA-N 1 1 468.601 5.019 50 0 JKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916096 195332343 /nfs/dbraw/zinc/33/23/43/195332343.db2.gz BONGVRGZCMDRFH-UHFFFAOYSA-N 1 1 482.628 5.240 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916050 195332359 /nfs/dbraw/zinc/33/23/59/195332359.db2.gz PIOLVHCWQGJORN-RUZDIDTESA-N 1 1 462.638 5.446 50 0 JKAAMO O=C(NCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934671 195336012 /nfs/dbraw/zinc/33/60/12/195336012.db2.gz ACIXNUVWPHXOGD-JOCHJYFZSA-N 1 1 486.641 5.159 50 0 JKAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C2)cc1 ZINC000021934850 195336151 /nfs/dbraw/zinc/33/61/51/195336151.db2.gz NMIFKSKAGQEEOI-HSZRJFAPSA-N 1 1 450.586 5.166 50 0 JKAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058217489 195373993 /nfs/dbraw/zinc/37/39/93/195373993.db2.gz ZNVUTVRNULXHGN-AWEZNQCLSA-N 1 1 470.455 5.141 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)cc1 ZINC000058224264 195374388 /nfs/dbraw/zinc/37/43/88/195374388.db2.gz ILIWEGQJDPPFII-QGZVFWFLSA-N 1 1 473.499 5.098 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)cc1 ZINC000058224264 195374391 /nfs/dbraw/zinc/37/43/91/195374391.db2.gz ILIWEGQJDPPFII-QGZVFWFLSA-N 1 1 473.499 5.098 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(OC)cc2)CC1 ZINC000096275419 130011349 /nfs/dbraw/zinc/01/13/49/130011349.db2.gz GPECMUQOJTXZDF-GDLZYMKVSA-N 1 1 495.667 5.693 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000096276298 130013681 /nfs/dbraw/zinc/01/36/81/130013681.db2.gz IXEUPBXOZQXREZ-MUUNZHRXSA-N 1 1 465.641 5.684 50 0 JKAAMO CCC(=O)Nc1ccc2c(cc(C(=O)N3CC[NH+](CC)CC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096277492 130017526 /nfs/dbraw/zinc/01/75/26/130017526.db2.gz MARRMUAKAUCCER-UHFFFAOYSA-N 1 1 474.649 5.113 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C(C)C)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277486 130017612 /nfs/dbraw/zinc/01/76/12/130017612.db2.gz SDCBGWJDKRMBFX-UHFFFAOYSA-N 1 1 488.676 5.359 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)C(C)(C)C)CC1 ZINC000096278300 130019890 /nfs/dbraw/zinc/01/98/90/130019890.db2.gz WNJJCMLSDZSKAM-SANMLTNESA-N 1 1 461.650 5.382 50 0 JKAAMO Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@@H+](Cc4ccsc4)CC3)nc2c1 ZINC000096281476 130027419 /nfs/dbraw/zinc/02/74/19/130027419.db2.gz STEKPMYQAFISET-UHFFFAOYSA-N 1 1 481.050 5.433 50 0 JKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)CC(C)C)CC4)n3c2)c1 ZINC000096288288 130031883 /nfs/dbraw/zinc/03/18/83/130031883.db2.gz RIBFILMPUSANAI-UHFFFAOYSA-N 1 1 466.629 5.667 50 0 JKAAMO CC(=O)N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000096288503 130032654 /nfs/dbraw/zinc/03/26/54/130032654.db2.gz YUOWEQVSSSZGMR-UHFFFAOYSA-N 1 1 458.993 5.294 50 0 JKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCC5)CC4)n3c2)c1 ZINC000096289762 130037005 /nfs/dbraw/zinc/03/70/05/130037005.db2.gz PBLGVRPIIGIWRQ-UHFFFAOYSA-N 1 1 494.639 5.511 50 0 JKAAMO C(=C/c1ccccc1)\C[C@@H](/C=C/c1ccccc1)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000044831321 518372720 /nfs/dbraw/zinc/37/27/20/518372720.db2.gz FFKBIJDNNHKVGD-CBJMUCKKSA-N 1 1 484.687 7.579 50 0 in-vitro JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727083 518593285 /nfs/dbraw/zinc/59/32/85/518593285.db2.gz FVNNIZBJYDGJKY-WOZUAGRISA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727083 518593296 /nfs/dbraw/zinc/59/32/96/518593296.db2.gz FVNNIZBJYDGJKY-WOZUAGRISA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)CC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022651562 518615728 /nfs/dbraw/zinc/61/57/28/518615728.db2.gz SHABNGAGIDGLAX-UHFFFAOYSA-N 1 1 477.476 6.070 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146386 518879691 /nfs/dbraw/zinc/87/96/91/518879691.db2.gz QSKXJZAHXPBEIM-UXHICEINSA-N 1 1 499.866 5.818 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146046 518880201 /nfs/dbraw/zinc/88/02/01/518880201.db2.gz PAGVNWUHZGQOLH-PMACEKPBSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)CC[N@@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036206226 519652786 /nfs/dbraw/zinc/65/27/86/519652786.db2.gz SPDXYMRCSCRTMO-HXUWFJFHSA-N 1 1 492.085 5.187 50 0 JKAAMO CC(C)CC[N@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036206226 519652787 /nfs/dbraw/zinc/65/27/87/519652787.db2.gz SPDXYMRCSCRTMO-HXUWFJFHSA-N 1 1 492.085 5.187 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307564 519653266 /nfs/dbraw/zinc/65/32/66/519653266.db2.gz PTEGRSZNICCTQZ-VWLOTQADSA-N 1 1 473.592 5.833 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000023153852 519690685 /nfs/dbraw/zinc/69/06/85/519690685.db2.gz KQKRBTPTNHJYOK-UHFFFAOYSA-N 1 1 469.582 6.322 50 0 JKAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106397 519708037 /nfs/dbraw/zinc/70/80/37/519708037.db2.gz BGOLXVFKNWVOOP-FQEVSTJZSA-N 1 1 458.606 5.163 50 0 JKAAMO CC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000033106360 519708058 /nfs/dbraw/zinc/70/80/58/519708058.db2.gz FYXJIXVAZBOKOB-UHFFFAOYSA-N 1 1 478.596 5.127 50 0 JKAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106396 519708102 /nfs/dbraw/zinc/70/81/02/519708102.db2.gz BGOLXVFKNWVOOP-HXUWFJFHSA-N 1 1 458.606 5.163 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036306639 519717688 /nfs/dbraw/zinc/71/76/88/519717688.db2.gz UOSYJSWEXGGFEL-RUZDIDTESA-N 1 1 487.619 6.080 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307373 519717857 /nfs/dbraw/zinc/71/78/57/519717857.db2.gz KZKWVNBHGDDOKI-AREMUKBSSA-N 1 1 487.619 6.080 50 0 JKAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036249345 519717976 /nfs/dbraw/zinc/71/79/76/519717976.db2.gz WJIJRXZGHNCYLT-UHFFFAOYSA-N 1 1 485.003 5.184 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036167895 519718103 /nfs/dbraw/zinc/71/81/03/519718103.db2.gz ICLKHCXQJYCJLF-UHFFFAOYSA-N 1 1 479.542 6.639 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307783 519755629 /nfs/dbraw/zinc/75/56/29/519755629.db2.gz YRQIMALHHZBBAS-DEOSSOPVSA-N 1 1 481.612 5.264 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036307993 519755640 /nfs/dbraw/zinc/75/56/40/519755640.db2.gz LFEYMYPNLKFBSB-VWLOTQADSA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036307993 519755642 /nfs/dbraw/zinc/75/56/42/519755642.db2.gz LFEYMYPNLKFBSB-VWLOTQADSA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036307379 519756036 /nfs/dbraw/zinc/75/60/36/519756036.db2.gz IBWSLOAYTNGLTJ-DEOSSOPVSA-N 1 1 483.628 5.510 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146372 519757536 /nfs/dbraw/zinc/75/75/36/519757536.db2.gz CURVSYVAOPJFFZ-RTWAWAEBSA-N 1 1 483.411 5.161 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307881 519771570 /nfs/dbraw/zinc/77/15/70/519771570.db2.gz AMEYOLYSZUQAGJ-QHCPKHFHSA-N 1 1 481.612 5.677 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307881 519771572 /nfs/dbraw/zinc/77/15/72/519771572.db2.gz AMEYOLYSZUQAGJ-QHCPKHFHSA-N 1 1 481.612 5.677 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306737 519771758 /nfs/dbraw/zinc/77/17/58/519771758.db2.gz OGVHEHOOLMGTNO-QFIPXVFZSA-N 1 1 493.579 5.400 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306737 519771759 /nfs/dbraw/zinc/77/17/59/519771759.db2.gz OGVHEHOOLMGTNO-QFIPXVFZSA-N 1 1 493.579 5.400 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307762 519771793 /nfs/dbraw/zinc/77/17/93/519771793.db2.gz RXCBWIUELHZMHR-QHCPKHFHSA-N 1 1 467.585 5.016 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307760 519773685 /nfs/dbraw/zinc/77/36/85/519773685.db2.gz RXCBWIUELHZMHR-HSZRJFAPSA-N 1 1 467.585 5.016 50 0 JKAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307042 519773813 /nfs/dbraw/zinc/77/38/13/519773813.db2.gz AVPFPVFSERAOCT-JOCHJYFZSA-N 1 1 455.574 5.015 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305030 519773861 /nfs/dbraw/zinc/77/38/61/519773861.db2.gz XMAYCUHXQNHAFF-JOCHJYFZSA-N 1 1 484.040 5.531 50 0 JKAAMO CC(C)Oc1ccc(C(=O)N2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)cc1 ZINC000014882678 519778596 /nfs/dbraw/zinc/77/85/96/519778596.db2.gz VCWRAVCVBMIYRP-GDLZYMKVSA-N 1 1 471.645 5.464 50 0 JKAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069161 519791300 /nfs/dbraw/zinc/79/13/00/519791300.db2.gz HOQJNQUDEZDMIK-QGZVFWFLSA-N 1 1 477.502 5.809 50 0 JKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069161 519791301 /nfs/dbraw/zinc/79/13/01/519791301.db2.gz HOQJNQUDEZDMIK-QGZVFWFLSA-N 1 1 477.502 5.809 50 0 JKAAMO CC(C)[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305037 519800701 /nfs/dbraw/zinc/80/07/01/519800701.db2.gz BURDVNBHXZFZSC-QHCPKHFHSA-N 1 1 454.014 5.762 50 0 JKAAMO CC(C)c1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033069044 519835912 /nfs/dbraw/zinc/83/59/12/519835912.db2.gz YWDDZNBZYMNUAM-UHFFFAOYSA-N 1 1 497.639 6.888 50 0 JKAAMO CC(C)c1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033069044 519835913 /nfs/dbraw/zinc/83/59/13/519835913.db2.gz YWDDZNBZYMNUAM-UHFFFAOYSA-N 1 1 497.639 6.888 50 0 JKAAMO CCCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347274 519939692 /nfs/dbraw/zinc/93/96/92/519939692.db2.gz LAUHOFMRHUPHIE-UHFFFAOYSA-N 1 1 469.629 5.753 50 0 JKAAMO 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Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147168 525307708 /nfs/dbraw/zinc/30/77/08/525307708.db2.gz BIVOZUYYWCHYRN-DQEYMECFSA-N 1 1 464.993 5.084 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146693 525308564 /nfs/dbraw/zinc/30/85/64/525308564.db2.gz RHACFTACZGPOCZ-DQEYMECFSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146693 525308570 /nfs/dbraw/zinc/30/85/70/525308570.db2.gz RHACFTACZGPOCZ-DQEYMECFSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146614 525313621 /nfs/dbraw/zinc/31/36/21/525313621.db2.gz RIPCMAMKJDPCII-RPBOFIJWSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146614 525313630 /nfs/dbraw/zinc/31/36/30/525313630.db2.gz RIPCMAMKJDPCII-RPBOFIJWSA-N 1 1 482.983 5.223 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002915324 525396036 /nfs/dbraw/zinc/39/60/36/525396036.db2.gz WPRKXLFREZGFBX-BJKOFHAPSA-N 1 1 477.351 5.806 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021659636 525430436 /nfs/dbraw/zinc/43/04/36/525430436.db2.gz MGNXOXCYHCNENU-RUZDIDTESA-N 1 1 453.571 6.090 50 0 JKAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)c2ccccc2)C(C)C)cc1 ZINC000036309531 525433354 /nfs/dbraw/zinc/43/33/54/525433354.db2.gz FTHUOKLLJSABJL-FTJBHMTQSA-N 1 1 478.658 5.005 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c2Sc1ccccc1 ZINC000020466803 525597603 /nfs/dbraw/zinc/59/76/03/525597603.db2.gz GZTRPQZLMIPLCF-KDURUIRLSA-N 1 1 451.636 5.711 50 0 JKAAMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490240 525612173 /nfs/dbraw/zinc/61/21/73/525612173.db2.gz OZFZDPOFMDWGME-UHFFFAOYSA-N 1 1 481.040 5.246 50 0 JKAAMO 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C[C@@H]1c2ccc(Br)cc2C[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044126565 525716128 /nfs/dbraw/zinc/71/61/28/525716128.db2.gz HUWRJTHKCYGECM-OAQYLSRUSA-N 1 1 454.411 7.318 50 0 JKAAMO C[C@@H]1c2ccc(Br)cc2C[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044126565 525716139 /nfs/dbraw/zinc/71/61/39/525716139.db2.gz HUWRJTHKCYGECM-OAQYLSRUSA-N 1 1 454.411 7.318 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)NCCc4ccccc4)ccc3[nH+]2)cc1 ZINC000033292778 525734176 /nfs/dbraw/zinc/73/41/76/525734176.db2.gz BEAANWPSWLVBGF-UHFFFAOYSA-N 1 1 466.585 5.411 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4ccc5c(c4)OCCO5)ccc3[nH+]2)cc1 ZINC000033292797 525735378 /nfs/dbraw/zinc/73/53/78/525735378.db2.gz BRZUVWHBGQJZDP-UHFFFAOYSA-N 1 1 496.567 5.462 50 0 JKAAMO Cc1ccc(-c2cn3c4ccc(C(=O)N5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000020490276 525767511 /nfs/dbraw/zinc/76/75/11/525767511.db2.gz GACXTOSKMBQYQO-UHFFFAOYSA-N 1 1 466.610 5.482 50 0 JKAAMO Cc1ccc(-c2cn3c4ccc(C(=O)N5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)c(C)c1 ZINC000020490415 525768230 /nfs/dbraw/zinc/76/82/30/525768230.db2.gz YZJHJFJVNYXWDR-UHFFFAOYSA-N 1 1 480.637 5.791 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205309 525785157 /nfs/dbraw/zinc/78/51/57/525785157.db2.gz QOTFZJYDPWLAJI-QFIPXVFZSA-N 1 1 461.631 5.082 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205309 525785162 /nfs/dbraw/zinc/78/51/62/525785162.db2.gz QOTFZJYDPWLAJI-QFIPXVFZSA-N 1 1 461.631 5.082 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)c4ccccc4)nc(=O)c23)cc1C ZINC000036205184 525786209 /nfs/dbraw/zinc/78/62/09/525786209.db2.gz VVPDDLFMTJNGPW-QHCPKHFHSA-N 1 1 461.631 5.460 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)c4ccccc4)nc(=O)c23)cc1C ZINC000036205184 525786215 /nfs/dbraw/zinc/78/62/15/525786215.db2.gz VVPDDLFMTJNGPW-QHCPKHFHSA-N 1 1 461.631 5.460 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456343 525820461 /nfs/dbraw/zinc/82/04/61/525820461.db2.gz VSHCKSDLFVFTED-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456343 525820466 /nfs/dbraw/zinc/82/04/66/525820466.db2.gz VSHCKSDLFVFTED-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)c(C)c2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456322 525821501 /nfs/dbraw/zinc/82/15/01/525821501.db2.gz ORDFKHJVQOZTAC-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)c(C)c2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456322 525821505 /nfs/dbraw/zinc/82/15/05/525821505.db2.gz ORDFKHJVQOZTAC-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456286 525821523 /nfs/dbraw/zinc/82/15/23/525821523.db2.gz AOUHWODSMYXAHZ-UHFFFAOYSA-N 1 1 499.014 5.069 50 0 JKAAMO 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Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917899 525988161 /nfs/dbraw/zinc/98/81/61/525988161.db2.gz AEUQFUDGYKFXKT-ZEQRLZLVSA-N 1 1 461.352 6.106 50 0 JKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+]3CCN(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000095476870 526114287 /nfs/dbraw/zinc/11/42/87/526114287.db2.gz HQDXUKUNIBBNLF-UHFFFAOYSA-N 1 1 479.580 5.849 50 0 JKAAMO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000021796432 526116424 /nfs/dbraw/zinc/11/64/24/526116424.db2.gz DWMFVEKJKRMABU-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305427 526240809 /nfs/dbraw/zinc/24/08/09/526240809.db2.gz YPBOVCKVZJOGAY-VWLOTQADSA-N 1 1 485.628 5.702 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305425 526241221 /nfs/dbraw/zinc/24/12/21/526241221.db2.gz YPBOVCKVZJOGAY-RUZDIDTESA-N 1 1 485.628 5.702 50 0 JKAAMO 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O=C([C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000036154400 526515996 /nfs/dbraw/zinc/51/59/96/526515996.db2.gz XUBQTHDXFFIAEC-HKBQPEDESA-N 1 1 476.620 5.591 50 0 JKAAMO O=C([C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000036154400 526516005 /nfs/dbraw/zinc/51/60/05/526516005.db2.gz XUBQTHDXFFIAEC-HKBQPEDESA-N 1 1 476.620 5.591 50 0 JKAAMO O=C(c1ccc(N2CCC([N@H+]3CCCC[C@@H]3c3ccccn3)CC2)cc1)N1CCc2ccccc2C1 ZINC000014978622 526697071 /nfs/dbraw/zinc/69/70/71/526697071.db2.gz IXTPOZCRTUUVRQ-SSEXGKCCSA-N 1 1 480.656 5.476 50 0 JKAAMO O=C(c1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796343 526805656 /nfs/dbraw/zinc/80/56/56/526805656.db2.gz HPPDEOJZSXDRFD-UHFFFAOYSA-N 1 1 477.543 5.189 50 0 JKAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766039 526849249 /nfs/dbraw/zinc/84/92/49/526849249.db2.gz LRMQLQHMEJSZJP-QHCPKHFHSA-N 1 1 478.017 5.894 50 0 JKAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766039 526849253 /nfs/dbraw/zinc/84/92/53/526849253.db2.gz LRMQLQHMEJSZJP-QHCPKHFHSA-N 1 1 478.017 5.894 50 0 JKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccc2c(c1)OCO2 ZINC000021798110 526985182 /nfs/dbraw/zinc/98/51/82/526985182.db2.gz XJKNCTFEQIJJPG-UHFFFAOYSA-N 1 1 454.917 6.082 50 0 JKAAMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000014992622 526993116 /nfs/dbraw/zinc/99/31/16/526993116.db2.gz HXXSDJVOPWVQIG-NAKRPHOHSA-N 1 1 458.577 5.418 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)[nH+]1 ZINC000021794355 527004274 /nfs/dbraw/zinc/00/42/74/527004274.db2.gz LKQDCVVLVZTZPA-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794355 527004280 /nfs/dbraw/zinc/00/42/80/527004280.db2.gz LKQDCVVLVZTZPA-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO Cc1nc2c3ccccc3oc2c(Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)n1 ZINC000020392008 527114732 /nfs/dbraw/zinc/11/47/32/527114732.db2.gz LNQISUDAHUBZRM-UHFFFAOYSA-N 1 1 484.003 6.404 50 0 JKAAMO O=C(Nc1ccc(Cl)cc1)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000033292734 527180555 /nfs/dbraw/zinc/18/05/55/527180555.db2.gz XDUBMMPQYVMDEC-UHFFFAOYSA-N 1 1 458.949 6.036 50 0 JKAAMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373185 527200711 /nfs/dbraw/zinc/20/07/11/527200711.db2.gz MFSBELJDXGFDBJ-FQEVSTJZSA-N 1 1 451.014 5.049 50 0 JKAAMO Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373186 527202935 /nfs/dbraw/zinc/20/29/35/527202935.db2.gz MFSBELJDXGFDBJ-HXUWFJFHSA-N 1 1 451.014 5.049 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccccc2)C1 ZINC000014754726 527203412 /nfs/dbraw/zinc/20/34/12/527203412.db2.gz DUFSICAMJIDPGH-IZZNHLLZSA-N 1 1 495.598 5.372 50 0 JKAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000019741461 527444693 /nfs/dbraw/zinc/44/46/93/527444693.db2.gz RYZBEQGQWYXERM-XMMPIXPASA-N 1 1 473.580 5.427 50 0 JKAAMO OC(c1ccc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036202732 527503388 /nfs/dbraw/zinc/50/33/88/527503388.db2.gz REKFMEDFCYBOAE-RUZDIDTESA-N 1 1 459.611 5.807 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036202732 527503392 /nfs/dbraw/zinc/50/33/92/527503392.db2.gz REKFMEDFCYBOAE-RUZDIDTESA-N 1 1 459.611 5.807 50 0 JKAAMO OC(c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)o1)(c1cccs1)c1cccs1 ZINC000036157321 527503926 /nfs/dbraw/zinc/50/39/26/527503926.db2.gz BFNTZSRICBOPDD-OAQYLSRUSA-N 1 1 465.640 5.868 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1Oc1cccc(F)c1 ZINC000036307124 527536863 /nfs/dbraw/zinc/53/68/63/527536863.db2.gz QGUWODFLHAKMQZ-JOCHJYFZSA-N 1 1 467.585 5.159 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1ccccc1 ZINC000036308307 527538561 /nfs/dbraw/zinc/53/85/61/527538561.db2.gz WMNYBFHKXSIINF-NOZRDPDXSA-N 1 1 493.648 5.036 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307301 527538823 /nfs/dbraw/zinc/53/88/23/527538823.db2.gz QWGZUUXTAWFMCO-SANMLTNESA-N 1 1 485.603 5.834 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036303746 527548588 /nfs/dbraw/zinc/54/85/88/527548588.db2.gz BEXCXUMPBPGPOP-HSZRJFAPSA-N 1 1 470.013 5.377 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036303746 527548594 /nfs/dbraw/zinc/54/85/94/527548594.db2.gz BEXCXUMPBPGPOP-HSZRJFAPSA-N 1 1 470.013 5.377 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036304116 527548616 /nfs/dbraw/zinc/54/86/16/527548616.db2.gz MYUBMWHAOHVOHS-QFIPXVFZSA-N 1 1 487.591 5.638 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036304111 527548860 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/nfs/dbraw/zinc/55/05/40/527550540.db2.gz GNPKZSYYRJLPEQ-XMMPIXPASA-N 1 1 463.622 5.422 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036304755 527550837 /nfs/dbraw/zinc/55/08/37/527550837.db2.gz KCCBAJSOTCMNBK-VWLOTQADSA-N 1 1 465.638 5.525 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036308677 527550990 /nfs/dbraw/zinc/55/09/90/527550990.db2.gz AEJUVXCVKOKZHF-DEOSSOPVSA-N 1 1 463.622 5.361 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146404 527658000 /nfs/dbraw/zinc/65/80/00/527658000.db2.gz YQEALFMQTRROBQ-RPBOFIJWSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146404 527658005 /nfs/dbraw/zinc/65/80/05/527658005.db2.gz YQEALFMQTRROBQ-RPBOFIJWSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145988 527658127 /nfs/dbraw/zinc/65/81/27/527658127.db2.gz DWKHZXSILPDTFP-FTJBHMTQSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146120 527658165 /nfs/dbraw/zinc/65/81/65/527658165.db2.gz ZMBILRAWYDXLTA-FTJBHMTQSA-N 1 1 482.983 5.052 50 0 JKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033264067 527674319 /nfs/dbraw/zinc/67/43/19/527674319.db2.gz AFBVXYAUEVNDGF-MUUNZHRXSA-N 1 1 496.655 5.276 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccccc2F)CC1 ZINC000096275673 535618550 /nfs/dbraw/zinc/61/85/50/535618550.db2.gz FRCJWFNLYGXGKO-MHZLTWQESA-N 1 1 499.630 5.523 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000096287533 535618824 /nfs/dbraw/zinc/61/88/24/535618824.db2.gz BMJXEMXRBKOISY-LJAQVGFWSA-N 1 1 495.667 5.693 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(OC)cc32)c2cccc(OCc3ccccc3)c2)CC1 ZINC000096275428 535619027 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/nfs/dbraw/zinc/10/40/60/554104060.db2.gz IGKNYERIRUINBP-TUMTZTIRSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000002228294 554104065 /nfs/dbraw/zinc/10/40/65/554104065.db2.gz IGKNYERIRUINBP-TUMTZTIRSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002240657 554109723 /nfs/dbraw/zinc/10/97/23/554109723.db2.gz IQBYYSGMAOOFAK-DNQXCXABSA-N 1 1 477.351 5.806 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000002247375 554112186 /nfs/dbraw/zinc/11/21/86/554112186.db2.gz WFPQERYXEWUORV-DNQXCXABSA-N 1 1 477.351 5.806 50 0 JKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002254288 554117517 /nfs/dbraw/zinc/11/75/17/554117517.db2.gz VVGIFPXCYLWRTG-DNQXCXABSA-N 1 1 461.352 6.106 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002256599 554119131 /nfs/dbraw/zinc/11/91/31/554119131.db2.gz IEKVKCRIOBJQTI-DNQXCXABSA-N 1 1 460.896 5.292 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002256665 554119152 /nfs/dbraw/zinc/11/91/52/554119152.db2.gz PJDJOUFJHHJBQN-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO COC(=O)CN1C(c2ccc(OC)cc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002259773 554121270 /nfs/dbraw/zinc/12/12/70/554121270.db2.gz JOJDBRNVGHEWQJ-QHCPKHFHSA-N 1 1 465.347 5.114 50 0 JKAAMO CCOC(=O)CN1C(c2ccc(Cl)cc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002281843 554131414 /nfs/dbraw/zinc/13/14/14/554131414.db2.gz NVTKHMHPJCZVBD-QHCPKHFHSA-N 1 1 483.793 6.149 50 0 JKAAMO O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000002310894 554143429 /nfs/dbraw/zinc/14/34/29/554143429.db2.gz XEPDUUDDAVKNBZ-INIZCTEOSA-N 1 1 489.400 6.041 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002343964 554157584 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QBSIRXQWVQVDCN-UHFFFAOYSA-N 1 1 484.987 6.413 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)c1 ZINC000002714846 554300486 /nfs/dbraw/zinc/30/04/86/554300486.db2.gz NFPXFBAETSXEEF-UHFFFAOYSA-N 1 1 462.519 7.409 50 0 JKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)cc1 ZINC000002714875 554300691 /nfs/dbraw/zinc/30/06/91/554300691.db2.gz YFPOEVKVADGFJT-UHFFFAOYSA-N 1 1 474.486 6.727 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)cc1 ZINC000002715048 554300709 /nfs/dbraw/zinc/30/07/09/554300709.db2.gz XHELQNFSAGUAPK-UHFFFAOYSA-N 1 1 461.407 6.985 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000002714905 554300712 /nfs/dbraw/zinc/30/07/12/554300712.db2.gz WZTLPQZIWVSAFA-UHFFFAOYSA-N 1 1 498.005 6.515 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000002715158 554300734 /nfs/dbraw/zinc/30/07/34/554300734.db2.gz ILXMGQZZFNUGMM-UHFFFAOYSA-N 1 1 479.559 5.562 50 0 JKAAMO COc1ccccc1CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715064 554300760 /nfs/dbraw/zinc/30/07/60/554300760.db2.gz SVHZEPLGIKJTIU-UHFFFAOYSA-N 1 1 485.385 6.471 50 0 JKAAMO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC(C)(C)C1 ZINC000002715030 554300774 /nfs/dbraw/zinc/30/07/74/554300774.db2.gz DXEFNPCYGZGXET-WIYYLYMNSA-N 1 1 489.461 7.477 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1 ZINC000002715254 554301140 /nfs/dbraw/zinc/30/11/40/554301140.db2.gz MKKKUZNTFVASSH-UHFFFAOYSA-N 1 1 454.961 6.752 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002785305 554344111 /nfs/dbraw/zinc/34/41/11/554344111.db2.gz QCVIRPUYBZGICY-FQEVSTJZSA-N 1 1 478.401 5.459 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000003430243 554463790 /nfs/dbraw/zinc/46/37/90/554463790.db2.gz XYOGHGRYZQUEPF-MSOLQXFVSA-N 1 1 470.679 5.806 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000003430243 554463793 /nfs/dbraw/zinc/46/37/93/554463793.db2.gz XYOGHGRYZQUEPF-MSOLQXFVSA-N 1 1 470.679 5.806 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000007059274 554563457 /nfs/dbraw/zinc/56/34/57/554563457.db2.gz LOEIAEPMGGHYQY-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398722 554573774 /nfs/dbraw/zinc/57/37/74/554573774.db2.gz QMYJRGWDZJUCJC-DQCZWYHMSA-N 1 1 452.639 5.032 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008583383 554601277 /nfs/dbraw/zinc/60/12/77/554601277.db2.gz DQMHAAUMURCDSO-SFHVURJKSA-N 1 1 454.039 6.034 50 0 JKAAMO Cc1cc(Oc2coc3cc(OC[C@H](O)C[N@@H+]4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000008763878 554664158 /nfs/dbraw/zinc/66/41/58/554664158.db2.gz BDGUKDLRNQCGNZ-QFBILLFUSA-N 1 1 471.981 5.327 50 0 JKAAMO CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000008793021 554686274 /nfs/dbraw/zinc/68/62/74/554686274.db2.gz ITBKUEUWKWJQIJ-UHFFFAOYSA-N 1 1 464.587 5.736 50 0 JKAAMO CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000008793021 554686276 /nfs/dbraw/zinc/68/62/76/554686276.db2.gz ITBKUEUWKWJQIJ-UHFFFAOYSA-N 1 1 464.587 5.736 50 0 JKAAMO CCC(C)(C)c1ccc(OCCCC(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C(C)(C)CC)c1 ZINC000008817444 554700340 /nfs/dbraw/zinc/70/03/40/554700340.db2.gz VFIRJXUWSVPBAV-BVAGGSTKSA-N 1 1 471.726 7.029 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000008868674 554762385 /nfs/dbraw/zinc/76/23/85/554762385.db2.gz HXNGFYZLCLPCNU-ZEQKJWHPSA-N 1 1 466.585 5.485 50 0 biogenic,in-vitro JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000008868886 554762696 /nfs/dbraw/zinc/76/26/96/554762696.db2.gz OFMRCMZEVATFDR-WMLDXEAASA-N 1 1 480.968 5.167 50 0 JKAAMO 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1 495.733 6.527 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008923123 554820336 /nfs/dbraw/zinc/82/03/36/554820336.db2.gz SHDMBBYBIHAJNF-HSZRJFAPSA-N 1 1 468.022 6.176 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000008923426 554820595 /nfs/dbraw/zinc/82/05/95/554820595.db2.gz UDQJKCOBGVMEHW-DEOSSOPVSA-N 1 1 463.603 5.531 50 0 JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923407 554820608 /nfs/dbraw/zinc/82/06/08/554820608.db2.gz YDGWTARZLIQHLI-OAQYLSRUSA-N 1 1 483.615 5.233 50 0 JKAAMO CCOc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000008923463 554820625 /nfs/dbraw/zinc/82/06/25/554820625.db2.gz RMDFHRZZBWJEMZ-SFHVURJKSA-N 1 1 450.402 5.105 50 0 JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000008923429 554820653 /nfs/dbraw/zinc/82/06/53/554820653.db2.gz UDQJKCOBGVMEHW-XMMPIXPASA-N 1 1 463.603 5.531 50 0 JKAAMO COc1ccc(-c2nnc(Nc3ccc4c(c3)[nH+]c(C)n4Cc3ccccc3)c3ccccc32)cc1 ZINC000008983662 554847973 /nfs/dbraw/zinc/84/79/73/554847973.db2.gz NCGUJXLTQRZYDT-UHFFFAOYSA-N 1 1 471.564 6.755 50 0 JKAAMO COc1ccc(C2(C[N@@H+](C)CC[C@@H](c3ccccc3)c3ccccc3O)CCCC2)cc1OC ZINC000009041712 554869027 /nfs/dbraw/zinc/86/90/27/554869027.db2.gz AWGOZTQYTOGBDK-VWLOTQADSA-N 1 1 459.630 6.375 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000009045784 554870173 /nfs/dbraw/zinc/87/01/73/554870173.db2.gz VIQISXNXRTZIHO-VWLOTQADSA-N 1 1 499.592 5.546 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000009045784 554870176 /nfs/dbraw/zinc/87/01/76/554870176.db2.gz VIQISXNXRTZIHO-VWLOTQADSA-N 1 1 499.592 5.546 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000009115446 554902114 /nfs/dbraw/zinc/90/21/14/554902114.db2.gz HGUOAQCANCGXLC-MGBGTMOVSA-N 1 1 487.065 5.663 50 0 JKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c2ccccc21 ZINC000009116126 554903331 /nfs/dbraw/zinc/90/33/31/554903331.db2.gz GHEHOIXECQNNBG-UHFFFAOYSA-N 1 1 481.684 6.348 50 0 JKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)c(Cl)c3)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009128615 554925753 /nfs/dbraw/zinc/92/57/53/554925753.db2.gz UGHLUHMSMZINFN-DHIUTWEWSA-N 1 1 462.340 5.501 50 0 JKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000009130776 554930837 /nfs/dbraw/zinc/93/08/37/554930837.db2.gz UGHLUHMSMZINFN-PKTZIBPZSA-N 1 1 462.340 5.501 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)cc2)C1 ZINC000009151120 554937156 /nfs/dbraw/zinc/93/71/56/554937156.db2.gz GOGQQOPJRYEAOY-UHFFFAOYSA-N 1 1 459.413 5.001 50 0 JKAAMO CCCC[N@@H+](CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccco1 ZINC000009152954 554941741 /nfs/dbraw/zinc/94/17/41/554941741.db2.gz REDZHOVWKARFQQ-UHFFFAOYSA-N 1 1 469.029 5.555 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158755 554948600 /nfs/dbraw/zinc/94/86/00/554948600.db2.gz PFLHLGZYSZANII-DOUMQJFESA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158755 554948602 /nfs/dbraw/zinc/94/86/02/554948602.db2.gz PFLHLGZYSZANII-DOUMQJFESA-N 1 1 474.601 5.164 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000009211697 554981708 /nfs/dbraw/zinc/98/17/08/554981708.db2.gz ZUJWKBYTILRDTA-UHFFFAOYSA-N 1 1 473.596 5.141 50 0 JKAAMO CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3)CC1 ZINC000009251550 555025464 /nfs/dbraw/zinc/02/54/64/555025464.db2.gz KKZZWXXUVWMFMP-UHFFFAOYSA-N 1 1 472.614 5.168 50 0 JKAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)c2-n1cccc1 ZINC000009251910 555026348 /nfs/dbraw/zinc/02/63/48/555026348.db2.gz KZVCLRWJOSVNJR-UHFFFAOYSA-N 1 1 460.647 5.734 50 0 JKAAMO CC[C@H](C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289417 555063717 /nfs/dbraw/zinc/06/37/17/555063717.db2.gz QFAWCSXGAKQRFM-HSZRJFAPSA-N 1 1 490.673 5.288 50 0 JKAAMO Cc1nn(CCCC(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009289680 555063936 /nfs/dbraw/zinc/06/39/36/555063936.db2.gz RCDZZMKARCIQJI-UHFFFAOYSA-N 1 1 490.673 5.117 50 0 JKAAMO CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000009291917 555066559 /nfs/dbraw/zinc/06/65/59/555066559.db2.gz KCCJSAGLOUWRRA-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292279 555067337 /nfs/dbraw/zinc/06/73/37/555067337.db2.gz ACCAQFZQTRYVJT-WUFINQPMSA-N 1 1 480.568 5.631 50 0 JKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000009314444 555089760 /nfs/dbraw/zinc/08/97/60/555089760.db2.gz JDUXMMKQSBAFIY-MHZLTWQESA-N 1 1 471.601 5.181 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009344399 555109703 /nfs/dbraw/zinc/10/97/03/555109703.db2.gz NJJKQFBRHBCMHH-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345147 555110583 /nfs/dbraw/zinc/11/05/83/555110583.db2.gz RFQWMOLZZXBTES-BJKOFHAPSA-N 1 1 458.974 5.866 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000009346143 555112781 /nfs/dbraw/zinc/11/27/81/555112781.db2.gz BDIZVKCFHCQOAW-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009346348 555113093 /nfs/dbraw/zinc/11/30/93/555113093.db2.gz PMBCFHZWFVFZTG-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1F ZINC000009379762 555141684 /nfs/dbraw/zinc/14/16/84/555141684.db2.gz LJCGBOSBJNWTFJ-UHFFFAOYSA-N 1 1 468.985 5.482 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407784 555169422 /nfs/dbraw/zinc/16/94/22/555169422.db2.gz GKKYDGJWZPAXLZ-HNNXBMFYSA-N 1 1 461.052 6.298 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc21 ZINC000009409338 555174126 /nfs/dbraw/zinc/17/41/26/555174126.db2.gz HDMFUOCBUOUNAW-VWLOTQADSA-N 1 1 456.586 5.322 50 0 JKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009428079 555193622 /nfs/dbraw/zinc/19/36/22/555193622.db2.gz LIPXMPPTCXDNPF-VWLOTQADSA-N 1 1 461.993 5.565 50 0 JKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433781 555204065 /nfs/dbraw/zinc/20/40/65/555204065.db2.gz IEMIIWIKAPIAGY-NRFANRHFSA-N 1 1 487.600 5.013 50 0 JKAAMO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000009464543 555236935 /nfs/dbraw/zinc/23/69/35/555236935.db2.gz IPPUYBSJPYHPSO-UHFFFAOYSA-N 1 1 471.310 5.001 50 0 JKAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009481312 555261128 /nfs/dbraw/zinc/26/11/28/555261128.db2.gz HBBQJNOEXINCMY-MRXNPFEDSA-N 1 1 450.633 5.305 50 0 JKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)ccc2Sc2ccc(C)cc21 ZINC000009490441 555265899 /nfs/dbraw/zinc/26/58/99/555265899.db2.gz CLEVJXOSBJOTEQ-JOCHJYFZSA-N 1 1 463.691 6.765 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+](C)Cc3c(C)nn(-c4ccccc4)c3C)cc2)cc1 ZINC000009494406 555278464 /nfs/dbraw/zinc/27/84/64/555278464.db2.gz UJWUDFUIGGDZGB-UHFFFAOYSA-N 1 1 454.574 5.382 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3c(C)nn(-c4ccccc4)c3C)cc2)cc1 ZINC000009494406 555278466 /nfs/dbraw/zinc/27/84/66/555278466.db2.gz UJWUDFUIGGDZGB-UHFFFAOYSA-N 1 1 454.574 5.382 50 0 JKAAMO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000009531145 555325870 /nfs/dbraw/zinc/32/58/70/555325870.db2.gz LJPOMNYNHYZZON-OAQYLSRUSA-N 1 1 488.035 5.826 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000009531119 555325876 /nfs/dbraw/zinc/32/58/76/555325876.db2.gz IRQMQBQGXMHIOB-QHCPKHFHSA-N 1 1 489.623 6.120 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)c1 ZINC000009531157 555325950 /nfs/dbraw/zinc/32/59/50/555325950.db2.gz YHRPXBHLPUBYKC-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000009531735 555326531 /nfs/dbraw/zinc/32/65/31/555326531.db2.gz BEVVRLGLDYVZPY-XMMPIXPASA-N 1 1 473.624 6.419 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](c3cccs3)c3c[nH]c4ccccc43)c2c1C ZINC000013138635 555335511 /nfs/dbraw/zinc/33/55/11/555335511.db2.gz IGDKOZFKJGACOA-OAQYLSRUSA-N 1 1 487.698 6.691 50 0 JKAAMO Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000013145960 555344037 /nfs/dbraw/zinc/34/40/37/555344037.db2.gz QUQPUDOBPMECJB-UHFFFAOYSA-N 1 1 489.685 5.479 50 0 JKAAMO CCCC[N@@H+](CC(=O)N1CCCc2c3cc(OCCC)ccc3oc(=O)c21)Cc1ccccc1 ZINC000009560317 555356584 /nfs/dbraw/zinc/35/65/84/555356584.db2.gz BNEOEYKZXTYJJE-UHFFFAOYSA-N 1 1 462.590 5.163 50 0 JKAAMO CSc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009560709 555358005 /nfs/dbraw/zinc/35/80/05/555358005.db2.gz YNZLTHSGQPMQNR-UHFFFAOYSA-N 1 1 456.014 7.578 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000013165307 555368531 /nfs/dbraw/zinc/36/85/31/555368531.db2.gz YJGPOCUMCBQRJT-AREMUKBSSA-N 1 1 489.572 5.466 50 0 JKAAMO Cc1[nH]nc(-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Br)cc1 ZINC000013180014 555369115 /nfs/dbraw/zinc/36/91/15/555369115.db2.gz XZBYBOWERCLKQH-IYBDPMFKSA-N 1 1 486.410 5.008 50 0 JKAAMO Cc1[nH]nc(-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Br)cc1 ZINC000013180014 555369118 /nfs/dbraw/zinc/36/91/18/555369118.db2.gz XZBYBOWERCLKQH-IYBDPMFKSA-N 1 1 486.410 5.008 50 0 JKAAMO O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000013304239 555374309 /nfs/dbraw/zinc/37/43/09/555374309.db2.gz QOWMKBMYMQFTQB-RSFSRFMPSA-N 1 1 465.361 6.051 50 0 JKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccn4)nc4ccc(C)cc43)CC2)cc1 ZINC000013321615 555375652 /nfs/dbraw/zinc/37/56/52/555375652.db2.gz SPWZPVWQERTCMA-UHFFFAOYSA-N 1 1 450.586 5.126 50 0 JKAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c2c1 ZINC000013321607 555375696 /nfs/dbraw/zinc/37/56/96/555375696.db2.gz OFWGJYYOPGTUDH-UHFFFAOYSA-N 1 1 464.613 5.687 50 0 JKAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c2c1 ZINC000013321651 555376010 /nfs/dbraw/zinc/37/60/10/555376010.db2.gz JCXVWOCBMLGWJL-UHFFFAOYSA-N 1 1 478.640 5.861 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369265 555391118 /nfs/dbraw/zinc/39/11/18/555391118.db2.gz ADHVRVGKBCKWRB-DENIHFKCSA-N 1 1 453.030 5.689 50 0 JKAAMO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@H+](C)C[C@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468679 555402120 /nfs/dbraw/zinc/40/21/20/555402120.db2.gz KHYACKNGUMLYGX-AXIJBTFKSA-N 1 1 453.430 5.712 50 0 JKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598069 555415758 /nfs/dbraw/zinc/41/57/58/555415758.db2.gz WCFCQCFHFYHSEQ-UHFFFAOYSA-N 1 1 462.018 5.795 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000009607109 555433577 /nfs/dbraw/zinc/43/35/77/555433577.db2.gz DYNVILFTGQGGJI-UHFFFAOYSA-N 1 1 489.623 6.040 50 0 JKAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000009713613 555440312 /nfs/dbraw/zinc/44/03/12/555440312.db2.gz AXNJUWXMPSHJEM-XMMPIXPASA-N 1 1 487.604 5.321 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000013556245 555494035 /nfs/dbraw/zinc/49/40/35/555494035.db2.gz BXZVKVIABSWGMI-JWQCQUIFSA-N 1 1 489.000 5.875 50 0 JKAAMO COc1ccc(CNc2[nH+]cc(-c3ccc(Br)cc3Br)n2C)cc1 ZINC000009805572 555517854 /nfs/dbraw/zinc/51/78/54/555517854.db2.gz QKESVQSDSWVASH-UHFFFAOYSA-N 1 1 451.162 5.233 50 0 JKAAMO Cc1onc(-c2ccccc2)c1NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019880224 555525308 /nfs/dbraw/zinc/52/53/08/555525308.db2.gz RMQDDFIEYUVOSN-UHFFFAOYSA-N 1 1 450.542 5.570 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019879500 555525315 /nfs/dbraw/zinc/52/53/15/555525315.db2.gz DOQQOUIZNMDRQW-SANMLTNESA-N 1 1 486.641 5.512 50 0 JKAAMO Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)on1 ZINC000013595644 555528830 /nfs/dbraw/zinc/52/88/30/555528830.db2.gz IDLOGOWGBQTGOK-UHFFFAOYSA-N 1 1 486.622 6.132 50 0 JKAAMO Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)on1 ZINC000013595644 555528833 /nfs/dbraw/zinc/52/88/33/555528833.db2.gz IDLOGOWGBQTGOK-UHFFFAOYSA-N 1 1 486.622 6.132 50 0 JKAAMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)CC2)cc1 ZINC000019890208 555529908 /nfs/dbraw/zinc/52/99/08/555529908.db2.gz IRDYHFBHSJZVGC-JOCHJYFZSA-N 1 1 494.941 5.344 50 0 JKAAMO Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019894335 555532235 /nfs/dbraw/zinc/53/22/35/555532235.db2.gz NLNOBGIMPGFUTJ-UHFFFAOYSA-N 1 1 478.423 6.110 50 0 JKAAMO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[N@@H+]4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000009833278 555535586 /nfs/dbraw/zinc/53/55/86/555535586.db2.gz BDGUKDLRNQCGNZ-LPHOPBHVSA-N 1 1 471.981 5.327 50 0 JKAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2ccco2)C[C@@H](C(C)(C)C)CC3)c1 ZINC000019908529 555536495 /nfs/dbraw/zinc/53/64/95/555536495.db2.gz ZAEZIVBCGWJQNC-SFHVURJKSA-N 1 1 479.646 5.781 50 0 JKAAMO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019908804 555536780 /nfs/dbraw/zinc/53/67/80/555536780.db2.gz FXOUHSZKPXSEEX-QHCPKHFHSA-N 1 1 482.455 5.323 50 0 JKAAMO Cc1cccc(-n2cnc3c2ncnc3N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000019926033 555541853 /nfs/dbraw/zinc/54/18/53/555541853.db2.gz PZTGBQQRRJRPEQ-HHHXNRCGSA-N 1 1 495.030 5.689 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000019942361 555561231 /nfs/dbraw/zinc/56/12/31/555561231.db2.gz GCRRWXYJRPYVAB-UHFFFAOYSA-N 1 1 498.073 6.462 50 0 JKAAMO Clc1ccc([C@@H](c2ccccc2Cl)n2nnnc2C2([NH2+]Cc3ccccc3)CCCCC2)cc1 ZINC000009969701 555566350 /nfs/dbraw/zinc/56/63/50/555566350.db2.gz QHQBSEPBNNSUCX-VWLOTQADSA-N 1 1 492.454 6.567 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C1CCCCC1 ZINC000009969934 555567264 /nfs/dbraw/zinc/56/72/64/555567264.db2.gz MDLBTAJEVHLEJJ-FQEVSTJZSA-N 1 1 467.057 5.906 50 0 JKAAMO O=C(Nc1ccccc1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013746126 555607353 /nfs/dbraw/zinc/60/73/53/555607353.db2.gz CQTIOKPDHJOOPY-UHFFFAOYSA-N 1 1 450.380 5.388 50 0 JKAAMO CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020033083 555608126 /nfs/dbraw/zinc/60/81/26/555608126.db2.gz XNOXSMHBOTZVFM-UHFFFAOYSA-N 1 1 475.683 6.206 50 0 JKAAMO CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020033083 555608131 /nfs/dbraw/zinc/60/81/31/555608131.db2.gz XNOXSMHBOTZVFM-UHFFFAOYSA-N 1 1 475.683 6.206 50 0 JKAAMO Clc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000020033419 555608842 /nfs/dbraw/zinc/60/88/42/555608842.db2.gz KYPSJWDVTHREPF-SANMLTNESA-N 1 1 481.003 5.381 50 0 JKAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000020037561 555611563 /nfs/dbraw/zinc/61/15/63/555611563.db2.gz DZMGSZPDWIUFGW-JOCHJYFZSA-N 1 1 485.466 5.151 50 0 JKAAMO Brc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000013809695 555624105 /nfs/dbraw/zinc/62/41/05/555624105.db2.gz HFCWVXWVLFCWKC-PKTZIBPZSA-N 1 1 457.331 5.253 50 0 JKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000013811167 555627204 /nfs/dbraw/zinc/62/72/04/555627204.db2.gz RFQWMOLZZXBTES-ZEQRLZLVSA-N 1 1 458.974 5.866 50 0 JKAAMO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013880380 555638900 /nfs/dbraw/zinc/63/89/00/555638900.db2.gz FXIIXXNJUTYHLJ-UHFFFAOYSA-N 1 1 456.442 6.097 50 0 JKAAMO S=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013880382 555638910 /nfs/dbraw/zinc/63/89/10/555638910.db2.gz CAGSLGCRJKEAAB-UHFFFAOYSA-N 1 1 456.442 6.097 50 0 JKAAMO COc1ccc(Cl)cc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000020107768 555641824 /nfs/dbraw/zinc/64/18/24/555641824.db2.gz OMBJEUIRKLNLOG-KRWDZBQOSA-N 1 1 452.089 5.731 50 0 JKAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000010213241 555646859 /nfs/dbraw/zinc/64/68/59/555646859.db2.gz OKQFYZAFCQDHLL-MHZLTWQESA-N 1 1 455.602 5.399 50 0 JKAAMO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020149776 555665370 /nfs/dbraw/zinc/66/53/70/555665370.db2.gz KEBGKLFCQOGUEO-UHFFFAOYSA-N 1 1 464.634 6.790 50 0 JKAAMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 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/nfs/dbraw/zinc/68/83/34/555688334.db2.gz QAQXPFGMTAOUNU-RYEBZEHMSA-N 1 1 498.092 5.591 50 0 JKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020181395 555688573 /nfs/dbraw/zinc/68/85/73/555688573.db2.gz KUTFMNXNBCWVLV-KOEQRZSOSA-N 1 1 492.044 5.068 50 0 JKAAMO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2ccccc2Br)c2ccccc2)cc1 ZINC000014138667 555705088 /nfs/dbraw/zinc/70/50/88/555705088.db2.gz RICLYWOPPCNCEX-OSPHWJPCSA-N 1 1 453.380 5.014 50 0 JKAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000020219045 555712987 /nfs/dbraw/zinc/71/29/87/555712987.db2.gz HFKAAUFNANBKDD-IRXDYDNUSA-N 1 1 456.011 5.249 50 0 JKAAMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020223620 555717677 /nfs/dbraw/zinc/71/76/77/555717677.db2.gz OUPFVNGZYLQSHE-UHFFFAOYSA-N 1 1 452.558 5.589 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020240988 555736543 /nfs/dbraw/zinc/73/65/43/555736543.db2.gz DURNCYDAOVCTLP-XUZZJYLKSA-N 1 1 464.009 5.709 50 0 JKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c(C)o2)cc1 ZINC000020240919 555736549 /nfs/dbraw/zinc/73/65/49/555736549.db2.gz WMAVXUPHUAVQOJ-JOCHJYFZSA-N 1 1 451.998 5.394 50 0 JKAAMO CCCCSCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020240946 555736557 /nfs/dbraw/zinc/73/65/57/555736557.db2.gz MZFZNOPAUPLXEC-QHCPKHFHSA-N 1 1 457.684 5.464 50 0 JKAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011088034 555758775 /nfs/dbraw/zinc/75/87/75/555758775.db2.gz OOASGONSSNTNQO-SFHVURJKSA-N 1 1 480.406 5.641 50 0 JKAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011088034 555758779 /nfs/dbraw/zinc/75/87/79/555758779.db2.gz OOASGONSSNTNQO-SFHVURJKSA-N 1 1 480.406 5.641 50 0 JKAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020347246 555779586 /nfs/dbraw/zinc/77/95/86/555779586.db2.gz GDEGGJAZCZOKEA-UHFFFAOYSA-N 1 1 475.592 5.486 50 0 JKAAMO Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020347265 555779595 /nfs/dbraw/zinc/77/95/95/555779595.db2.gz WYVVEOGABWQCIF-UHFFFAOYSA-N 1 1 489.619 5.795 50 0 JKAAMO O=C(c1cccc(OCCOc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347260 555779716 /nfs/dbraw/zinc/77/97/16/555779716.db2.gz WYCXWKNLMCELPA-UHFFFAOYSA-N 1 1 492.619 5.692 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355189 555782693 /nfs/dbraw/zinc/78/26/93/555782693.db2.gz KXTHRFIBIWNSHG-DYIFSOBNSA-N 1 1 495.623 5.176 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)C1 ZINC000020508690 555791997 /nfs/dbraw/zinc/79/19/97/555791997.db2.gz DEQKDFCJTIUWLK-RFLWCCGPSA-N 1 1 479.690 5.210 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1c1cccs1 ZINC000020508389 555792068 /nfs/dbraw/zinc/79/20/68/555792068.db2.gz JZXJENSQODVAJC-LHYMKVENSA-N 1 1 481.706 5.169 50 0 JKAAMO CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532143 555799943 /nfs/dbraw/zinc/79/99/43/555799943.db2.gz ZHCQOZQSKJVUBU-QHCPKHFHSA-N 1 1 464.679 6.388 50 0 JKAAMO Cc1cc(C)cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020532151 555800419 /nfs/dbraw/zinc/80/04/19/555800419.db2.gz UEGHOKCLJJXPKG-HSZRJFAPSA-N 1 1 464.679 6.443 50 0 JKAAMO CCOc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532167 555800511 /nfs/dbraw/zinc/80/05/11/555800511.db2.gz WVKQDDLCRPSULR-QHCPKHFHSA-N 1 1 480.678 6.224 50 0 JKAAMO Cc1ccc(Cl)cc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532161 555800518 /nfs/dbraw/zinc/80/05/18/555800518.db2.gz XLUIAQNQOMKVGJ-OAQYLSRUSA-N 1 1 485.097 6.788 50 0 JKAAMO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532163 555800521 /nfs/dbraw/zinc/80/05/21/555800521.db2.gz MAOCLLKCDGFUIZ-QFIPXVFZSA-N 1 1 466.651 5.834 50 0 JKAAMO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c(OC)c1 ZINC000020532171 555800539 /nfs/dbraw/zinc/80/05/39/555800539.db2.gz HPTWROSYXOLXPS-QFIPXVFZSA-N 1 1 496.677 5.843 50 0 JKAAMO CCc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000020532187 555800782 /nfs/dbraw/zinc/80/07/82/555800782.db2.gz MOQBHJKTACHMBQ-XMMPIXPASA-N 1 1 478.706 6.778 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2cccc(OC)c2)C1 ZINC000020532185 555800831 /nfs/dbraw/zinc/80/08/31/555800831.db2.gz BLIJJXZCCXZTQF-HSZRJFAPSA-N 1 1 480.678 6.224 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000020532191 555801080 /nfs/dbraw/zinc/80/10/80/555801080.db2.gz XSHYPKYSYHEEBF-XMMPIXPASA-N 1 1 478.706 6.833 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCc2ccc(C)cc2)C1 ZINC000020532209 555801234 /nfs/dbraw/zinc/80/12/34/555801234.db2.gz DHKOSQDIEVGQFP-XMMPIXPASA-N 1 1 478.706 6.202 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000020532227 555801425 /nfs/dbraw/zinc/80/14/25/555801425.db2.gz WVECSKHINVWQHB-OAHLLOKOSA-N 1 1 459.015 5.462 50 0 JKAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@H](COc3cccc(C[N@@H+](C)Cc4cnn(C)c4)c3)C2)c1C ZINC000011782369 555812654 /nfs/dbraw/zinc/81/26/54/555812654.db2.gz HIPYRCXBVDVKCW-XMMPIXPASA-N 1 1 499.659 5.081 50 0 JKAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@H](COc3cccc(C[N@H+](C)Cc4cnn(C)c4)c3)C2)c1C ZINC000011782369 555812657 /nfs/dbraw/zinc/81/26/57/555812657.db2.gz HIPYRCXBVDVKCW-XMMPIXPASA-N 1 1 499.659 5.081 50 0 JKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC1CCCCC1 ZINC000011784866 555816454 /nfs/dbraw/zinc/81/64/54/555816454.db2.gz SQOOSHASQLJBCX-QPPBQGQZSA-N 1 1 478.662 5.003 50 0 JKAAMO COc1cccc(C[C@H](C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[N@@H+](C)Cc2ccccn2)c1 ZINC000011786203 555819362 /nfs/dbraw/zinc/81/93/62/555819362.db2.gz DXGMNDLXKWXKLT-HHHXNRCGSA-N 1 1 496.026 5.478 50 0 JKAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(OCc3ccccc3)c1)CCO2 ZINC000011787150 555820933 /nfs/dbraw/zinc/82/09/33/555820933.db2.gz FEEJENDUEHBAMT-LJAQVGFWSA-N 1 1 452.554 5.137 50 0 JKAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cccc(OCc3ccccc3)c1)CCO2 ZINC000011787150 555820937 /nfs/dbraw/zinc/82/09/37/555820937.db2.gz FEEJENDUEHBAMT-LJAQVGFWSA-N 1 1 452.554 5.137 50 0 JKAAMO O=C(NC1CCCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014540339 555830472 /nfs/dbraw/zinc/83/04/72/555830472.db2.gz UVZTZASBEDEEJN-LEWJYISDSA-N 1 1 475.555 5.066 50 0 JKAAMO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](C/C(Cl)=C/c4ccccc4)CC3)C2=O)cc1 ZINC000014542390 555832999 /nfs/dbraw/zinc/83/29/99/555832999.db2.gz LCOZNTDCQHNNFC-ULJHMMPZSA-N 1 1 496.051 5.230 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c12 ZINC000020579128 555833857 /nfs/dbraw/zinc/83/38/57/555833857.db2.gz IMXWAKJTFOPBFU-UHFFFAOYSA-N 1 1 476.024 5.251 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597934 555840165 /nfs/dbraw/zinc/84/01/65/555840165.db2.gz BLGLDDVWUIDYEW-FQEVSTJZSA-N 1 1 488.632 5.147 50 0 JKAAMO C[N@@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCOC(C)(C)C2)cc1)Cc1cccc2ccccc21 ZINC000014999419 555843530 /nfs/dbraw/zinc/84/35/30/555843530.db2.gz MWWUEKFAMVCJRX-XMMPIXPASA-N 1 1 460.618 5.172 50 0 JKAAMO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)c(F)c1 ZINC000015001725 555846596 /nfs/dbraw/zinc/84/65/96/555846596.db2.gz LLBRFKHJJQJLLN-HSZRJFAPSA-N 1 1 484.616 5.255 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904448 555849248 /nfs/dbraw/zinc/84/92/48/555849248.db2.gz DHCHYCBEEYGKTM-KSNOWIBYSA-N 1 1 467.679 5.066 50 0 JKAAMO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+](Cc2nc(-c4ccccc4)cs2)CC3)cc1 ZINC000015008206 555852669 /nfs/dbraw/zinc/85/26/69/555852669.db2.gz GYXUVSNENSEHSW-XMMPIXPASA-N 1 1 475.658 5.258 50 0 JKAAMO 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O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000015276565 555892385 /nfs/dbraw/zinc/89/23/85/555892385.db2.gz OFMRCMZEVATFDR-PBHICJAKSA-N 1 1 480.968 5.167 50 0 JKAAMO COc1cccc(CCN2C(=O)CC[C@@H]3C[N@H+](Cc4ccc(-c5ccccc5Cl)o4)CC[C@@H]32)c1 ZINC000012079305 555902775 /nfs/dbraw/zinc/90/27/75/555902775.db2.gz DMJXLXJYYGILAN-RLWLMLJZSA-N 1 1 479.020 5.664 50 0 JKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)C2CC2)c1)Cc1cccc2cccnc21 ZINC000012099046 555906366 /nfs/dbraw/zinc/90/63/66/555906366.db2.gz KTCZOWLEOKMGQP-SANMLTNESA-N 1 1 457.618 5.427 50 0 JKAAMO COc1c(Br)cc(Br)cc1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000015582284 555916593 /nfs/dbraw/zinc/91/65/93/555916593.db2.gz DNURICVZWFMMSQ-UHFFFAOYSA-N 1 1 493.243 5.372 50 0 JKAAMO Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022324913 555922041 /nfs/dbraw/zinc/92/20/41/555922041.db2.gz CSHGRBNNSULTGD-IYBDPMFKSA-N 1 1 454.596 5.057 50 0 JKAAMO Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022324913 555922043 /nfs/dbraw/zinc/92/20/43/555922043.db2.gz CSHGRBNNSULTGD-IYBDPMFKSA-N 1 1 454.596 5.057 50 0 JKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccccn2)C3)C1 ZINC000012150138 555922103 /nfs/dbraw/zinc/92/21/03/555922103.db2.gz ZNTOCGWHQGSSLO-HXUWFJFHSA-N 1 1 492.019 5.157 50 0 JKAAMO COc1cccc(Cn2c(=O)c(C[N@@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)cc3ccc(F)cc32)c1 ZINC000012151084 555923475 /nfs/dbraw/zinc/92/34/75/555923475.db2.gz DZAFXIGXRYZSFC-FQEVSTJZSA-N 1 1 496.586 5.781 50 0 JKAAMO CC(C)C[N@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)Cc1cc2ccccc2s1 ZINC000012151204 555923820 /nfs/dbraw/zinc/92/38/20/555923820.db2.gz HXFJWQSVXUSWGN-REWPJTCUSA-N 1 1 478.687 5.627 50 0 JKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)/C=C/c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012152437 555926437 /nfs/dbraw/zinc/92/64/37/555926437.db2.gz IADCWLLZVQYFNW-ACCUITESSA-N 1 1 497.664 6.012 50 0 JKAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672925 555930801 /nfs/dbraw/zinc/93/08/01/555930801.db2.gz CAJRGJBWVOBYKZ-MHZLTWQESA-N 1 1 486.726 5.268 50 0 JKAAMO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CC[N@@H+](C)C2CCCCC2)C3=O)s1 ZINC000015673239 555932068 /nfs/dbraw/zinc/93/20/68/555932068.db2.gz UIJKTELPEHVNNU-NDEPHWFRSA-N 1 1 498.737 5.193 50 0 JKAAMO O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000012164282 555932249 /nfs/dbraw/zinc/93/22/49/555932249.db2.gz KQUIIMCTWUPQNF-GGAORHGYSA-N 1 1 462.615 5.076 50 0 JKAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675665 555934282 /nfs/dbraw/zinc/93/42/82/555934282.db2.gz ZASWSVJJXYDRTJ-LJAQVGFWSA-N 1 1 496.696 5.333 50 0 JKAAMO O=C(C1CCCCC1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022657062 555941203 /nfs/dbraw/zinc/94/12/03/555941203.db2.gz CEONWAHMSUXBDT-UHFFFAOYSA-N 1 1 489.487 6.214 50 0 JKAAMO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000012211390 555943030 /nfs/dbraw/zinc/94/30/30/555943030.db2.gz JZLXKIVUIFRQGM-SIKLNZKXSA-N 1 1 476.646 5.259 50 0 JKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000015678414 555943595 /nfs/dbraw/zinc/94/35/95/555943595.db2.gz FFALSUZVVKRQLC-UHFFFAOYSA-N 1 1 453.630 5.569 50 0 JKAAMO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCCC[C@@H]1c1cccnc1 ZINC000012318399 555951051 /nfs/dbraw/zinc/95/10/51/555951051.db2.gz OGINYXKCGXTSFR-IAPPQJPRSA-N 1 1 452.602 5.534 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682196 555951553 /nfs/dbraw/zinc/95/15/53/555951553.db2.gz UDEGCAQKDNTEQR-OAQYLSRUSA-N 1 1 477.674 6.245 50 0 JKAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000022918366 555972439 /nfs/dbraw/zinc/97/24/39/555972439.db2.gz ZGYQVMZTTCMRKW-WKTQQXIRSA-N 1 1 497.470 5.364 50 0 JKAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC2)cc1 ZINC000022919647 555973348 /nfs/dbraw/zinc/97/33/48/555973348.db2.gz ZQYSICJFPFBGIY-UHFFFAOYSA-N 1 1 453.936 5.239 50 0 JKAAMO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022924879 555976908 /nfs/dbraw/zinc/97/69/08/555976908.db2.gz IPYZWZOSRVLJDW-WJOKGBTCSA-N 1 1 492.663 5.561 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734909 555980741 /nfs/dbraw/zinc/98/07/41/555980741.db2.gz BCBHQWZNXSNNJI-OAQYLSRUSA-N 1 1 493.677 5.095 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000012485567 555987596 /nfs/dbraw/zinc/98/75/96/555987596.db2.gz YIYHGBBJAPVMAK-PXAQALGRSA-N 1 1 490.591 7.296 50 0 JKAAMO COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000022938307 555991838 /nfs/dbraw/zinc/99/18/38/555991838.db2.gz OTQOYLPCYRLRSD-HHHXNRCGSA-N 1 1 485.584 5.039 50 0 JKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022938326 555991882 /nfs/dbraw/zinc/99/18/82/555991882.db2.gz VTCKBTKDHNRLFX-SANMLTNESA-N 1 1 457.549 5.469 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 ZINC000023153872 556024844 /nfs/dbraw/zinc/02/48/44/556024844.db2.gz YWISPIQORVDCGC-UHFFFAOYSA-N 1 1 474.076 6.759 50 0 JKAAMO COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C)C2 ZINC000023153847 556024963 /nfs/dbraw/zinc/02/49/63/556024963.db2.gz SQMVMXFJPYHIQO-UHFFFAOYSA-N 1 1 485.634 6.427 50 0 JKAAMO COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C)C2 ZINC000023153847 556024967 /nfs/dbraw/zinc/02/49/67/556024967.db2.gz SQMVMXFJPYHIQO-UHFFFAOYSA-N 1 1 485.634 6.427 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000012548990 556027977 /nfs/dbraw/zinc/02/79/77/556027977.db2.gz XYOGHGRYZQUEPF-ROUUACIJSA-N 1 1 470.679 5.806 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000012548990 556027981 /nfs/dbraw/zinc/02/79/81/556027981.db2.gz XYOGHGRYZQUEPF-ROUUACIJSA-N 1 1 470.679 5.806 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182476 556028733 /nfs/dbraw/zinc/02/87/33/556028733.db2.gz LKOFQHKTBSYWAR-SBUREZEXSA-N 1 1 489.085 5.779 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000023182430 556028746 /nfs/dbraw/zinc/02/87/46/556028746.db2.gz DBKTWQBLMJHZQA-CPJSRVTESA-N 1 1 482.694 5.742 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182442 556028756 /nfs/dbraw/zinc/02/87/56/556028756.db2.gz GLFYGBMFPPBWIT-HXOBKFHXSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182449 556028758 /nfs/dbraw/zinc/02/87/58/556028758.db2.gz JUPBSRPLIQMFOF-UZUQRXQVSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182522 556028983 /nfs/dbraw/zinc/02/89/83/556028983.db2.gz RPBBDKIIFWELDS-SBUREZEXSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182546 556029010 /nfs/dbraw/zinc/02/90/10/556029010.db2.gz SOXMHLCFKFUMNG-GAJHUEQPSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182571 556029033 /nfs/dbraw/zinc/02/90/33/556029033.db2.gz LKJLMICAFMPHBE-SBUREZEXSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182538 556029057 /nfs/dbraw/zinc/02/90/57/556029057.db2.gz KRQZGHJZOROACS-SBUREZEXSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182671 556029064 /nfs/dbraw/zinc/02/90/64/556029064.db2.gz GEWNVDHAGZJTKL-UZUQRXQVSA-N 1 1 473.017 5.614 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182558 556029072 /nfs/dbraw/zinc/02/90/72/556029072.db2.gz LKJLMICAFMPHBE-UZUQRXQVSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182526 556029130 /nfs/dbraw/zinc/02/91/30/556029130.db2.gz KRQZGHJZOROACS-UZUQRXQVSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182530 556029164 /nfs/dbraw/zinc/02/91/64/556029164.db2.gz KRQZGHJZOROACS-GAJHUEQPSA-N 1 1 472.630 5.265 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182492 556029171 /nfs/dbraw/zinc/02/91/71/556029171.db2.gz DICSQDSHNMSUBB-CYFREDJKSA-N 1 1 468.667 5.434 50 0 JKAAMO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccc(Br)cc2)CC1 ZINC000015859346 556029461 /nfs/dbraw/zinc/02/94/61/556029461.db2.gz WWXOTLVZFQEQIU-XMMPIXPASA-N 1 1 493.401 6.862 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000015859775 556031138 /nfs/dbraw/zinc/03/11/38/556031138.db2.gz YJNBKANRZDGHEP-MHZLTWQESA-N 1 1 481.987 6.682 50 0 JKAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(-n3nnc(-c5cccc(C(F)(F)F)c5)n3)n2)CCC4)CC1 ZINC000012551693 556033989 /nfs/dbraw/zinc/03/39/89/556033989.db2.gz SRGWAZKZQTVREF-UHFFFAOYSA-N 1 1 499.566 5.073 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(C(C)C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864885 556040853 /nfs/dbraw/zinc/04/08/53/556040853.db2.gz ADVSERGAZHECHV-MUUNZHRXSA-N 1 1 470.682 7.853 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)cc3OC)oc1C)[C@H]2c1ccccc1 ZINC000015864882 556040861 /nfs/dbraw/zinc/04/08/61/556040861.db2.gz PKAYVXPVEMIFPL-MHZLTWQESA-N 1 1 488.653 6.747 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)cc3OC)oc1C)[C@H]2c1ccccc1 ZINC000015864882 556040863 /nfs/dbraw/zinc/04/08/63/556040863.db2.gz PKAYVXPVEMIFPL-MHZLTWQESA-N 1 1 488.653 6.747 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(Br)cc1)[C@@H]2c1ccccc1 ZINC000015864855 556040869 /nfs/dbraw/zinc/04/08/69/556040869.db2.gz UZCYIPJAOUHWPK-HSZRJFAPSA-N 1 1 469.448 5.968 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)[C@@H]2c1ccccc1 ZINC000015864855 556040871 /nfs/dbraw/zinc/04/08/71/556040871.db2.gz UZCYIPJAOUHWPK-HSZRJFAPSA-N 1 1 469.448 5.968 50 0 JKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334486 556044116 /nfs/dbraw/zinc/04/41/16/556044116.db2.gz NLKJGPJOCURPKM-QGZVFWFLSA-N 1 1 473.448 6.291 50 0 JKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336181 556045790 /nfs/dbraw/zinc/04/57/90/556045790.db2.gz SXGRLJCXSRVWSI-QHCPKHFHSA-N 1 1 487.692 5.974 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336278 556046132 /nfs/dbraw/zinc/04/61/32/556046132.db2.gz DUYJKUYYIJXJPP-QHCPKHFHSA-N 1 1 485.676 5.728 50 0 JKAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336278 556046133 /nfs/dbraw/zinc/04/61/33/556046133.db2.gz DUYJKUYYIJXJPP-QHCPKHFHSA-N 1 1 485.676 5.728 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336278 556046136 /nfs/dbraw/zinc/04/61/36/556046136.db2.gz DUYJKUYYIJXJPP-QHCPKHFHSA-N 1 1 485.676 5.728 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012558309 556047616 /nfs/dbraw/zinc/04/76/16/556047616.db2.gz DUGZYNAJVLVDKS-XUZZJYLKSA-N 1 1 454.599 5.357 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012559553 556050384 /nfs/dbraw/zinc/05/03/84/556050384.db2.gz BWCVMPIOTFQONF-UHFFFAOYSA-N 1 1 471.004 5.382 50 0 JKAAMO Cc1ccc(SCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000015881858 556054127 /nfs/dbraw/zinc/05/41/27/556054127.db2.gz RNJNUZSJNIQOCR-UHFFFAOYSA-N 1 1 479.696 6.442 50 0 JKAAMO Cc1ccc(SCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000015881858 556054129 /nfs/dbraw/zinc/05/41/29/556054129.db2.gz RNJNUZSJNIQOCR-UHFFFAOYSA-N 1 1 479.696 6.442 50 0 JKAAMO Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000015881857 556054157 /nfs/dbraw/zinc/05/41/57/556054157.db2.gz RLRNHFZTXHREAG-UHFFFAOYSA-N 1 1 465.669 6.052 50 0 JKAAMO Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000015881857 556054159 /nfs/dbraw/zinc/05/41/59/556054159.db2.gz RLRNHFZTXHREAG-UHFFFAOYSA-N 1 1 465.669 6.052 50 0 JKAAMO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012562077 556055854 /nfs/dbraw/zinc/05/58/54/556055854.db2.gz JHVPXNMWMBJGAU-UHFFFAOYSA-N 1 1 462.593 5.666 50 0 JKAAMO COc1cc2c(cc1OC)C[N@H+](Cn1c(COc3ccc(Cl)cc3)nc3ccccc31)CC2 ZINC000012565718 556063276 /nfs/dbraw/zinc/06/32/76/556063276.db2.gz KTQMJIRHFLULMG-UHFFFAOYSA-N 1 1 463.965 5.302 50 0 JKAAMO COc1cc2c(cc1OC)C[N@@H+](Cn1c(COc3ccc(Cl)cc3)nc3ccccc31)CC2 ZINC000012565718 556063280 /nfs/dbraw/zinc/06/32/80/556063280.db2.gz KTQMJIRHFLULMG-UHFFFAOYSA-N 1 1 463.965 5.302 50 0 JKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450792 556065307 /nfs/dbraw/zinc/06/53/07/556065307.db2.gz GGMGKTQQDLRALZ-OAQYLSRUSA-N 1 1 454.618 6.137 50 0 JKAAMO CCN(CC[N@@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023450694 556065424 /nfs/dbraw/zinc/06/54/24/556065424.db2.gz DTNSMOMBFJSDIP-UHFFFAOYSA-N 1 1 475.633 5.087 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000015943753 556079447 /nfs/dbraw/zinc/07/94/47/556079447.db2.gz QYJVOLSFWOOVIO-GOSISDBHSA-N 1 1 451.636 5.567 50 0 JKAAMO O=C(c1ccccc1)[C@H](CCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000023634462 556081000 /nfs/dbraw/zinc/08/10/00/556081000.db2.gz DZJVYYUUZFCXQS-NSOVKSMOSA-N 1 1 460.662 6.022 50 0 JKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946716 556083339 /nfs/dbraw/zinc/08/33/39/556083339.db2.gz DNSDVZRCKQMJSK-RBBKRZOGSA-N 1 1 495.733 6.663 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946716 556083343 /nfs/dbraw/zinc/08/33/43/556083343.db2.gz DNSDVZRCKQMJSK-RBBKRZOGSA-N 1 1 495.733 6.663 50 0 JKAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000015946544 556083382 /nfs/dbraw/zinc/08/33/82/556083382.db2.gz IESDPCJUWNTIDL-LJQANCHMSA-N 1 1 497.705 5.975 50 0 JKAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000015946542 556083395 /nfs/dbraw/zinc/08/33/95/556083395.db2.gz IESDPCJUWNTIDL-IBGZPJMESA-N 1 1 497.705 5.975 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946720 556083659 /nfs/dbraw/zinc/08/36/59/556083659.db2.gz JYEXXHBMMFYALP-FQEVSTJZSA-N 1 1 481.706 6.130 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C)C3)cc1 ZINC000015946829 556083965 /nfs/dbraw/zinc/08/39/65/556083965.db2.gz HYBVIDCOUYCZQN-GOSISDBHSA-N 1 1 469.651 5.194 50 0 JKAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc2c1CCCC2 ZINC000015946857 556083998 /nfs/dbraw/zinc/08/39/98/556083998.db2.gz SXNOCCFQWUKUDY-HNNXBMFYSA-N 1 1 476.042 5.354 50 0 JKAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc2c1CCCC2 ZINC000015946857 556084001 /nfs/dbraw/zinc/08/40/01/556084001.db2.gz SXNOCCFQWUKUDY-HNNXBMFYSA-N 1 1 476.042 5.354 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C)C3)cc1 ZINC000015946827 556084006 /nfs/dbraw/zinc/08/40/06/556084006.db2.gz HYBVIDCOUYCZQN-SFHVURJKSA-N 1 1 469.651 5.194 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000015947243 556084691 /nfs/dbraw/zinc/08/46/91/556084691.db2.gz CDRVPNUYPZEOAP-XMMPIXPASA-N 1 1 489.641 6.072 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947148 556084747 /nfs/dbraw/zinc/08/47/47/556084747.db2.gz NYJZQKYGHPEYFE-VWLOTQADSA-N 1 1 483.593 5.927 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947287 556085099 /nfs/dbraw/zinc/08/50/99/556085099.db2.gz LVSQKLJATKYRDI-LJQANCHMSA-N 1 1 458.381 5.578 50 0 JKAAMO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)o2)cc1Cl ZINC000015947374 556085161 /nfs/dbraw/zinc/08/51/61/556085161.db2.gz NQXKRQNZDXIULU-VWLOTQADSA-N 1 1 490.028 6.957 50 0 JKAAMO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)o2)cc1Cl ZINC000015947374 556085164 /nfs/dbraw/zinc/08/51/64/556085164.db2.gz NQXKRQNZDXIULU-VWLOTQADSA-N 1 1 490.028 6.957 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c2)N3)C1 ZINC000015947269 556085256 /nfs/dbraw/zinc/08/52/56/556085256.db2.gz RGOMBJLZJCHYCX-QFIPXVFZSA-N 1 1 498.004 5.436 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000015981979 556100091 /nfs/dbraw/zinc/10/00/91/556100091.db2.gz IYTJUHDUNCFUMJ-DVECYGJZSA-N 1 1 462.615 6.004 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000015981979 556100094 /nfs/dbraw/zinc/10/00/94/556100094.db2.gz IYTJUHDUNCFUMJ-DVECYGJZSA-N 1 1 462.615 6.004 50 0 JKAAMO O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)O[C@@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000012660323 556100675 /nfs/dbraw/zinc/10/06/75/556100675.db2.gz CWLBJKAFUSVHKO-MRXNPFEDSA-N 1 1 489.400 6.041 50 0 biogenic JKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015982288 556100730 /nfs/dbraw/zinc/10/07/30/556100730.db2.gz PTAWJSWNQUDTLI-GDLZYMKVSA-N 1 1 463.581 5.658 50 0 JKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015982288 556100733 /nfs/dbraw/zinc/10/07/33/556100733.db2.gz PTAWJSWNQUDTLI-GDLZYMKVSA-N 1 1 463.581 5.658 50 0 JKAAMO CCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000023989413 556113096 /nfs/dbraw/zinc/11/30/96/556113096.db2.gz SNCVPDBFRAGLJO-AREMUKBSSA-N 1 1 494.686 5.172 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2c1C ZINC000023990945 556114866 /nfs/dbraw/zinc/11/48/66/556114866.db2.gz WHBHLSBZGUKOMJ-UHFFFAOYSA-N 1 1 465.667 5.294 50 0 JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000016041281 556121468 /nfs/dbraw/zinc/12/14/68/556121468.db2.gz VRSQERDXHFMAAL-PIPMEXSNSA-N 1 1 469.840 5.547 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000024762450 556152204 /nfs/dbraw/zinc/15/22/04/556152204.db2.gz DBSXQKRREACMNX-KRWDZBQOSA-N 1 1 453.995 5.051 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000024762459 556152242 /nfs/dbraw/zinc/15/22/42/556152242.db2.gz DBSXQKRREACMNX-QGZVFWFLSA-N 1 1 453.995 5.051 50 0 JKAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)CC1 ZINC000016695581 556154015 /nfs/dbraw/zinc/15/40/15/556154015.db2.gz FYKABRBYLQVXDM-SANMLTNESA-N 1 1 496.560 5.074 50 0 JKAAMO COc1cc(OC)cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)c1 ZINC000016837175 556163063 /nfs/dbraw/zinc/16/30/63/556163063.db2.gz NEDNMSHRAYHYRQ-UHFFFAOYSA-N 1 1 493.654 6.061 50 0 JKAAMO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012973467 556165168 /nfs/dbraw/zinc/16/51/68/556165168.db2.gz CQNXRHNAXZLMLO-UHFFFAOYSA-N 1 1 482.717 5.565 50 0 JKAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012973467 556165169 /nfs/dbraw/zinc/16/51/69/556165169.db2.gz CQNXRHNAXZLMLO-UHFFFAOYSA-N 1 1 482.717 5.565 50 0 JKAAMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC ZINC000025036503 556172875 /nfs/dbraw/zinc/17/28/75/556172875.db2.gz UEEVNYSELLYVRH-CQSZACIVSA-N 1 1 459.999 5.174 50 0 JKAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000013004351 556196624 /nfs/dbraw/zinc/19/66/24/556196624.db2.gz BAFZMDNGXDURIZ-UHFFFAOYSA-N 1 1 463.965 5.422 50 0 JKAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)n2)cc1 ZINC000017012380 556202398 /nfs/dbraw/zinc/20/23/98/556202398.db2.gz MWQGQLWSDZIOOC-UHFFFAOYSA-N 1 1 479.584 5.167 50 0 JKAAMO FC(F)Sc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025390447 556211894 /nfs/dbraw/zinc/21/18/94/556211894.db2.gz OYIOWCYDJWEVDR-UHFFFAOYSA-N 1 1 469.626 6.105 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113390 556218282 /nfs/dbraw/zinc/21/82/82/556218282.db2.gz MEIDHDSJMDSMTB-UHFFFAOYSA-N 1 1 463.628 5.809 50 0 JKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000025575478 556222574 /nfs/dbraw/zinc/22/25/74/556222574.db2.gz NJYCIRZRZFXRHS-DHIUTWEWSA-N 1 1 481.770 6.451 50 0 JKAAMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575330 556222588 /nfs/dbraw/zinc/22/25/88/556222588.db2.gz OQXNSTALAGJTOP-XZOQPEGZSA-N 1 1 481.770 6.451 50 0 JKAAMO C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CC[NH+](Cc5ccccc5F)CC4)c23)C1 ZINC000013030343 556225302 /nfs/dbraw/zinc/22/53/02/556225302.db2.gz ZKKWKEZXLIUWPJ-GOSISDBHSA-N 1 1 473.621 5.339 50 0 JKAAMO C[N@@H+]1CCc2nc3sc4c(ncnc4SCC(=O)c4ccccc4)c3c(-c3ccccc3)c2C1 ZINC000017155247 556228370 /nfs/dbraw/zinc/22/83/70/556228370.db2.gz OFRZUACMEFUIND-UHFFFAOYSA-N 1 1 482.634 5.869 50 0 JKAAMO C[N@H+]1CCc2nc3sc4c(ncnc4SCC(=O)c4ccccc4)c3c(-c3ccccc3)c2C1 ZINC000017155247 556228372 /nfs/dbraw/zinc/22/83/72/556228372.db2.gz OFRZUACMEFUIND-UHFFFAOYSA-N 1 1 482.634 5.869 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000013031829 556229229 /nfs/dbraw/zinc/22/92/29/556229229.db2.gz HMXDDKLZZZXVEF-LJAQVGFWSA-N 1 1 489.637 6.451 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000013031829 556229233 /nfs/dbraw/zinc/22/92/33/556229233.db2.gz HMXDDKLZZZXVEF-LJAQVGFWSA-N 1 1 489.637 6.451 50 0 JKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)c1 ZINC000025783993 556235642 /nfs/dbraw/zinc/23/56/42/556235642.db2.gz NUOVBOQYXRKQLB-BJKOFHAPSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Br)c2)c1 ZINC000025784022 556235684 /nfs/dbraw/zinc/23/56/84/556235684.db2.gz JMSFZLIYMHEQKG-RPWUZVMVSA-N 1 1 487.357 5.262 50 0 JKAAMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC ZINC000013040267 556242952 /nfs/dbraw/zinc/24/29/52/556242952.db2.gz FZCRRCPCVMVJDY-IBGZPJMESA-N 1 1 459.590 5.681 50 0 JKAAMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC ZINC000013040267 556242953 /nfs/dbraw/zinc/24/29/53/556242953.db2.gz FZCRRCPCVMVJDY-IBGZPJMESA-N 1 1 459.590 5.681 50 0 JKAAMO CCOC(=O)c1cc(CC)sc1NC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000013041010 556245470 /nfs/dbraw/zinc/24/54/70/556245470.db2.gz POSZIKBMTPBBKP-UHFFFAOYSA-N 1 1 457.640 5.302 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017288802 556251719 /nfs/dbraw/zinc/25/17/19/556251719.db2.gz WKXCMGVJWXBWCS-UHFFFAOYSA-N 1 1 476.652 6.265 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017288802 556251723 /nfs/dbraw/zinc/25/17/23/556251723.db2.gz WKXCMGVJWXBWCS-UHFFFAOYSA-N 1 1 476.652 6.265 50 0 JKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000017296992 556252422 /nfs/dbraw/zinc/25/24/22/556252422.db2.gz DEJJZJZXNMDDLV-UHFFFAOYSA-N 1 1 494.517 5.886 50 0 JKAAMO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306179 556253767 /nfs/dbraw/zinc/25/37/67/556253767.db2.gz NXTPPTRQKHZAJU-KRWDZBQOSA-N 1 1 470.602 5.042 50 0 JKAAMO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306179 556253772 /nfs/dbraw/zinc/25/37/72/556253772.db2.gz NXTPPTRQKHZAJU-KRWDZBQOSA-N 1 1 470.602 5.042 50 0 JKAAMO CC1CC[NH+](Cc2nc3scc(-c4ccccc4)c3c(Oc3cccc4c3OC(C)(C)C4)n2)CC1 ZINC000013068390 556264673 /nfs/dbraw/zinc/26/46/73/556264673.db2.gz BDVXGLUIVAUYCG-UHFFFAOYSA-N 1 1 485.653 7.096 50 0 JKAAMO Cc1ccccc1Nc1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000027118216 556274140 /nfs/dbraw/zinc/27/41/40/556274140.db2.gz YFGXJNQAADSVCN-UHFFFAOYSA-N 1 1 468.626 5.743 50 0 JKAAMO C[C@@H]1Cc2cc(-c3cc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)no3)ccc2O1 ZINC000028287014 556327613 /nfs/dbraw/zinc/32/76/13/556327613.db2.gz ZRPNKQKWJHZSIX-OAQYLSRUSA-N 1 1 479.580 5.212 50 0 JKAAMO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000028656102 556338948 /nfs/dbraw/zinc/33/89/48/556338948.db2.gz TWZWZDQMGRXNGP-DQEYMECFSA-N 1 1 497.973 5.198 50 0 JKAAMO O=C(CCCCCCN1CC[N@H+]2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019369590 556346578 /nfs/dbraw/zinc/34/65/78/556346578.db2.gz QDZLSZKODUOQHK-OAQYLSRUSA-N 1 1 470.082 6.200 50 0 JKAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000019370134 556346594 /nfs/dbraw/zinc/34/65/94/556346594.db2.gz MFRKKZWZFLPJOP-FDCUTXSFSA-N 1 1 482.668 5.628 50 0 biogenic JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN([C@@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000019370789 556346601 /nfs/dbraw/zinc/34/66/01/556346601.db2.gz ZBIBZVREOIJCAI-MUUNZHRXSA-N 1 1 462.662 6.842 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732595 556363001 /nfs/dbraw/zinc/36/30/01/556363001.db2.gz KVLMXTDGOPNECH-HHHXNRCGSA-N 1 1 454.054 7.221 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019732645 556363078 /nfs/dbraw/zinc/36/30/78/556363078.db2.gz MSOVWIKZKAWXJO-SSEXGKCCSA-N 1 1 470.012 7.172 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019732645 556363082 /nfs/dbraw/zinc/36/30/82/556363082.db2.gz MSOVWIKZKAWXJO-SSEXGKCCSA-N 1 1 470.012 7.172 50 0 JKAAMO Cc1cc(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)cc1Br ZINC000013137806 556368749 /nfs/dbraw/zinc/36/87/49/556368749.db2.gz DMRZEGCIIFDDIK-SFHVURJKSA-N 1 1 451.430 5.094 50 0 JKAAMO CC1(C)C[C@]2(CCC[N@@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782240 556369493 /nfs/dbraw/zinc/36/94/93/556369493.db2.gz DJNATJHMUNFNFS-NDEPHWFRSA-N 1 1 461.650 5.366 50 0 biogenic JKAAMO COc1ccc(Cl)c2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793517 556373049 /nfs/dbraw/zinc/37/30/49/556373049.db2.gz WPKSLSMUDLRGQG-UHFFFAOYSA-N 1 1 488.031 5.406 50 0 JKAAMO CCc1ccccc1[C@@H](CC(=O)OC)[NH2+][C@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1 ZINC000019808137 556379837 /nfs/dbraw/zinc/37/98/37/556379837.db2.gz SFXLZNCXAGNNJF-XNMGPUDCSA-N 1 1 481.036 5.378 50 0 JKAAMO Cc1ccccc1-c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1 ZINC000019827983 556397346 /nfs/dbraw/zinc/39/73/46/556397346.db2.gz PWGRUMVMUSUBGV-UHFFFAOYSA-N 1 1 497.642 6.758 50 0 JKAAMO C[C@H](CC(=O)N[C@H](C)c1ccccc1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019831362 556398528 /nfs/dbraw/zinc/39/85/28/556398528.db2.gz PACWPPZKIUYVHD-JWQCQUIFSA-N 1 1 483.656 5.214 50 0 JKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622345 556452177 /nfs/dbraw/zinc/45/21/77/556452177.db2.gz WXXJHIHBENPRMY-HXUWFJFHSA-N 1 1 474.786 5.324 50 0 JKAAMO COCc1c(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)sc2cccc(F)c21 ZINC000032753569 556486171 /nfs/dbraw/zinc/48/61/71/556486171.db2.gz FKLAOESPPVBLGJ-UHFFFAOYSA-N 1 1 469.969 5.351 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)Cc2cccs2)cc1 ZINC000032836179 556507269 /nfs/dbraw/zinc/50/72/69/556507269.db2.gz SRXMKAKKYPAOAJ-KRWDZBQOSA-N 1 1 498.446 6.203 50 0 JKAAMO CCN1CC[NH+](CCCNc2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000032916251 556540153 /nfs/dbraw/zinc/54/01/53/556540153.db2.gz GSIBLOLJNYHMQH-UHFFFAOYSA-N 1 1 455.697 5.040 50 0 JKAAMO CC[NH+]1CCN(CCCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000032916216 556540314 /nfs/dbraw/zinc/54/03/14/556540314.db2.gz ITFQNSFJOUNPRU-UHFFFAOYSA-N 1 1 481.735 5.302 50 0 JKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)c(Br)c2)cc1 ZINC000008441436 562939325 /nfs/dbraw/zinc/93/93/25/562939325.db2.gz PFOWSJHGZXFGSF-UHFFFAOYSA-N 1 1 498.417 5.830 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587628 562941252 /nfs/dbraw/zinc/94/12/52/562941252.db2.gz BVSUHJNFENPVAJ-IBGZPJMESA-N 1 1 456.055 6.357 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590241 562942606 /nfs/dbraw/zinc/94/26/06/562942606.db2.gz JCZLGELMCFHOND-OAHLLOKOSA-N 1 1 489.041 5.470 50 0 JKAAMO Cc1cc(O)c([C@@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617157 562948176 /nfs/dbraw/zinc/94/81/76/562948176.db2.gz PKBYHOMOWNFOFW-HHHXNRCGSA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO Cc1cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617161 562948209 /nfs/dbraw/zinc/94/82/09/562948209.db2.gz AOQYRKGIGSNKTC-MHZLTWQESA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO Cc1cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617163 562948227 /nfs/dbraw/zinc/94/82/27/562948227.db2.gz DZEQQQBGKFPVML-MHZLTWQESA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO Cc1cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617160 562948235 /nfs/dbraw/zinc/94/82/35/562948235.db2.gz AOQYRKGIGSNKTC-HHHXNRCGSA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000008619118 562948319 /nfs/dbraw/zinc/94/83/19/562948319.db2.gz CAPMBDOURMKUGE-LJQANCHMSA-N 1 1 468.623 5.207 50 0 JKAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)c2C(N)=O)C1 ZINC000008683912 562951969 /nfs/dbraw/zinc/95/19/69/562951969.db2.gz YSWJIZFYFFDCIY-UHFFFAOYSA-N 1 1 476.627 5.143 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)c2C(N)=O)C1 ZINC000008683912 562951970 /nfs/dbraw/zinc/95/19/70/562951970.db2.gz YSWJIZFYFFDCIY-UHFFFAOYSA-N 1 1 476.627 5.143 50 0 JKAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000055283442 569591508 /nfs/dbraw/zinc/59/15/08/569591508.db2.gz OHMLYCWPMJRLGH-AREMUKBSSA-N 1 1 471.988 5.180 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C ZINC000055343293 569591662 /nfs/dbraw/zinc/59/16/62/569591662.db2.gz FKFRLWIEGDQCMF-QGZVFWFLSA-N 1 1 493.654 6.207 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)cc1Cl ZINC000008710049 569595567 /nfs/dbraw/zinc/59/55/67/569595567.db2.gz LCZQAVYVNVJZFW-BVZFJXPGSA-N 1 1 460.965 5.565 50 0 JKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc(-c2csc(C)n2)s1)c1ccccc1 ZINC000057292098 569595950 /nfs/dbraw/zinc/59/59/50/569595950.db2.gz SGQGBELKVPROSP-DEOSSOPVSA-N 1 1 463.628 6.048 50 0 JKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1ccc(-c2csc(C)n2)s1)c1ccccc1 ZINC000057296892 569596095 /nfs/dbraw/zinc/59/60/95/569596095.db2.gz KKTZQARILTTWSD-DEOSSOPVSA-N 1 1 463.628 5.967 50 0 JKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000057358749 569599343 /nfs/dbraw/zinc/59/93/43/569599343.db2.gz GGOBEZHURAEBFF-VWLOTQADSA-N 1 1 484.040 5.143 50 0 JKAAMO O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000057413338 569599819 /nfs/dbraw/zinc/59/98/19/569599819.db2.gz HAFUMJPFFVMJMT-UHFFFAOYSA-N 1 1 456.977 5.278 50 0 JKAAMO O=P1(N2CC[NH+](Cc3ccccc3)CC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000058158265 569602174 /nfs/dbraw/zinc/60/21/74/569602174.db2.gz ITWDGWHIPQEZQV-UHFFFAOYSA-N 1 1 458.567 6.826 50 0 JKAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000059578195 569607095 /nfs/dbraw/zinc/60/70/95/569607095.db2.gz ZTXNJHIAGYIRIZ-AWEZNQCLSA-N 1 1 463.891 5.104 50 0 JKAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000059578195 569607096 /nfs/dbraw/zinc/60/70/96/569607096.db2.gz ZTXNJHIAGYIRIZ-AWEZNQCLSA-N 1 1 463.891 5.104 50 0 JKAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377480 569608948 /nfs/dbraw/zinc/60/89/48/569608948.db2.gz IPGUQZDKRRNXQU-KRWDZBQOSA-N 1 1 467.963 5.530 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1)Cc1ccccc1 ZINC000032996990 569610969 /nfs/dbraw/zinc/61/09/69/569610969.db2.gz JTKBLPHCXVRHGS-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)Cc1ccccc1F ZINC000064167080 569616388 /nfs/dbraw/zinc/61/63/88/569616388.db2.gz HICUNDFAOXEWDT-UHFFFAOYSA-N 1 1 477.561 5.035 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010525 569616858 /nfs/dbraw/zinc/61/68/58/569616858.db2.gz GQWOSDXTZRWIFW-UHFFFAOYSA-N 1 1 483.591 5.668 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1)Cc1ccccc1 ZINC000033010823 569616923 /nfs/dbraw/zinc/61/69/23/569616923.db2.gz BUELHIAWLUKUPW-UHFFFAOYSA-N 1 1 479.628 5.838 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1)Cc1ccccc1 ZINC000033010813 569616957 /nfs/dbraw/zinc/61/69/57/569616957.db2.gz MRVGAMUVQBFCLQ-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)cc2)CC1 ZINC000064567894 569619923 /nfs/dbraw/zinc/61/99/23/569619923.db2.gz JVUMYAHIIMHOIV-UHFFFAOYSA-N 1 1 494.064 5.439 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1)Cc1ccccc1 ZINC000033025266 569620719 /nfs/dbraw/zinc/62/07/19/569620719.db2.gz NXVHQYHUVAZWPQ-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801525 569631366 /nfs/dbraw/zinc/63/13/66/569631366.db2.gz BPVCNBWBRHYOBP-UHFFFAOYSA-N 1 1 452.562 6.316 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801591 569631418 /nfs/dbraw/zinc/63/14/18/569631418.db2.gz KGPMWNQZBLIQDF-UHFFFAOYSA-N 1 1 472.471 5.028 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801821 569631540 /nfs/dbraw/zinc/63/15/40/569631540.db2.gz POZQCCPGRJUKKA-UHFFFAOYSA-N 1 1 459.575 5.083 50 0 JKAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1 ZINC000064802022 569631766 /nfs/dbraw/zinc/63/17/66/569631766.db2.gz XUUCVAZYYDLIMR-UHFFFAOYSA-N 1 1 467.595 5.083 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064802128 569631783 /nfs/dbraw/zinc/63/17/83/569631783.db2.gz YKXVECUTLIDUQI-UHFFFAOYSA-N 1 1 465.623 5.245 50 0 JKAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1C ZINC000064802191 569631868 /nfs/dbraw/zinc/63/18/68/569631868.db2.gz FDPMUWMNPUBJML-UHFFFAOYSA-N 1 1 495.649 5.699 50 0 JKAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1 ZINC000064802015 569631917 /nfs/dbraw/zinc/63/19/17/569631917.db2.gz NQSHBYNTJQSOLA-UHFFFAOYSA-N 1 1 451.596 5.382 50 0 JKAAMO Clc1ccc2c(c1)[C@@H](N1CC[NH+](CCSc3ccccc3)CC1)Cc1ccccc1S2 ZINC000033878667 569636902 /nfs/dbraw/zinc/63/69/02/569636902.db2.gz QUBVLNJJHYJESI-DEOSSOPVSA-N 1 1 467.103 6.498 50 0 JKAAMO COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000033891529 569637104 /nfs/dbraw/zinc/63/71/04/569637104.db2.gz XVPULKCGCVRRPV-PKTZIBPZSA-N 1 1 465.634 5.598 50 0 biogenic JKAAMO Cc1ccc(-c2ccc(SCc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)nn2)cc1 ZINC000033941921 569639336 /nfs/dbraw/zinc/63/93/36/569639336.db2.gz IRQVCWPZGRXJBJ-QFIPXVFZSA-N 1 1 474.674 5.739 50 0 JKAAMO CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667491 569640463 /nfs/dbraw/zinc/64/04/63/569640463.db2.gz NWMTXOAOIOAFDG-MNNSJKJDSA-N 1 1 474.620 5.903 50 0 JKAAMO CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667491 569640464 /nfs/dbraw/zinc/64/04/64/569640464.db2.gz NWMTXOAOIOAFDG-MNNSJKJDSA-N 1 1 474.620 5.903 50 0 JKAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)CC1 ZINC000034668206 569640567 /nfs/dbraw/zinc/64/05/67/569640567.db2.gz AXSHBYZTGUZTBX-HXUWFJFHSA-N 1 1 464.009 5.162 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669602 569640662 /nfs/dbraw/zinc/64/06/62/569640662.db2.gz YNHMAMILAZCHDB-DHLKQENFSA-N 1 1 470.510 6.114 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669605 569640843 /nfs/dbraw/zinc/64/08/43/569640843.db2.gz YNHMAMILAZCHDB-WIOPSUGQSA-N 1 1 470.510 6.114 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671645 569640958 /nfs/dbraw/zinc/64/09/58/569640958.db2.gz QPSONGGBLIJULB-FQLXRVMXSA-N 1 1 472.629 5.063 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000034671743 569641000 /nfs/dbraw/zinc/64/10/00/569641000.db2.gz WEXYDHIQPYZQSU-ASVWTAOFSA-N 1 1 498.667 5.595 50 0 JKAAMO CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671701 569641021 /nfs/dbraw/zinc/64/10/21/569641021.db2.gz SQTNFYWNXNCNAR-VMPREFPWSA-N 1 1 456.630 5.826 50 0 JKAAMO C[NH+]1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000034675517 569641145 /nfs/dbraw/zinc/64/11/45/569641145.db2.gz VQZVNVKMOFUCGE-UHFFFAOYSA-N 1 1 496.438 5.157 50 0 JKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)cc1 ZINC000034681687 569643318 /nfs/dbraw/zinc/64/33/18/569643318.db2.gz SCZMBMMOELKVTC-UHFFFAOYSA-N 1 1 463.025 5.823 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681651 569643341 /nfs/dbraw/zinc/64/33/41/569643341.db2.gz ODHLTLVOUCKGEI-UHFFFAOYSA-N 1 1 472.486 5.204 50 0 JKAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034681700 569643548 /nfs/dbraw/zinc/64/35/48/569643548.db2.gz YREBMOKHYHJJPY-UHFFFAOYSA-N 1 1 485.415 5.118 50 0 JKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccccc1 ZINC000034681875 569643575 /nfs/dbraw/zinc/64/35/75/569643575.db2.gz PXDKCAMAIWCDHX-VWLOTQADSA-N 1 1 496.577 5.945 50 0 JKAAMO COc1ccccc1C[N@H+]1CCCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cn2)CC1 ZINC000034682111 569643780 /nfs/dbraw/zinc/64/37/80/569643780.db2.gz ZFHTZXIZSNGLLV-UHFFFAOYSA-N 1 1 459.594 5.063 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)C1CCCCC1 ZINC000034681962 569643825 /nfs/dbraw/zinc/64/38/25/569643825.db2.gz ZPFVWMXKQIPRJW-UHFFFAOYSA-N 1 1 460.544 5.332 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)c(OC)c1OC ZINC000034683493 569644273 /nfs/dbraw/zinc/64/42/73/569644273.db2.gz OOZVJLJYIXAHQZ-UHFFFAOYSA-N 1 1 460.574 5.024 50 0 JKAAMO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034683157 569644347 /nfs/dbraw/zinc/64/43/47/569644347.db2.gz FGDBGDKNYJEZAT-UHFFFAOYSA-N 1 1 474.548 6.087 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c(OC)c1 ZINC000034683721 569644463 /nfs/dbraw/zinc/64/44/63/569644463.db2.gz AEBBGPLWKFCEQP-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034683682 569644493 /nfs/dbraw/zinc/64/44/93/569644493.db2.gz KAPTXQCVRKHWRR-UHFFFAOYSA-N 1 1 492.538 5.704 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccsc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683764 569644599 /nfs/dbraw/zinc/64/45/99/569644599.db2.gz GQJMYGIPHQODLR-UHFFFAOYSA-N 1 1 461.052 5.570 50 0 JKAAMO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000034686588 569645404 /nfs/dbraw/zinc/64/54/04/569645404.db2.gz ZSUHCCPUVHXXBS-SSEXGKCCSA-N 1 1 483.011 6.505 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCC1CC1 ZINC000034686585 569645462 /nfs/dbraw/zinc/64/54/62/569645462.db2.gz JPKDZDYEVYZUDQ-XZWHSSHBSA-N 1 1 468.641 5.826 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000034695884 569647561 /nfs/dbraw/zinc/64/75/61/569647561.db2.gz IDHSWRAXURQYND-YWEHKCAJSA-N 1 1 451.545 5.797 50 0 JKAAMO Cc1ccc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000034697827 569647706 /nfs/dbraw/zinc/64/77/06/569647706.db2.gz WMRSJTJRQMPTAT-WIOPSUGQSA-N 1 1 458.568 6.134 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698877 569647928 /nfs/dbraw/zinc/64/79/28/569647928.db2.gz WTEHJWYQSSVQEZ-JOMNFKBKSA-N 1 1 484.659 6.825 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698781 569647941 /nfs/dbraw/zinc/64/79/41/569647941.db2.gz XKJBOOBHGDFFRS-NAKRPHOHSA-N 1 1 461.049 6.415 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C)n2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698904 569647975 /nfs/dbraw/zinc/64/79/75/569647975.db2.gz HYBPGDRJOJZFDT-LEAFIULHSA-N 1 1 471.645 5.413 50 0 JKAAMO COc1ccccc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccccc2)[C@@H](c2ccccc2OC)C1 ZINC000034698896 569647982 /nfs/dbraw/zinc/64/79/82/569647982.db2.gz PCVMLOOBHWLPSI-XCZPVHLTSA-N 1 1 486.656 5.718 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698867 569648024 /nfs/dbraw/zinc/64/80/24/569648024.db2.gz WKPVCXXRLAMWQM-OFSOJUDTSA-N 1 1 484.659 6.825 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698826 569648069 /nfs/dbraw/zinc/64/80/69/569648069.db2.gz ZMFQLTWWTZAALK-FUFSCUOVSA-N 1 1 474.620 6.418 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)s2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698907 569648152 /nfs/dbraw/zinc/64/81/52/569648152.db2.gz QNMGOQHXBZGOJY-RPLLCQBOSA-N 1 1 476.686 6.079 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000034699046 569648205 /nfs/dbraw/zinc/64/82/05/569648205.db2.gz GVYLDOMJLRWJFL-AHKZPQOWSA-N 1 1 490.619 5.554 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698924 569648293 /nfs/dbraw/zinc/64/82/93/569648293.db2.gz FTUPNUGTVZLNJF-RPLLCQBOSA-N 1 1 480.649 5.910 50 0 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CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1ccc(CC)cc1)C(C)C ZINC000034836859 569666484 /nfs/dbraw/zinc/66/64/84/569666484.db2.gz TYQHXYYXJDZEQD-UHFFFAOYSA-N 1 1 473.709 5.550 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1ccc(CC)cc1)C(C)C ZINC000034836859 569666485 /nfs/dbraw/zinc/66/64/85/569666485.db2.gz TYQHXYYXJDZEQD-UHFFFAOYSA-N 1 1 473.709 5.550 50 0 JKAAMO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)[C@H]1c1cccc(Cl)c1 ZINC000034927686 569673202 /nfs/dbraw/zinc/67/32/02/569673202.db2.gz OIQJEPXUSCFJHB-GVXSCFBNSA-N 1 1 468.041 5.021 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1)Cc1ccccc1 ZINC000065330835 569674991 /nfs/dbraw/zinc/67/49/91/569674991.db2.gz JAYIZZXBRRPCHY-UHFFFAOYSA-N 1 1 453.995 5.363 50 0 JKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2Cc4ccccc4C[N@H+]2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000035369359 569682837 /nfs/dbraw/zinc/68/28/37/569682837.db2.gz IHCCNYSQNVISOB-ZGFBMJKBSA-N 1 1 487.397 5.045 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]3CCC1 ZINC000068705078 569691722 /nfs/dbraw/zinc/69/17/22/569691722.db2.gz JMSIAVVTCPGHIE-JGCGQSQUSA-N 1 1 468.644 7.635 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]3CCC1 ZINC000068705078 569691724 /nfs/dbraw/zinc/69/17/24/569691724.db2.gz JMSIAVVTCPGHIE-JGCGQSQUSA-N 1 1 468.644 7.635 50 0 JKAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)c1 ZINC000068767370 569692035 /nfs/dbraw/zinc/69/20/35/569692035.db2.gz XFZQRPNACIDVBT-DEOSSOPVSA-N 1 1 491.657 5.701 50 0 JKAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)c1 ZINC000068767370 569692036 /nfs/dbraw/zinc/69/20/36/569692036.db2.gz XFZQRPNACIDVBT-DEOSSOPVSA-N 1 1 491.657 5.701 50 0 JKAAMO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000069653694 569693619 /nfs/dbraw/zinc/69/36/19/569693619.db2.gz DLHFYUFBZLQSKR-QGZVFWFLSA-N 1 1 461.418 5.286 50 0 JKAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427017 569694019 /nfs/dbraw/zinc/69/40/19/569694019.db2.gz UTUDMSXIXFIYSG-DEOSSOPVSA-N 1 1 499.080 5.221 50 0 JKAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427017 569694020 /nfs/dbraw/zinc/69/40/20/569694020.db2.gz UTUDMSXIXFIYSG-DEOSSOPVSA-N 1 1 499.080 5.221 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427033 569694186 /nfs/dbraw/zinc/69/41/86/569694186.db2.gz APNVMHPVLPAPBW-RUZDIDTESA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427033 569694187 /nfs/dbraw/zinc/69/41/87/569694187.db2.gz APNVMHPVLPAPBW-RUZDIDTESA-N 1 1 495.092 6.127 50 0 JKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)c1C ZINC000035427078 569694216 /nfs/dbraw/zinc/69/42/16/569694216.db2.gz DRHHNKPPXUAHIL-HHHXNRCGSA-N 1 1 482.653 6.281 50 0 JKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)c1C ZINC000035427078 569694217 /nfs/dbraw/zinc/69/42/17/569694217.db2.gz DRHHNKPPXUAHIL-HHHXNRCGSA-N 1 1 482.653 6.281 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427039 569694228 /nfs/dbraw/zinc/69/42/28/569694228.db2.gz KOSWCZYRPBPUTQ-VWLOTQADSA-N 1 1 472.589 5.803 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427039 569694229 /nfs/dbraw/zinc/69/42/29/569694229.db2.gz KOSWCZYRPBPUTQ-VWLOTQADSA-N 1 1 472.589 5.803 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427390 569694240 /nfs/dbraw/zinc/69/42/40/569694240.db2.gz NAIUCINKIONNDB-HHHXNRCGSA-N 1 1 482.653 6.362 50 0 JKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427062 569694258 /nfs/dbraw/zinc/69/42/58/569694258.db2.gz FIRUAKBEWBFWPF-SANMLTNESA-N 1 1 484.625 5.672 50 0 JKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427062 569694259 /nfs/dbraw/zinc/69/42/59/569694259.db2.gz FIRUAKBEWBFWPF-SANMLTNESA-N 1 1 484.625 5.672 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427441 569694390 /nfs/dbraw/zinc/69/43/90/569694390.db2.gz ULFDVCGUAGWVTI-SANMLTNESA-N 1 1 486.616 6.193 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427433 569694394 /nfs/dbraw/zinc/69/43/94/569694394.db2.gz HNLAVUQRQDAMNE-MHZLTWQESA-N 1 1 482.653 6.362 50 0 JKAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)CC1 ZINC000072273304 569701500 /nfs/dbraw/zinc/70/15/00/569701500.db2.gz MHAQLQSLZULJSZ-UHFFFAOYSA-N 1 1 472.655 5.284 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2)Cc1ccccc1 ZINC000035534869 569701554 /nfs/dbraw/zinc/70/15/54/569701554.db2.gz BFKVJWUWLFITQX-UHFFFAOYSA-N 1 1 469.054 5.377 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000072332786 569703112 /nfs/dbraw/zinc/70/31/12/569703112.db2.gz KIIPWXWTCHRTLY-PUZWTLIVSA-N 1 1 479.661 5.980 50 0 biogenic JKAAMO Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(=O)oc12)CCCC3 ZINC000079188318 569707022 /nfs/dbraw/zinc/70/70/22/569707022.db2.gz VDLYPUNKADCWHI-NBGIEHNGSA-N 1 1 490.644 5.348 50 0 biogenic JKAAMO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079188573 569707075 /nfs/dbraw/zinc/70/70/75/569707075.db2.gz AILNQBVJVFAWKW-NBGIEHNGSA-N 1 1 492.660 5.767 50 0 biogenic JKAAMO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)o1 ZINC000035706627 569707495 /nfs/dbraw/zinc/70/74/95/569707495.db2.gz PMWIBHIXJABORP-UHFFFAOYSA-N 1 1 496.626 7.273 50 0 JKAAMO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[N@H+](Cc2ccccc2F)C2CCCCC2)o1 ZINC000035706627 569707497 /nfs/dbraw/zinc/70/74/97/569707497.db2.gz PMWIBHIXJABORP-UHFFFAOYSA-N 1 1 496.626 7.273 50 0 JKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084001971 569708859 /nfs/dbraw/zinc/70/88/59/569708859.db2.gz BSFZEHVOBUVXQL-STQMWFEESA-N 1 1 486.325 5.262 50 0 JKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084001971 569708860 /nfs/dbraw/zinc/70/88/60/569708860.db2.gz BSFZEHVOBUVXQL-STQMWFEESA-N 1 1 486.325 5.262 50 0 JKAAMO O=C(CSc1ccc(-c2ccccc2)nn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035746580 569709485 /nfs/dbraw/zinc/70/94/85/569709485.db2.gz HWIUCEVCBMZWPA-UHFFFAOYSA-N 1 1 480.637 5.170 50 0 JKAAMO Clc1ccc(C(c2ccc(Cl)cc2)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000085389533 569709980 /nfs/dbraw/zinc/70/99/80/569709980.db2.gz QHFZXDCJVSRIJJ-UHFFFAOYSA-N 1 1 450.413 6.382 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(F)cc2)CC1 ZINC000035768776 569710158 /nfs/dbraw/zinc/71/01/58/569710158.db2.gz ZJPJYXGXUGRCRA-MHZLTWQESA-N 1 1 469.604 5.515 50 0 JKAAMO Clc1ccc(Cc2nsc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000035771001 569710737 /nfs/dbraw/zinc/71/07/37/569710737.db2.gz XCZJFEYCSCTOLC-UHFFFAOYSA-N 1 1 461.034 5.694 50 0 JKAAMO COc1cccc(Cn2cccc2C[N@@H+](C[C@H](O)COCc2ccco2)CC2CCCCC2)c1 ZINC000035840866 569713993 /nfs/dbraw/zinc/71/39/93/569713993.db2.gz NMNVSEUYZRJBBV-SANMLTNESA-N 1 1 466.622 5.098 50 0 JKAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035840804 569713999 /nfs/dbraw/zinc/71/39/99/569713999.db2.gz HNUYMRTULHBEBQ-SANMLTNESA-N 1 1 466.597 5.259 50 0 JKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)C2CCCCC2)c1 ZINC000035841158 569714004 /nfs/dbraw/zinc/71/40/04/569714004.db2.gz IEGBMTPGXMHUGV-UHFFFAOYSA-N 1 1 456.552 6.899 50 0 JKAAMO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035841155 569714021 /nfs/dbraw/zinc/71/40/21/569714021.db2.gz ZGOFOMDFKJBFHG-UHFFFAOYSA-N 1 1 458.524 6.000 50 0 JKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CC ZINC000035842628 569714142 /nfs/dbraw/zinc/71/41/42/569714142.db2.gz BMFMQWJVDVDFOY-HHHXNRCGSA-N 1 1 491.720 5.910 50 0 JKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccco1 ZINC000035842722 569714163 /nfs/dbraw/zinc/71/41/63/569714163.db2.gz STAUXJCCSUUSDF-UHFFFAOYSA-N 1 1 478.036 6.144 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccco1 ZINC000035842722 569714165 /nfs/dbraw/zinc/71/41/65/569714165.db2.gz STAUXJCCSUUSDF-UHFFFAOYSA-N 1 1 478.036 6.144 50 0 JKAAMO CC(C)[C@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842642 569714225 /nfs/dbraw/zinc/71/42/25/569714225.db2.gz OQBKLQBOZCMYMW-GDLZYMKVSA-N 1 1 491.720 5.764 50 0 JKAAMO CC(C)(C)c1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000035842753 569714241 /nfs/dbraw/zinc/71/42/41/569714241.db2.gz OBPBPASOJWPTFI-UHFFFAOYSA-N 1 1 493.695 6.701 50 0 JKAAMO CC(C)(C)c1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000035842753 569714243 /nfs/dbraw/zinc/71/42/43/569714243.db2.gz OBPBPASOJWPTFI-UHFFFAOYSA-N 1 1 493.695 6.701 50 0 JKAAMO Fc1ccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)cc1F ZINC000035844703 569715225 /nfs/dbraw/zinc/71/52/25/569715225.db2.gz MFBVYOIUUMYYFA-UHFFFAOYSA-N 1 1 476.533 7.416 50 0 JKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844698 569715272 /nfs/dbraw/zinc/71/52/72/569715272.db2.gz TYTWVPDEUOWSPB-SFHVURJKSA-N 1 1 450.495 6.880 50 0 JKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844783 569715326 /nfs/dbraw/zinc/71/53/26/569715326.db2.gz GTBSBYQPZYIBHC-OAQYLSRUSA-N 1 1 453.026 6.113 50 0 JKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844806 569715385 /nfs/dbraw/zinc/71/53/85/569715385.db2.gz KYDRCYGOWQBAKT-QFIPXVFZSA-N 1 1 476.617 5.247 50 0 JKAAMO COCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844863 569715409 /nfs/dbraw/zinc/71/54/09/569715409.db2.gz RROWKGKMMVDBSR-UHFFFAOYSA-N 1 1 490.688 5.996 50 0 JKAAMO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844803 569715415 /nfs/dbraw/zinc/71/54/15/569715415.db2.gz ZSQJFALNMZIOBG-HXUWFJFHSA-N 1 1 454.561 5.738 50 0 JKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844803 569715416 /nfs/dbraw/zinc/71/54/16/569715416.db2.gz ZSQJFALNMZIOBG-HXUWFJFHSA-N 1 1 454.561 5.738 50 0 JKAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000085879771 569716501 /nfs/dbraw/zinc/71/65/01/569716501.db2.gz CXIJAFUMCMCPCD-LAUBAEHRSA-N 1 1 460.405 5.240 50 0 biogenic JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000035851802 569716531 /nfs/dbraw/zinc/71/65/31/569716531.db2.gz IGKNYERIRUINBP-USOMCTOXSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000035851802 569716532 /nfs/dbraw/zinc/71/65/32/569716532.db2.gz IGKNYERIRUINBP-USOMCTOXSA-N 1 1 474.601 5.164 50 0 JKAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000086048477 569716782 /nfs/dbraw/zinc/71/67/82/569716782.db2.gz NNLFBEZSJWUTCN-UHFFFAOYSA-N 1 1 455.002 5.412 50 0 JKAAMO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871433 569718794 /nfs/dbraw/zinc/71/87/94/569718794.db2.gz XRYZNNMREQSSSX-AZGAKELHSA-N 1 1 497.536 5.024 50 0 JKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089526083 569718860 /nfs/dbraw/zinc/71/88/60/569718860.db2.gz IQRMRIJKUZIIGN-SFTDATJTSA-N 1 1 493.608 5.454 50 0 JKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089526083 569718861 /nfs/dbraw/zinc/71/88/61/569718861.db2.gz IQRMRIJKUZIIGN-SFTDATJTSA-N 1 1 493.608 5.454 50 0 JKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089526080 569718870 /nfs/dbraw/zinc/71/88/70/569718870.db2.gz IQRMRIJKUZIIGN-RTWAWAEBSA-N 1 1 493.608 5.454 50 0 JKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089526080 569718871 /nfs/dbraw/zinc/71/88/71/569718871.db2.gz IQRMRIJKUZIIGN-RTWAWAEBSA-N 1 1 493.608 5.454 50 0 JKAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871737 569718979 /nfs/dbraw/zinc/71/89/79/569718979.db2.gz QAIYRSQDAWAHMC-TUDQOENJSA-N 1 1 490.047 5.089 50 0 JKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872360 569719355 /nfs/dbraw/zinc/71/93/55/569719355.db2.gz DLLFJRVEDGOINX-HHHXNRCGSA-N 1 1 486.059 6.181 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1 ZINC000035887278 569720917 /nfs/dbraw/zinc/72/09/17/569720917.db2.gz IQHOIKAZIHEGKI-UHFFFAOYSA-N 1 1 468.576 5.232 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1 ZINC000035887278 569720918 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CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341955 569765031 /nfs/dbraw/zinc/76/50/31/569765031.db2.gz XGQXMGZBDANYLB-QHCPKHFHSA-N 1 1 472.029 5.482 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341960 569765094 /nfs/dbraw/zinc/76/50/94/569765094.db2.gz LIZDFQPBXAJDLF-DEOSSOPVSA-N 1 1 481.637 5.226 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036341987 569765115 /nfs/dbraw/zinc/76/51/15/569765115.db2.gz BSGUTWPMMGAERR-URXFXBBRSA-N 1 1 495.664 5.758 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@H](C)CC ZINC000036342018 569765118 /nfs/dbraw/zinc/76/51/18/569765118.db2.gz DJXZBNVSSCHMDO-KNQAVFIVSA-N 1 1 455.574 5.110 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341956 569765153 /nfs/dbraw/zinc/76/51/53/569765153.db2.gz QAWZXAPMEZEBPD-DEOSSOPVSA-N 1 1 465.638 5.991 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036342061 569765331 /nfs/dbraw/zinc/76/53/31/569765331.db2.gz BGJFZLNKUAQODU-HSZRJFAPSA-N 1 1 469.601 5.499 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342069 569765345 /nfs/dbraw/zinc/76/53/45/569765345.db2.gz QXAQDCYNPIVUGC-OFVILXPXSA-N 1 1 483.628 5.890 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036342117 569765512 /nfs/dbraw/zinc/76/55/12/569765512.db2.gz BXGBBLKYONMTOU-RUZDIDTESA-N 1 1 481.612 5.358 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036342113 569765524 /nfs/dbraw/zinc/76/55/24/569765524.db2.gz KGASQGAHLSGMTM-MUUNZHRXSA-N 1 1 471.576 6.058 50 0 JKAAMO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343605 569766489 /nfs/dbraw/zinc/76/64/89/569766489.db2.gz NZEZSQIAPHJHFG-SSEXGKCCSA-N 1 1 480.656 5.107 50 0 JKAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344051 569766741 /nfs/dbraw/zinc/76/67/41/569766741.db2.gz VTFSQRSVEZOOEW-AREMUKBSSA-N 1 1 479.621 5.045 50 0 JKAAMO COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344219 569766894 /nfs/dbraw/zinc/76/68/94/569766894.db2.gz PMQBNPMAMCSIID-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344219 569766895 /nfs/dbraw/zinc/76/68/95/569766895.db2.gz PMQBNPMAMCSIID-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344218 569766956 /nfs/dbraw/zinc/76/69/56/569766956.db2.gz PMQBNPMAMCSIID-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344218 569766958 /nfs/dbraw/zinc/76/69/58/569766958.db2.gz PMQBNPMAMCSIID-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344625 569767230 /nfs/dbraw/zinc/76/72/30/569767230.db2.gz OUBDSXIYWLMJPE-SSEXGKCCSA-N 1 1 480.656 5.107 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345042 569767569 /nfs/dbraw/zinc/76/75/69/569767569.db2.gz ALNBSGDTMVXGCP-MUUNZHRXSA-N 1 1 487.047 5.144 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036345858 569768377 /nfs/dbraw/zinc/76/83/77/569768377.db2.gz AVNXGZZPIFGHCZ-XMMPIXPASA-N 1 1 451.611 5.278 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036345866 569768449 /nfs/dbraw/zinc/76/84/49/569768449.db2.gz LSWSWNUHWDGRJB-XMMPIXPASA-N 1 1 465.638 5.668 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036345842 569768459 /nfs/dbraw/zinc/76/84/59/569768459.db2.gz XLEHWMAEYDICLC-RUZDIDTESA-N 1 1 479.665 5.915 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036345888 569768470 /nfs/dbraw/zinc/76/84/70/569768470.db2.gz UOZRYDZYPQNHHO-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C1CC1 ZINC000036345888 569768472 /nfs/dbraw/zinc/76/84/72/569768472.db2.gz UOZRYDZYPQNHHO-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345847 569768515 /nfs/dbraw/zinc/76/85/15/569768515.db2.gz DSZMAKIPDMSNOU-XMMPIXPASA-N 1 1 451.611 5.137 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036345945 569768538 /nfs/dbraw/zinc/76/85/38/569768538.db2.gz YYCWZVBMHRUYDZ-SANMLTNESA-N 1 1 477.649 5.527 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COc1ccccc1 ZINC000036345910 569768566 /nfs/dbraw/zinc/76/85/66/569768566.db2.gz VNIVBPCUODSZHF-AREMUKBSSA-N 1 1 485.628 5.933 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036345972 569768569 /nfs/dbraw/zinc/76/85/69/569768569.db2.gz WFKZUFJFXFWWJQ-HSZRJFAPSA-N 1 1 483.628 5.746 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036345914 569768581 /nfs/dbraw/zinc/76/85/81/569768581.db2.gz YGDPULJXMZICFJ-XMMPIXPASA-N 1 1 451.611 5.279 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036346052 569768793 /nfs/dbraw/zinc/76/87/93/569768793.db2.gz DRQZEXFBDUFOHD-JOCHJYFZSA-N 1 1 455.574 5.110 50 0 JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@H+](C)CC3)OCO2 ZINC000100757884 569768972 /nfs/dbraw/zinc/76/89/72/569768972.db2.gz NHRVEPPXQUAVEI-ODIGAKIWSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@@H+](C)CC3)OCO2 ZINC000100757884 569768974 /nfs/dbraw/zinc/76/89/74/569768974.db2.gz NHRVEPPXQUAVEI-ODIGAKIWSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036346119 569769038 /nfs/dbraw/zinc/76/90/38/569769038.db2.gz KOEYAMGONCQQQA-SANMLTNESA-N 1 1 479.665 5.773 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036346120 569769041 /nfs/dbraw/zinc/76/90/41/569769041.db2.gz KOEYAMGONCQQQA-AREMUKBSSA-N 1 1 479.665 5.773 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036346146 569769089 /nfs/dbraw/zinc/76/90/89/569769089.db2.gz PNQWXGFEIDCQEO-MHZLTWQESA-N 1 1 485.628 5.333 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036346146 569769090 /nfs/dbraw/zinc/76/90/90/569769090.db2.gz PNQWXGFEIDCQEO-MHZLTWQESA-N 1 1 485.628 5.333 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036346197 569769176 /nfs/dbraw/zinc/76/91/76/569769176.db2.gz ZSMGAMMDFUCIIM-BDYUSTAISA-N 1 1 493.648 5.048 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036346197 569769177 /nfs/dbraw/zinc/76/91/77/569769177.db2.gz ZSMGAMMDFUCIIM-BDYUSTAISA-N 1 1 493.648 5.048 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346184 569769197 /nfs/dbraw/zinc/76/91/97/569769197.db2.gz APWGJNYOCUHSHT-DHLKQENFSA-N 1 1 465.638 5.668 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036346215 569769232 /nfs/dbraw/zinc/76/92/32/569769232.db2.gz ZULIJGHCWMPUKZ-DEOSSOPVSA-N 1 1 469.601 5.356 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346241 569769337 /nfs/dbraw/zinc/76/93/37/569769337.db2.gz QJHIWWQUFCTFJQ-QHCPKHFHSA-N 1 1 455.574 5.112 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346241 569769338 /nfs/dbraw/zinc/76/93/38/569769338.db2.gz QJHIWWQUFCTFJQ-QHCPKHFHSA-N 1 1 455.574 5.112 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036346216 569769368 /nfs/dbraw/zinc/76/93/68/569769368.db2.gz ZULIJGHCWMPUKZ-XMMPIXPASA-N 1 1 469.601 5.356 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346289 569769393 /nfs/dbraw/zinc/76/93/93/569769393.db2.gz HZJHNYCMBLAKDT-QHCPKHFHSA-N 1 1 455.574 5.108 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@H](C)CC ZINC000036346325 569769485 /nfs/dbraw/zinc/76/94/85/569769485.db2.gz WHASPQWBTNRBQN-XXBNENTESA-N 1 1 455.574 5.110 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346416 569769619 /nfs/dbraw/zinc/76/96/19/569769619.db2.gz AKBWHOUEHHGDIT-XMMPIXPASA-N 1 1 451.586 5.875 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346373 569769643 /nfs/dbraw/zinc/76/96/43/569769643.db2.gz RPNMVDJBOOWKOF-HSZRJFAPSA-N 1 1 455.574 5.110 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346379 569769758 /nfs/dbraw/zinc/76/97/58/569769758.db2.gz GQSYXXGXEGPZBG-XMMPIXPASA-N 1 1 469.601 5.358 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346527 569769868 /nfs/dbraw/zinc/76/98/68/569769868.db2.gz CVHXEMMEWZEYQF-RUZDIDTESA-N 1 1 479.665 5.923 50 0 JKAAMO COC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346503 569769871 /nfs/dbraw/zinc/76/98/71/569769871.db2.gz UUEWOVWFWXVSOK-QHCPKHFHSA-N 1 1 479.621 5.016 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346528 569769886 /nfs/dbraw/zinc/76/98/86/569769886.db2.gz CVHXEMMEWZEYQF-VWLOTQADSA-N 1 1 479.665 5.923 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)COCC ZINC000036346500 569769969 /nfs/dbraw/zinc/76/99/69/569769969.db2.gz BPBAEEUDTFFBRD-HSZRJFAPSA-N 1 1 481.637 5.406 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346577 569770038 /nfs/dbraw/zinc/77/00/38/569770038.db2.gz ANFMVUHMYASPRG-QFIPXVFZSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346577 569770040 /nfs/dbraw/zinc/77/00/40/569770040.db2.gz ANFMVUHMYASPRG-QFIPXVFZSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346556 569770044 /nfs/dbraw/zinc/77/00/44/569770044.db2.gz GDGIMGLQZDPWDV-SANMLTNESA-N 1 1 491.676 5.925 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346535 569770069 /nfs/dbraw/zinc/77/00/69/569770069.db2.gz MXRPGYLGWBFGDK-NDEPHWFRSA-N 1 1 495.667 6.351 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346555 569770139 /nfs/dbraw/zinc/77/01/39/569770139.db2.gz GDGIMGLQZDPWDV-AREMUKBSSA-N 1 1 491.676 5.925 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346650 569770440 /nfs/dbraw/zinc/77/04/40/569770440.db2.gz DQSMENXEBDOPPS-DEOSSOPVSA-N 1 1 487.591 5.639 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346706 569770598 /nfs/dbraw/zinc/77/05/98/569770598.db2.gz PQUQJLKVCIRQGI-HSZRJFAPSA-N 1 1 487.591 5.638 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346674 569770632 /nfs/dbraw/zinc/77/06/32/569770632.db2.gz CZZONSRXLHMAHL-HSZRJFAPSA-N 1 1 457.565 6.014 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346705 569770706 /nfs/dbraw/zinc/77/07/06/569770706.db2.gz PQUQJLKVCIRQGI-QHCPKHFHSA-N 1 1 487.591 5.638 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346808 569770840 /nfs/dbraw/zinc/77/08/40/569770840.db2.gz PESJCFIAQALJKX-SANMLTNESA-N 1 1 485.628 5.587 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346807 569770885 /nfs/dbraw/zinc/77/08/85/569770885.db2.gz PESJCFIAQALJKX-AREMUKBSSA-N 1 1 485.628 5.587 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346783 569770894 /nfs/dbraw/zinc/77/08/94/569770894.db2.gz DUJGDRFKZCMTCJ-DEOSSOPVSA-N 1 1 479.665 5.822 50 0 JKAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347899 569771020 /nfs/dbraw/zinc/77/10/20/569771020.db2.gz JBGYAXOHCZQTTQ-HHHXNRCGSA-N 1 1 462.515 7.295 50 0 JKAAMO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347899 569771021 /nfs/dbraw/zinc/77/10/21/569771021.db2.gz JBGYAXOHCZQTTQ-HHHXNRCGSA-N 1 1 462.515 7.295 50 0 JKAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1OC ZINC000036403761 569775485 /nfs/dbraw/zinc/77/54/85/569775485.db2.gz GOXXNSYMZODYIK-XZOQPEGZSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1OC ZINC000036403761 569775486 /nfs/dbraw/zinc/77/54/86/569775486.db2.gz GOXXNSYMZODYIK-XZOQPEGZSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccccc1[C@@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[NH+](C)C ZINC000036684528 569779931 /nfs/dbraw/zinc/77/99/31/569779931.db2.gz RIROQYMMODQDLS-XMMPIXPASA-N 1 1 469.585 5.369 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)Cc1ccccc1 ZINC000037378397 569784595 /nfs/dbraw/zinc/78/45/95/569784595.db2.gz VBNHKUSTWVSJDR-UHFFFAOYSA-N 1 1 496.630 5.549 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)Cc1ccccc1 ZINC000037378397 569784597 /nfs/dbraw/zinc/78/45/97/569784597.db2.gz VBNHKUSTWVSJDR-UHFFFAOYSA-N 1 1 496.630 5.549 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)NC(C)(C)C ZINC000037378543 569784608 /nfs/dbraw/zinc/78/46/08/569784608.db2.gz CISRFLXUUKBJGL-UHFFFAOYSA-N 1 1 477.628 5.288 50 0 JKAAMO CC(C)N(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)NC(C)(C)C ZINC000037378543 569784610 /nfs/dbraw/zinc/78/46/10/569784610.db2.gz CISRFLXUUKBJGL-UHFFFAOYSA-N 1 1 477.628 5.288 50 0 JKAAMO CCC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037396717 569786569 /nfs/dbraw/zinc/78/65/69/569786569.db2.gz YWGZWJBZZUNOGN-QHCPKHFHSA-N 1 1 473.448 5.439 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c1 ZINC000037524006 569793022 /nfs/dbraw/zinc/79/30/22/569793022.db2.gz LLKDNABYKWXPPT-PQHLKRTFSA-N 1 1 470.657 6.018 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000037524141 569793061 /nfs/dbraw/zinc/79/30/61/569793061.db2.gz ZQYQUWQCESTEPU-XTEPFMGCSA-N 1 1 491.075 6.363 50 0 JKAAMO CCc1cc([C@@H](c2cccc(Br)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545937 569802562 /nfs/dbraw/zinc/80/25/62/569802562.db2.gz VQQXWJGIAQGNRZ-OAQYLSRUSA-N 1 1 473.436 6.494 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000038546342 569802923 /nfs/dbraw/zinc/80/29/23/569802923.db2.gz WTQVKNPCLQFYFZ-QFIPXVFZSA-N 1 1 452.576 5.266 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(OC)cc2)CC1 ZINC000038546345 569802985 /nfs/dbraw/zinc/80/29/85/569802985.db2.gz KPKPXKGUPFBWMG-HSZRJFAPSA-N 1 1 482.602 5.275 50 0 JKAAMO CCc1cc([C@H](c2cccc(Br)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546471 569803031 /nfs/dbraw/zinc/80/30/31/569803031.db2.gz KYUUTFCDQKIMFK-NRFANRHFSA-N 1 1 488.451 5.255 50 0 JKAAMO CCc1cc([C@@H](c2ccc(Br)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546464 569803038 /nfs/dbraw/zinc/80/30/38/569803038.db2.gz LXAHFYDYHCNNFU-OAQYLSRUSA-N 1 1 488.451 5.255 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccs2)c2cc(C)sc2NC(=O)c2ccco2)CC1 ZINC000038546378 569803071 /nfs/dbraw/zinc/80/30/71/569803071.db2.gz JLBBKYXAECFMNI-FQEVSTJZSA-N 1 1 458.605 5.328 50 0 JKAAMO CCc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546480 569803089 /nfs/dbraw/zinc/80/30/89/569803089.db2.gz KOFLTSXKKKPRMU-OAQYLSRUSA-N 1 1 478.445 5.799 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccs2)c2cc(CC)sc2NC(=O)c2ccco2)CC1 ZINC000038546387 569803108 /nfs/dbraw/zinc/80/31/08/569803108.db2.gz FPBXKOYCHLQVKJ-NRFANRHFSA-N 1 1 472.632 5.582 50 0 JKAAMO CCc1cc([C@@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546468 569803126 /nfs/dbraw/zinc/80/31/26/569803126.db2.gz NOYLALWOKOUKRL-OAQYLSRUSA-N 1 1 475.561 5.094 50 0 JKAAMO CCc1cc([C@@H](c2cccc(Br)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546470 569803134 /nfs/dbraw/zinc/80/31/34/569803134.db2.gz KYUUTFCDQKIMFK-OAQYLSRUSA-N 1 1 488.451 5.255 50 0 JKAAMO CCc1cc([C@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546469 569803138 /nfs/dbraw/zinc/80/31/38/569803138.db2.gz NOYLALWOKOUKRL-NRFANRHFSA-N 1 1 475.561 5.094 50 0 JKAAMO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546751 569803554 /nfs/dbraw/zinc/80/35/54/569803554.db2.gz ZYIRCKIEXVRQCT-QHCPKHFHSA-N 1 1 469.676 5.414 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546730 569803580 /nfs/dbraw/zinc/80/35/80/569803580.db2.gz FKSRFDXULJHPJK-OAQYLSRUSA-N 1 1 460.068 5.669 50 0 JKAAMO Cc1cccc(N[C@@H](c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c2ccc3c(c2)OCO3)[nH+]1 ZINC000038547491 569803819 /nfs/dbraw/zinc/80/38/19/569803819.db2.gz SROHTCHNCGJNST-HHHXNRCGSA-N 1 1 497.620 6.513 50 0 JKAAMO COc1ccccc1[C@@H](Nc1cccc(C)[nH+]1)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000038547303 569803945 /nfs/dbraw/zinc/80/39/45/569803945.db2.gz MXBYEVPSMNOXBW-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO Cc1cccc(N[C@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)[nH+]1 ZINC000038547503 569804001 /nfs/dbraw/zinc/80/40/01/569804001.db2.gz ZNKSXCPBUCRQJJ-XMMPIXPASA-N 1 1 459.640 6.846 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c1 ZINC000038547497 569804009 /nfs/dbraw/zinc/80/40/09/569804009.db2.gz HXGCGLVMNTZBIX-DEOSSOPVSA-N 1 1 459.640 6.846 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(Br)cc2)c1C ZINC000038547651 569804126 /nfs/dbraw/zinc/80/41/26/569804126.db2.gz MORATWWZTOVMEK-QFIPXVFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c1C ZINC000038547622 569804146 /nfs/dbraw/zinc/80/41/46/569804146.db2.gz JPLSPZDYBFUZLE-QFIPXVFZSA-N 1 1 485.531 7.134 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C(C)C)cc2)c1C ZINC000038547657 569804212 /nfs/dbraw/zinc/80/42/12/569804212.db2.gz UNGUWNPBNPCVJB-VWLOTQADSA-N 1 1 459.615 7.239 50 0 JKAAMO CSc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547642 569804216 /nfs/dbraw/zinc/80/42/16/569804216.db2.gz VQVHPMDLIUYHFD-QHCPKHFHSA-N 1 1 463.628 6.837 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547749 569804339 /nfs/dbraw/zinc/80/43/39/569804339.db2.gz AVCFFZNBKXQRJL-QFIPXVFZSA-N 1 1 451.979 6.714 50 0 JKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1OC ZINC000038547669 569804367 /nfs/dbraw/zinc/80/43/67/569804367.db2.gz XRQXRXJHIHGQLQ-DEOSSOPVSA-N 1 1 477.586 6.132 50 0 JKAAMO COc1ccc(OC)c([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547715 569804371 /nfs/dbraw/zinc/80/43/71/569804371.db2.gz DHACSLVNGRPHDL-DEOSSOPVSA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547837 569804377 /nfs/dbraw/zinc/80/43/77/569804377.db2.gz JJLRQGCRCIBRIH-QFIPXVFZSA-N 1 1 485.531 7.080 50 0 JKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1OC ZINC000038547667 569804383 /nfs/dbraw/zinc/80/43/83/569804383.db2.gz JDZYIDMWHDIOLY-DEOSSOPVSA-N 1 1 477.586 6.132 50 0 JKAAMO COc1ccc(OC)c([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547717 569804391 /nfs/dbraw/zinc/80/43/91/569804391.db2.gz DHACSLVNGRPHDL-XMMPIXPASA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(Br)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547886 569804399 /nfs/dbraw/zinc/80/43/99/569804399.db2.gz YRBAHSYTZYWHQS-QFIPXVFZSA-N 1 1 496.430 6.823 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1 ZINC000038547927 569804598 /nfs/dbraw/zinc/80/45/98/569804598.db2.gz ORJOQVXUEKDWCD-QHCPKHFHSA-N 1 1 477.586 6.078 50 0 JKAAMO Cc1cccc(N[C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C(C)C)cc2)[nH+]1 ZINC000038551119 569805099 /nfs/dbraw/zinc/80/50/99/569805099.db2.gz SSSKJRBPBTZWEM-HHHXNRCGSA-N 1 1 485.653 7.501 50 0 JKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038550987 569805101 /nfs/dbraw/zinc/80/51/01/569805101.db2.gz TWDJBHZGLSUESH-NRFANRHFSA-N 1 1 469.513 6.408 50 0 JKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000038551053 569805129 /nfs/dbraw/zinc/80/51/29/569805129.db2.gz AGLWLBMFHVEKJO-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551044 569805142 /nfs/dbraw/zinc/80/51/42/569805142.db2.gz CEHZNYDKEKMDSG-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000038551047 569805151 /nfs/dbraw/zinc/80/51/51/569805151.db2.gz VMLRDTMKGBYZNT-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551046 569805156 /nfs/dbraw/zinc/80/51/56/569805156.db2.gz FXTVGYHCZNIEOO-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2Cl)c1 ZINC000038551063 569805203 /nfs/dbraw/zinc/80/52/03/569805203.db2.gz UQYIWHDEUDNXID-DEOSSOPVSA-N 1 1 478.017 7.031 50 0 JKAAMO 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ZINC000040154558 569820600 /nfs/dbraw/zinc/82/06/00/569820600.db2.gz ZDHKTUJTTJHVBA-CYBMUJFWSA-N 1 1 472.196 5.681 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051881 569832383 /nfs/dbraw/zinc/83/23/83/569832383.db2.gz ILTWYZJZWNCNBQ-KMRXNPHXSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051881 569832384 /nfs/dbraw/zinc/83/23/84/569832384.db2.gz ILTWYZJZWNCNBQ-KMRXNPHXSA-N 1 1 458.602 5.239 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@@H]1C2=C(CCCC2)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000103204082 569833784 /nfs/dbraw/zinc/83/37/84/569833784.db2.gz AAQWUXAIKSJXNF-LJQNWDROSA-N 1 1 474.645 5.503 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653326 569836941 /nfs/dbraw/zinc/83/69/41/569836941.db2.gz ADHVRVGKBCKWRB-UGKGYDQZSA-N 1 1 453.030 5.689 50 0 JKAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000104150604 569842016 /nfs/dbraw/zinc/84/20/16/569842016.db2.gz LZBIANBWOQEDLH-GDLZYMKVSA-N 1 1 495.667 5.774 50 0 JKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1OC ZINC000046032394 569842884 /nfs/dbraw/zinc/84/28/84/569842884.db2.gz AUFISHAFDMCPLS-UHFFFAOYSA-N 1 1 498.608 5.038 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1OC ZINC000046032394 569842885 /nfs/dbraw/zinc/84/28/85/569842885.db2.gz AUFISHAFDMCPLS-UHFFFAOYSA-N 1 1 498.608 5.038 50 0 JKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032342 569842922 /nfs/dbraw/zinc/84/29/22/569842922.db2.gz YQMFXCVVCNIRTJ-UHFFFAOYSA-N 1 1 458.631 5.710 50 0 JKAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032342 569842924 /nfs/dbraw/zinc/84/29/24/569842924.db2.gz YQMFXCVVCNIRTJ-UHFFFAOYSA-N 1 1 458.631 5.710 50 0 JKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032348 569842936 /nfs/dbraw/zinc/84/29/36/569842936.db2.gz QRETZIJMXGRUTO-UHFFFAOYSA-N 1 1 452.583 5.329 50 0 JKAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032348 569842937 /nfs/dbraw/zinc/84/29/37/569842937.db2.gz QRETZIJMXGRUTO-UHFFFAOYSA-N 1 1 452.583 5.329 50 0 JKAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032543 569843137 /nfs/dbraw/zinc/84/31/37/569843137.db2.gz GBCLKUIPKBTWAP-UHFFFAOYSA-N 1 1 460.647 5.819 50 0 JKAAMO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032543 569843138 /nfs/dbraw/zinc/84/31/38/569843138.db2.gz GBCLKUIPKBTWAP-UHFFFAOYSA-N 1 1 460.647 5.819 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032516 569843147 /nfs/dbraw/zinc/84/31/47/569843147.db2.gz GXTPHKBBRHRZGD-UHFFFAOYSA-N 1 1 482.609 5.419 50 0 JKAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032516 569843148 /nfs/dbraw/zinc/84/31/48/569843148.db2.gz GXTPHKBBRHRZGD-UHFFFAOYSA-N 1 1 482.609 5.419 50 0 JKAAMO O=c1c2ccccc2c(-c2cccs2)nn1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000048289318 569845588 /nfs/dbraw/zinc/84/55/88/569845588.db2.gz ZFAQDDROLGDWCZ-UHFFFAOYSA-N 1 1 496.430 5.141 50 0 JKAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCCC[C@H]1c1cccnc1 ZINC000104522684 569845850 /nfs/dbraw/zinc/84/58/50/569845850.db2.gz WSNTXTHLXWKACR-BDYUSTAISA-N 1 1 459.565 5.300 50 0 JKAAMO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919471 569847177 /nfs/dbraw/zinc/84/71/77/569847177.db2.gz BBGGUECQDVGRJY-ILBGXUMGSA-N 1 1 489.557 5.157 50 0 JKAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982605 569847950 /nfs/dbraw/zinc/84/79/50/569847950.db2.gz VLFVYSKZIPNLLA-XZOQPEGZSA-N 1 1 487.402 5.731 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982906 569847988 /nfs/dbraw/zinc/84/79/88/569847988.db2.gz MHCBUJYEERBCBT-FGZHOGPDSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983596 569848205 /nfs/dbraw/zinc/84/82/05/569848205.db2.gz PAGVNWUHZGQOLH-WOJBJXKFSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984510 569848499 /nfs/dbraw/zinc/84/84/99/569848499.db2.gz CNSZBAYEQWELNK-FGZHOGPDSA-N 1 1 482.518 5.016 50 0 JKAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2cccc(Cl)c2)C[C@@H](O)COCc2ccccc2)C1 ZINC000104984224 569848502 /nfs/dbraw/zinc/84/85/02/569848502.db2.gz OVTBGHDYMHFNQI-CLJLJLNGSA-N 1 1 479.020 5.221 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984423 569848541 /nfs/dbraw/zinc/84/85/41/569848541.db2.gz OINASEFJJGMISZ-IZZNHLLZSA-N 1 1 482.983 5.052 50 0 JKAAMO C[N@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000049574661 569848865 /nfs/dbraw/zinc/84/88/65/569848865.db2.gz NDGOZBWPUODXDQ-KRWDZBQOSA-N 1 1 477.200 5.370 50 0 JKAAMO C[N@@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000049574661 569848867 /nfs/dbraw/zinc/84/88/67/569848867.db2.gz NDGOZBWPUODXDQ-KRWDZBQOSA-N 1 1 477.200 5.370 50 0 JKAAMO C[C@H]([NH2+]Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049625241 569849809 /nfs/dbraw/zinc/84/98/09/569849809.db2.gz GCMMHGQGRUMEQC-LBPRGKRZSA-N 1 1 487.195 5.452 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105005802 569849934 /nfs/dbraw/zinc/84/99/34/569849934.db2.gz WOKWODHSXXCWSG-ISKFKSNPSA-N 1 1 495.664 5.666 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000105008576 569850372 /nfs/dbraw/zinc/85/03/72/569850372.db2.gz QXAQDCYNPIVUGC-BWKNWUBXSA-N 1 1 483.628 5.890 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000105018986 569851187 /nfs/dbraw/zinc/85/11/87/569851187.db2.gz ZQYQUWQCESTEPU-IAPPQJPRSA-N 1 1 491.075 6.363 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105012621 569851242 /nfs/dbraw/zinc/85/12/42/569851242.db2.gz ZSMGAMMDFUCIIM-VPUSJEBWSA-N 1 1 493.648 5.048 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105012621 569851243 /nfs/dbraw/zinc/85/12/43/569851243.db2.gz ZSMGAMMDFUCIIM-VPUSJEBWSA-N 1 1 493.648 5.048 50 0 JKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105019167 569851299 /nfs/dbraw/zinc/85/12/99/569851299.db2.gz FNPXVOPFENBXQK-RDGATRHJSA-N 1 1 478.574 6.201 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105041823 569851570 /nfs/dbraw/zinc/85/15/70/569851570.db2.gz LYESCTJQDROWAM-FIBWVYCGSA-N 1 1 486.656 5.779 50 0 JKAAMO Cc1cccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105041409 569851579 /nfs/dbraw/zinc/85/15/79/569851579.db2.gz LHPYLIICEOFWJH-XRKRLSELSA-N 1 1 458.621 6.148 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000105042197 569851604 /nfs/dbraw/zinc/85/16/04/569851604.db2.gz CJAYYLNTBKKYIU-BWKNWUBXSA-N 1 1 454.586 5.793 50 0 JKAAMO Cn1cccc1C[N@H+]1C[C@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000105042252 569851617 /nfs/dbraw/zinc/85/16/17/569851617.db2.gz UURHBBYSXCPWNR-GGXMVOPNSA-N 1 1 455.646 5.716 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041302 569851668 /nfs/dbraw/zinc/85/16/68/569851668.db2.gz ATZRTULJNSMZSL-RBJSKKJNSA-N 1 1 450.642 6.281 50 0 JKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000105042126 569851700 /nfs/dbraw/zinc/85/17/00/569851700.db2.gz QIVDMJRNBXCIBP-KCWPFWIISA-N 1 1 478.608 5.750 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000105042699 569851934 /nfs/dbraw/zinc/85/19/34/569851934.db2.gz NXCZNMHYMPSESG-ZEQKJWHPSA-N 1 1 462.659 5.657 50 0 JKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000105060748 569852592 /nfs/dbraw/zinc/85/25/92/569852592.db2.gz AYQFJXQPCMBHOI-AMGIVPHBSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000107467313 569856465 /nfs/dbraw/zinc/85/64/65/569856465.db2.gz UKENGNMTXGKIDG-KTABXRIESA-N 1 1 460.980 6.163 50 0 JKAAMO Cc1cc(-c2cc(C)c(NC(=O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1NC(=O)CN1CCCCC1 ZINC000109193699 569860462 /nfs/dbraw/zinc/86/04/62/569860462.db2.gz VMLSSKKILJBSQU-UHFFFAOYSA-N 1 1 490.692 5.436 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCCC4)C[C@@H]23)cc1 ZINC000169677546 569868696 /nfs/dbraw/zinc/86/86/96/569868696.db2.gz ZBSIKRFCXQUJCR-NOZRDPDXSA-N 1 1 487.566 5.348 50 0 JKAAMO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677577 569868706 /nfs/dbraw/zinc/86/87/06/569868706.db2.gz BBGGUECQDVGRJY-NOZRDPDXSA-N 1 1 489.557 5.157 50 0 JKAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3C)C2)cc1 ZINC000169677679 569868753 /nfs/dbraw/zinc/86/87/53/569868753.db2.gz OZUOUTXUZQMKAN-FTJBHMTQSA-N 1 1 479.020 5.392 50 0 JKAAMO Cc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3C)C2)cc1 ZINC000169677679 569868754 /nfs/dbraw/zinc/86/87/54/569868754.db2.gz OZUOUTXUZQMKAN-FTJBHMTQSA-N 1 1 479.020 5.392 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169680007 569870051 /nfs/dbraw/zinc/87/00/51/569870051.db2.gz UFVXQFREMLIJOW-PXDATVDWSA-N 1 1 483.628 5.746 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680017 569870110 /nfs/dbraw/zinc/87/01/10/569870110.db2.gz WTKFVCJZKFJSMO-ILBGXUMGSA-N 1 1 479.665 5.822 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680340 569870274 /nfs/dbraw/zinc/87/02/74/569870274.db2.gz APWGJNYOCUHSHT-RCZVLFRGSA-N 1 1 465.638 5.668 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680284 569870289 /nfs/dbraw/zinc/87/02/89/569870289.db2.gz DOHUMSFYLWEUNS-FYYLOGMGSA-N 1 1 495.664 5.665 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680279 569870305 /nfs/dbraw/zinc/87/03/05/569870305.db2.gz GHOZMXCRSLJGNI-FYYLOGMGSA-N 1 1 481.637 5.274 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680280 569870341 /nfs/dbraw/zinc/87/03/41/569870341.db2.gz GHOZMXCRSLJGNI-JTHBVZDNSA-N 1 1 481.637 5.274 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000169680294 569870358 /nfs/dbraw/zinc/87/03/58/569870358.db2.gz WHASPQWBTNRBQN-WMZHIEFXSA-N 1 1 455.574 5.110 50 0 JKAAMO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000169680359 569870440 /nfs/dbraw/zinc/87/04/40/569870440.db2.gz IXCDXDHWHHYENL-KAYWLYCHSA-N 1 1 492.685 5.432 50 0 JKAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000169680359 569870441 /nfs/dbraw/zinc/87/04/41/569870441.db2.gz IXCDXDHWHHYENL-KAYWLYCHSA-N 1 1 492.685 5.432 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169680611 569870619 /nfs/dbraw/zinc/87/06/19/569870619.db2.gz BSGUTWPMMGAERR-XUZZJYLKSA-N 1 1 495.664 5.758 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169680603 569870672 /nfs/dbraw/zinc/87/06/72/569870672.db2.gz HAZHDLFDAJMUBC-HYBUGGRVSA-N 1 1 469.601 5.499 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169680961 569870733 /nfs/dbraw/zinc/87/07/33/569870733.db2.gz TXMMEXQAGLJBND-KCWPFWIISA-N 1 1 499.655 6.186 50 0 JKAAMO COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000226761258 570038390 /nfs/dbraw/zinc/03/83/90/570038390.db2.gz SAWVUKDENDAEIS-VWLOTQADSA-N 1 1 479.418 5.594 50 0 JKAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000229861083 570041579 /nfs/dbraw/zinc/04/15/79/570041579.db2.gz ZGYQVMZTTCMRKW-QQUYXWBCSA-N 1 1 497.470 5.364 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076676 570044451 /nfs/dbraw/zinc/04/44/51/570044451.db2.gz GWEMFKTUERXUNW-NYMACZPPSA-N 1 1 481.706 5.456 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077341 570044564 /nfs/dbraw/zinc/04/45/64/570044564.db2.gz GGFMFBIMQUCBSQ-UIOOFZCWSA-N 1 1 481.706 5.600 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077347 570044575 /nfs/dbraw/zinc/04/45/75/570044575.db2.gz GGFMFBIMQUCBSQ-FTJBHMTQSA-N 1 1 481.706 5.600 50 0 JKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156983 570046099 /nfs/dbraw/zinc/04/60/99/570046099.db2.gz MIEOGAKZEZQIJG-LMSSTIIKSA-N 1 1 485.031 5.304 50 0 biogenic JKAAMO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@H](c2ccccc2C)C1 ZINC000230155488 570046103 /nfs/dbraw/zinc/04/61/03/570046103.db2.gz SJIURQUFXQNXTF-LITSAYRRSA-N 1 1 486.725 7.056 50 0 JKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@H]43)cc12 ZINC000239425950 570051926 /nfs/dbraw/zinc/05/19/26/570051926.db2.gz VMZVMGWPJXZHKE-FYYLOGMGSA-N 1 1 477.033 5.805 50 0 JKAAMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000244986105 570054463 /nfs/dbraw/zinc/05/44/63/570054463.db2.gz JGFLECXFWFTLKV-SFHVURJKSA-N 1 1 494.989 5.186 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000245228519 570055601 /nfs/dbraw/zinc/05/56/01/570055601.db2.gz GWEMFKTUERXUNW-QGDZQMKYSA-N 1 1 481.706 5.456 50 0 JKAAMO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@@H+](Cc2ccccc2)[C@H]2CCCC[C@H]2O)cc1 ZINC000245228701 570055860 /nfs/dbraw/zinc/05/58/60/570055860.db2.gz CPUSEDMZFOPLDE-YHHKDRGWSA-N 1 1 484.640 5.484 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234408 570056872 /nfs/dbraw/zinc/05/68/72/570056872.db2.gz AUUUCHCGFJPFFD-UETOGOEVSA-N 1 1 496.696 5.331 50 0 JKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000245280032 570061723 /nfs/dbraw/zinc/06/17/23/570061723.db2.gz MLZUYSPIWJYFLW-SVBPBHIXSA-N 1 1 459.609 5.430 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245280761 570061980 /nfs/dbraw/zinc/06/19/80/570061980.db2.gz SGQBSSUHBVSQKM-LITSAYRRSA-N 1 1 460.593 5.407 50 0 JKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280820 570062031 /nfs/dbraw/zinc/06/20/31/570062031.db2.gz UAZJPEQUPOXSCK-JYFHCDHNSA-N 1 1 479.621 5.124 50 0 JKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280820 570062032 /nfs/dbraw/zinc/06/20/32/570062032.db2.gz UAZJPEQUPOXSCK-JYFHCDHNSA-N 1 1 479.621 5.124 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280801 570062117 /nfs/dbraw/zinc/06/21/17/570062117.db2.gz TYBLSJBUHGIICU-RPLLCQBOSA-N 1 1 493.648 5.514 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245280801 570062118 /nfs/dbraw/zinc/06/21/18/570062118.db2.gz TYBLSJBUHGIICU-RPLLCQBOSA-N 1 1 493.648 5.514 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1ccccc1 ZINC000245281239 570062164 /nfs/dbraw/zinc/06/21/64/570062164.db2.gz WMNYBFHKXSIINF-UKILVPOCSA-N 1 1 493.648 5.036 50 0 JKAAMO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN([C@H]3CCCC[C@@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295435 570062623 /nfs/dbraw/zinc/06/26/23/570062623.db2.gz FDLGLXYCHXTXKQ-BHSUFKTOSA-N 1 1 494.720 5.432 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000245339062 570066908 /nfs/dbraw/zinc/06/69/08/570066908.db2.gz QFSXUIVQGITYFC-HOFKKMOUSA-N 1 1 464.581 5.441 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000247721719 570068952 /nfs/dbraw/zinc/06/89/52/570068952.db2.gz BKJKUXDFLNNHRO-SHQCIBLASA-N 1 1 483.015 5.949 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1 ZINC000247901080 570071055 /nfs/dbraw/zinc/07/10/55/570071055.db2.gz QRDBQBIDDYPYCH-BVAGGSTKSA-N 1 1 482.546 5.984 50 0 JKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247983572 570072104 /nfs/dbraw/zinc/07/21/04/570072104.db2.gz HZJOIVXYOQBGFO-OFVILXPXSA-N 1 1 487.541 5.939 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000247990070 570072314 /nfs/dbraw/zinc/07/23/14/570072314.db2.gz AKHMKFTYVDWUGN-BJKOFHAPSA-N 1 1 498.067 6.159 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000247990070 570072316 /nfs/dbraw/zinc/07/23/16/570072316.db2.gz AKHMKFTYVDWUGN-BJKOFHAPSA-N 1 1 498.067 6.159 50 0 JKAAMO CCCCCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248068187 570073362 /nfs/dbraw/zinc/07/33/62/570073362.db2.gz GJSCURGNMIPHTM-QDPGVEIFSA-N 1 1 495.733 5.424 50 0 JKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000248081838 570073561 /nfs/dbraw/zinc/07/35/61/570073561.db2.gz JUAZDCJVQRSAOU-SKCUWOTOSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087446 570073713 /nfs/dbraw/zinc/07/37/13/570073713.db2.gz FNFNNGURZGQJNT-BVAGGSTKSA-N 1 1 484.562 6.373 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248113897 570074336 /nfs/dbraw/zinc/07/43/36/570074336.db2.gz UIQNIYLUCHZNAC-RNWIMVQKSA-N 1 1 495.733 5.424 50 0 JKAAMO CCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000248146731 570075455 /nfs/dbraw/zinc/07/54/55/570075455.db2.gz FFIUFKRAVGPWBC-UKILVPOCSA-N 1 1 463.622 5.369 50 0 JKAAMO CCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000248146731 570075457 /nfs/dbraw/zinc/07/54/57/570075457.db2.gz FFIUFKRAVGPWBC-UKILVPOCSA-N 1 1 463.622 5.369 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248213642 570076215 /nfs/dbraw/zinc/07/62/15/570076215.db2.gz FJAFEBNWSSCYAB-AHWVRZQESA-N 1 1 480.574 6.118 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)C1 ZINC000252450977 570080943 /nfs/dbraw/zinc/08/09/43/570080943.db2.gz DEQKDFCJTIUWLK-VANUSSGQSA-N 1 1 479.690 5.210 50 0 JKAAMO O=C(Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-c2ccccc2)cc1 ZINC000253414752 570098597 /nfs/dbraw/zinc/09/85/97/570098597.db2.gz YMBAISMJGDAEQT-AZGAKELHSA-N 1 1 457.643 6.358 50 0 biogenic JKAAMO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000253612153 570104695 /nfs/dbraw/zinc/10/46/95/570104695.db2.gz CVVMLEFCKQGMAH-RLPNJSHFSA-N 1 1 466.666 5.422 50 0 JKAAMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000299754423 570174074 /nfs/dbraw/zinc/17/40/74/570174074.db2.gz MXNKWVJDTAMPEL-OZXSUGGESA-N 1 1 488.628 5.124 50 0 biogenic JKAAMO Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)CCc4ccccc4)cc3)C2)cs1 ZINC000299788384 570176895 /nfs/dbraw/zinc/17/68/95/570176895.db2.gz RECDDFZLNCGDOK-XMMPIXPASA-N 1 1 463.647 5.057 50 0 JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000001072944 194016922 /nfs/dbraw/zinc/01/69/22/194016922.db2.gz HXNGFYZLCLPCNU-JYFHCDHNSA-N 1 1 466.585 5.485 50 0 biogenic,in-vitro JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000001108564 194026484 /nfs/dbraw/zinc/02/64/84/194026484.db2.gz NYEAFMCLKVXNHR-UHFFFAOYSA-N 1 1 450.498 5.437 50 0 JKAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000001080385 194020197 /nfs/dbraw/zinc/02/01/97/194020197.db2.gz MLIXMOSTTVOKLF-XZOQPEGZSA-N 1 1 457.331 5.253 50 0 JKAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000001080387 194020204 /nfs/dbraw/zinc/02/02/04/194020204.db2.gz MLIXMOSTTVOKLF-DHIUTWEWSA-N 1 1 457.331 5.253 50 0 JKAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000001080386 194020257 /nfs/dbraw/zinc/02/02/57/194020257.db2.gz MLIXMOSTTVOKLF-PKTZIBPZSA-N 1 1 457.331 5.253 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000001447647 194122921 /nfs/dbraw/zinc/12/29/21/194122921.db2.gz NOAZXULMVPGPJQ-UHFFFAOYSA-N 1 1 491.595 5.431 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)C[C@@H]2C)c1 ZINC000002714059 194164717 /nfs/dbraw/zinc/16/47/17/194164717.db2.gz LNIBIXISPIIHMY-QHCPKHFHSA-N 1 1 459.597 6.111 50 0 JKAAMO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1OCc1ccccc1 ZINC000002928821 194172899 /nfs/dbraw/zinc/17/28/99/194172899.db2.gz KNIRQBUJADARKA-MUUNZHRXSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1OCc1ccccc1 ZINC000002928821 194172903 /nfs/dbraw/zinc/17/29/03/194172903.db2.gz KNIRQBUJADARKA-MUUNZHRXSA-N 1 1 466.625 6.821 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(OC)cc2)cc1 ZINC000002974795 194190374 /nfs/dbraw/zinc/19/03/74/194190374.db2.gz RSWOEQYDJJIXJH-UHFFFAOYSA-N 1 1 450.542 6.107 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1Cl ZINC000002974952 194190647 /nfs/dbraw/zinc/19/06/47/194190647.db2.gz YIHQSTHWUOGDAH-UHFFFAOYSA-N 1 1 459.380 7.315 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)c1 ZINC000002975003 194190685 /nfs/dbraw/zinc/19/06/85/194190685.db2.gz UZDLZJCXVHIDDU-UHFFFAOYSA-N 1 1 492.932 7.414 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000002974907 194190734 /nfs/dbraw/zinc/19/07/34/194190734.db2.gz OSKIVAMYLHFRRU-UHFFFAOYSA-N 1 1 493.586 5.952 50 0 JKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)c1 ZINC000002975000 194190753 /nfs/dbraw/zinc/19/07/53/194190753.db2.gz UTLNDMMVFHEHIJ-UHFFFAOYSA-N 1 1 478.905 7.372 50 0 JKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003008001 194202606 /nfs/dbraw/zinc/20/26/06/194202606.db2.gz XOJNLSMGVHTGTJ-UHFFFAOYSA-N 1 1 453.586 5.552 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054447 194220214 /nfs/dbraw/zinc/22/02/14/194220214.db2.gz OZNNBFWRHMWTFO-NRFANRHFSA-N 1 1 489.616 5.351 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)Cc1ccccc1 ZINC000003064154 194223181 /nfs/dbraw/zinc/22/31/81/194223181.db2.gz AKYHJPVVJUSJFE-ITYLOYPMSA-N 1 1 471.626 5.414 50 0 JKAAMO CC(=O)Nc1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 ZINC000003049122 194218330 /nfs/dbraw/zinc/21/83/30/194218330.db2.gz WEVMDFIBAIOAOY-UHFFFAOYSA-N 1 1 480.033 5.238 50 0 JKAAMO CCCC[N@@H+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003138244 194230809 /nfs/dbraw/zinc/23/08/09/194230809.db2.gz FEUSIKWECNSVOC-INIZCTEOSA-N 1 1 468.233 5.412 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003182958 194235511 /nfs/dbraw/zinc/23/55/11/194235511.db2.gz DUGZYNAJVLVDKS-URXFXBBRSA-N 1 1 454.599 5.357 50 0 JKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)cc12 ZINC000003275047 194259916 /nfs/dbraw/zinc/25/99/16/194259916.db2.gz VMZVMGWPJXZHKE-GMAHTHKFSA-N 1 1 477.033 5.805 50 0 JKAAMO CC[C@H](c1nnc(Sc2ncnc3sc4c(c32)CCCCC4)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000003438576 194324584 /nfs/dbraw/zinc/32/45/84/194324584.db2.gz YPVBNFFMSCHZEI-LJQANCHMSA-N 1 1 494.690 5.713 50 0 JKAAMO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665674 194356526 /nfs/dbraw/zinc/35/65/26/194356526.db2.gz SKYWJDGBNLQASA-QGZVFWFLSA-N 1 1 466.116 6.040 50 0 JKAAMO CCOc1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000009680762 194887820 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Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036304087 527549495 /nfs/dbraw/zinc/54/94/95/527549495.db2.gz AJEJNEDOVVXEOK-AREMUKBSSA-N 1 1 477.555 6.195 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346082 527549954 /nfs/dbraw/zinc/54/99/54/527549954.db2.gz OZLHQAKUVICDEF-HSZRJFAPSA-N 1 1 467.585 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036308661 527550426 /nfs/dbraw/zinc/55/04/26/527550426.db2.gz BILJLIQVKHDTIA-VWLOTQADSA-N 1 1 463.622 5.219 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036308442 527550571 /nfs/dbraw/zinc/55/05/71/527550571.db2.gz JHIBOSHTYMPWCE-RUZDIDTESA-N 1 1 469.585 5.377 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036308442 527550578 /nfs/dbraw/zinc/55/05/78/527550578.db2.gz JHIBOSHTYMPWCE-RUZDIDTESA-N 1 1 469.585 5.377 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036304889 527551007 /nfs/dbraw/zinc/55/10/07/527551007.db2.gz KSPFRPPEOQYYTK-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036303582 527551115 /nfs/dbraw/zinc/55/11/15/527551115.db2.gz RADPXSGCUBYGHE-HSZRJFAPSA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036303593 527551134 /nfs/dbraw/zinc/55/11/34/527551134.db2.gz RNZFMONFRWAKSP-XMMPIXPASA-N 1 1 498.067 5.872 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146029 527658741 /nfs/dbraw/zinc/65/87/41/527658741.db2.gz QHQGHJBLSFZOGI-RPWUZVMVSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146552 527662148 /nfs/dbraw/zinc/66/21/48/527662148.db2.gz STDWCEGNPNAXQV-NOZRDPDXSA-N 1 1 485.411 5.429 50 0 JKAAMO 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C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000009008384 554862765 /nfs/dbraw/zinc/86/27/65/554862765.db2.gz QKKIERNWNXLBMV-XMMPIXPASA-N 1 1 469.566 5.537 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000009008384 554862766 /nfs/dbraw/zinc/86/27/66/554862766.db2.gz QKKIERNWNXLBMV-XMMPIXPASA-N 1 1 469.566 5.537 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000009033402 554867682 /nfs/dbraw/zinc/86/76/82/554867682.db2.gz OXYYGWFHYWELQU-YXJHDRRASA-N 1 1 454.225 5.047 50 0 biogenic JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000009115444 554902131 /nfs/dbraw/zinc/90/21/31/554902131.db2.gz HGUOAQCANCGXLC-XIFFEERXSA-N 1 1 487.065 5.663 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227609 555000478 /nfs/dbraw/zinc/00/04/78/555000478.db2.gz KMIHBWBEFHJCHP-FQEVSTJZSA-N 1 1 464.610 5.337 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227607 555000548 /nfs/dbraw/zinc/00/05/48/555000548.db2.gz KMIHBWBEFHJCHP-HXUWFJFHSA-N 1 1 464.610 5.337 50 0 JKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000009229062 555003133 /nfs/dbraw/zinc/00/31/33/555003133.db2.gz MBLSEUZYGBZGJE-UHFFFAOYSA-N 1 1 451.614 5.485 50 0 JKAAMO Cc1c(C(=O)N2CCOCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)sc1-c1ccccc1 ZINC000009257560 555033660 /nfs/dbraw/zinc/03/36/60/555033660.db2.gz AWHNFQYFOWQNER-FQEVSTJZSA-N 1 1 495.670 5.033 50 0 JKAAMO Cc1c(C(=O)N2CCOCC2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)sc1-c1ccccc1 ZINC000009257560 555033662 /nfs/dbraw/zinc/03/36/62/555033662.db2.gz AWHNFQYFOWQNER-FQEVSTJZSA-N 1 1 495.670 5.033 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288179 555061690 /nfs/dbraw/zinc/06/16/90/555061690.db2.gz BUUAEPYPISHVNI-UHFFFAOYSA-N 1 1 492.088 7.003 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)c2Sc1ccccc1 ZINC000009288394 555062218 /nfs/dbraw/zinc/06/22/18/555062218.db2.gz NMZQKCZMJVHBSL-UHFFFAOYSA-N 1 1 487.669 6.358 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+](C)C1CCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288653 555062450 /nfs/dbraw/zinc/06/24/50/555062450.db2.gz MKPCBWSYXIVEOB-UHFFFAOYSA-N 1 1 486.081 6.366 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292280 555067350 /nfs/dbraw/zinc/06/73/50/555067350.db2.gz ACCAQFZQTRYVJT-IZLXSDGUSA-N 1 1 480.568 5.631 50 0 JKAAMO Cc1[nH+]c2cc(Nc3nnc(-c4ccc(Cl)cc4)c4ccccc43)ccc2n1Cc1ccccc1 ZINC000009310690 555086753 /nfs/dbraw/zinc/08/67/53/555086753.db2.gz IEQWXFKAYPZJIP-UHFFFAOYSA-N 1 1 475.983 7.400 50 0 JKAAMO Cc1[nH+]ccn1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009311078 555087279 /nfs/dbraw/zinc/08/72/79/555087279.db2.gz IZLSVFZDYRUMLA-SANMLTNESA-N 1 1 457.577 6.695 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000009334953 555102211 /nfs/dbraw/zinc/10/22/11/555102211.db2.gz RKZLOOJIGRCSPB-PWMMPXSUSA-N 1 1 479.592 6.320 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000009344647 555110111 /nfs/dbraw/zinc/11/01/11/555110111.db2.gz CFUXGCBJBNJCCV-CLJLJLNGSA-N 1 1 468.582 5.530 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345198 555110970 /nfs/dbraw/zinc/11/09/70/555110970.db2.gz JJGBWEFTVBXQRK-WUFINQPMSA-N 1 1 480.568 5.631 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000009346142 555112726 /nfs/dbraw/zinc/11/27/26/555112726.db2.gz BDIZVKCFHCQOAW-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000009346220 555113032 /nfs/dbraw/zinc/11/30/32/555113032.db2.gz QNQSDXXYXGBZTC-LOSJGSFVSA-N 1 1 490.922 5.301 50 0 JKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000009347916 555114159 /nfs/dbraw/zinc/11/41/59/555114159.db2.gz IGKNYERIRUINBP-GHPJVDHGSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000009347916 555114161 /nfs/dbraw/zinc/11/41/61/555114161.db2.gz IGKNYERIRUINBP-GHPJVDHGSA-N 1 1 474.601 5.164 50 0 JKAAMO COC(=O)c1c(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(Cc3ccccc3)c3ccccc3n12 ZINC000009350838 555117154 /nfs/dbraw/zinc/11/71/54/555117154.db2.gz HSWRKJAWORETBM-UHFFFAOYSA-N 1 1 482.628 5.525 50 0 JKAAMO Brc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000009354840 555119380 /nfs/dbraw/zinc/11/93/80/555119380.db2.gz HFCWVXWVLFCWKC-GOTSBHOMSA-N 1 1 457.331 5.253 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433047 555202896 /nfs/dbraw/zinc/20/28/96/555202896.db2.gz NKHANABDLBUCCV-RRPNLBNLSA-N 1 1 489.685 5.323 50 0 JKAAMO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)C[NH+]1CCCCC1)c1ccccc1CC2 ZINC000009455684 555225732 /nfs/dbraw/zinc/22/57/32/555225732.db2.gz SVUVHSPHWBDHGN-UHFFFAOYSA-N 1 1 461.650 6.091 50 0 JKAAMO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000009475208 555257443 /nfs/dbraw/zinc/25/74/43/555257443.db2.gz DNAJFLPLRJJROS-UHFFFAOYSA-N 1 1 455.562 5.429 50 0 JKAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494719 555279114 /nfs/dbraw/zinc/27/91/14/555279114.db2.gz JMJTUDCRHYLANB-ZCYQVOJMSA-N 1 1 476.642 5.982 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009495802 555280557 /nfs/dbraw/zinc/28/05/57/555280557.db2.gz GHPLSOAYGOWYSA-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000009531086 555325939 /nfs/dbraw/zinc/32/59/39/555325939.db2.gz HLTYMXJOXUHCQE-UHFFFAOYSA-N 1 1 461.953 5.019 50 0 JKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000009531143 555325971 /nfs/dbraw/zinc/32/59/71/555325971.db2.gz BWNMZMMVRVNCFN-UHFFFAOYSA-N 1 1 460.965 5.520 50 0 JKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)c1 ZINC000009531653 555326573 /nfs/dbraw/zinc/32/65/73/555326573.db2.gz DHZIFESAIAESDL-UHFFFAOYSA-N 1 1 479.027 7.200 50 0 JKAAMO CC[NH+]1CCN(C(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)CC1 ZINC000013304434 555374258 /nfs/dbraw/zinc/37/42/58/555374258.db2.gz XNGRVSKAOKZOOG-UHFFFAOYSA-N 1 1 455.697 5.491 50 0 JKAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009582126 555389029 /nfs/dbraw/zinc/38/90/29/555389029.db2.gz NNWGWYDEBYUFKO-QFIPXVFZSA-N 1 1 477.630 5.001 50 0 JKAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009582126 555389033 /nfs/dbraw/zinc/38/90/33/555389033.db2.gz NNWGWYDEBYUFKO-QFIPXVFZSA-N 1 1 477.630 5.001 50 0 JKAAMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1Cl ZINC000009582866 555390011 /nfs/dbraw/zinc/39/00/11/555390011.db2.gz DDNINIORSOAUDH-AREMUKBSSA-N 1 1 492.019 5.444 50 0 JKAAMO C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369289 555391023 /nfs/dbraw/zinc/39/10/23/555391023.db2.gz SYZPWRURXBRPGX-IBGZPJMESA-N 1 1 453.030 5.689 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680658 555408561 /nfs/dbraw/zinc/40/85/61/555408561.db2.gz OFWLPPBQSOPXFM-UHFFFAOYSA-N 1 1 464.610 5.238 50 0 JKAAMO CCCC[N@@H+](CC)Cc1ccc(CNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)o1 ZINC000009685621 555414264 /nfs/dbraw/zinc/41/42/64/555414264.db2.gz SLWJBJKHQHRDBT-UHFFFAOYSA-N 1 1 499.677 5.325 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)Cc1ccccc1 ZINC000009693080 555422389 /nfs/dbraw/zinc/42/23/89/555422389.db2.gz CKYFVMHTCHMRSA-UHFFFAOYSA-N 1 1 450.583 5.083 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCCC[N@H+](CC)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000009608321 555435413 /nfs/dbraw/zinc/43/54/13/555435413.db2.gz AFBFQWVMUFMEPJ-UHFFFAOYSA-N 1 1 471.670 6.632 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCC[N@H+]([C@@H](C)CC)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608329 555435451 /nfs/dbraw/zinc/43/54/51/555435451.db2.gz MURFXZWJYJHFFG-NRFANRHFSA-N 1 1 477.718 7.153 50 0 JKAAMO O=C(/C=C/c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019832002 555505641 /nfs/dbraw/zinc/50/56/41/555505641.db2.gz KWUJGFLBRYZFNO-DTQAZKPQSA-N 1 1 461.403 5.396 50 0 JKAAMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019831914 555505759 /nfs/dbraw/zinc/50/57/59/555505759.db2.gz HHBYRLADBCSSKM-UHFFFAOYSA-N 1 1 468.984 6.943 50 0 JKAAMO Cc1[nH]c2ccccc2c1CC[NH2+][C@H](c1nnnn1-c1c(C)cccc1C)c1ccc(Cl)cc1 ZINC000019848417 555509826 /nfs/dbraw/zinc/50/98/26/555509826.db2.gz DFPRBEOPTKOUQH-VWLOTQADSA-N 1 1 471.008 5.644 50 0 JKAAMO CCOC(=O)c1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000013573234 555511808 /nfs/dbraw/zinc/51/18/08/555511808.db2.gz WGUONRVNSOJLRI-LJQANCHMSA-N 1 1 459.681 5.246 50 0 JKAAMO COc1ccc2c(c1)c(C(=O)CN1CC[NH+](C3c4ccccc4-c4ccccc43)CC1)c(C)n2C ZINC000019860452 555519738 /nfs/dbraw/zinc/51/97/38/555519738.db2.gz QMOIWPRJOBGKMQ-UHFFFAOYSA-N 1 1 465.597 5.066 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccn2)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019879854 555525321 /nfs/dbraw/zinc/52/53/21/555525321.db2.gz WZIQBZRXXNMYCM-AREMUKBSSA-N 1 1 486.641 5.512 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000019880304 555525498 /nfs/dbraw/zinc/52/54/98/555525498.db2.gz LOZZMOMMUQKBDU-SANMLTNESA-N 1 1 487.694 6.590 50 0 JKAAMO O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019881729 555526937 /nfs/dbraw/zinc/52/69/37/555526937.db2.gz RRKBLPKQJBPGOV-UHFFFAOYSA-N 1 1 493.390 5.647 50 0 JKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000013640543 555546899 /nfs/dbraw/zinc/54/68/99/555546899.db2.gz QHGLIQFLJSAVMX-UHFFFAOYSA-N 1 1 458.472 5.389 50 0 JKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000013640568 555547269 /nfs/dbraw/zinc/54/72/69/555547269.db2.gz ZCXZVULYJXSSTC-MJGOQNOKSA-N 1 1 472.496 5.351 50 0 JKAAMO O=C(Cc1coc2ccc3ccccc3c12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019938356 555556230 /nfs/dbraw/zinc/55/62/30/555556230.db2.gz NXGFHIKYLDEYJC-UHFFFAOYSA-N 1 1 460.577 6.062 50 0 JKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019940231 555558225 /nfs/dbraw/zinc/55/82/25/555558225.db2.gz ZFAFIWCBVJIXTQ-UHFFFAOYSA-N 1 1 495.758 7.194 50 0 JKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](Cc1ccccc1)C3 ZINC000019940231 555558227 /nfs/dbraw/zinc/55/82/27/555558227.db2.gz ZFAFIWCBVJIXTQ-UHFFFAOYSA-N 1 1 495.758 7.194 50 0 JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCCOc3cccc4ccccc43)CC2)cc1 ZINC000019947649 555563788 /nfs/dbraw/zinc/56/37/88/555563788.db2.gz ONIVDAXMTPEOHK-UHFFFAOYSA-N 1 1 450.626 6.406 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000009971612 555569668 /nfs/dbraw/zinc/56/96/68/555569668.db2.gz CLDKSZAZIURUJZ-QHCPKHFHSA-N 1 1 458.599 5.089 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000009972276 555571625 /nfs/dbraw/zinc/57/16/25/555571625.db2.gz ISTQUAPICYMORV-UKRRQHHQSA-N 1 1 482.890 5.083 50 0 JKAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000020027321 555603462 /nfs/dbraw/zinc/60/34/62/555603462.db2.gz UOTXYUQUXXEGBS-SANMLTNESA-N 1 1 481.003 5.381 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000013768215 555613466 /nfs/dbraw/zinc/61/34/66/555613466.db2.gz SBYSBUXPPSFTJO-TWRBBEJXSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000013768215 555613468 /nfs/dbraw/zinc/61/34/68/555613468.db2.gz SBYSBUXPPSFTJO-TWRBBEJXSA-N 1 1 474.601 5.164 50 0 JKAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000020059516 555622652 /nfs/dbraw/zinc/62/26/52/555622652.db2.gz JGADKEHTISWKSV-RBJSKKJNSA-N 1 1 474.648 7.364 50 0 JKAAMO CCOc1ccc(C[NH+]2CCN(c3cc(C(C)(C)C)nc4c(-c5ccccc5)cnn43)CC2)cc1 ZINC000013815239 555629076 /nfs/dbraw/zinc/62/90/76/555629076.db2.gz PYVOCCRVRPRBCP-UHFFFAOYSA-N 1 1 469.633 5.415 50 0 JKAAMO Oc1ccccc1-c1nc2ccccc2c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020110122 555645966 /nfs/dbraw/zinc/64/59/66/555645966.db2.gz CEJPLORHALXXMN-UHFFFAOYSA-N 1 1 472.592 5.914 50 0 JKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112186 555649323 /nfs/dbraw/zinc/64/93/23/555649323.db2.gz NBJASNUKULGOJS-YETYPGTRSA-N 1 1 484.684 5.708 50 0 biogenic JKAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112197 555649348 /nfs/dbraw/zinc/64/93/48/555649348.db2.gz MFRKKZWZFLPJOP-UUEOAETPSA-N 1 1 482.668 5.628 50 0 biogenic JKAAMO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000020116152 555653647 /nfs/dbraw/zinc/65/36/47/555653647.db2.gz ZWUOJRFJVADCIJ-MCKPQKFISA-N 1 1 493.736 5.290 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180382 555686667 /nfs/dbraw/zinc/68/66/67/555686667.db2.gz YMZJPDHUGGCWLL-SMTYBQBFSA-N 1 1 498.092 5.547 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181389 555688159 /nfs/dbraw/zinc/68/81/59/555688159.db2.gz ZRRISUYAKOATCX-QUESDIRFSA-N 1 1 484.065 5.201 50 0 JKAAMO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020193404 555695032 /nfs/dbraw/zinc/69/50/32/555695032.db2.gz ICDTVEJVZZSAAH-RUZDIDTESA-N 1 1 463.647 5.353 50 0 JKAAMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)s1 ZINC000014124668 555696120 /nfs/dbraw/zinc/69/61/20/555696120.db2.gz CKRLEHLQSYWVDX-LBPRGKRZSA-N 1 1 461.410 5.550 50 0 JKAAMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)s1 ZINC000014124668 555696124 /nfs/dbraw/zinc/69/61/24/555696124.db2.gz CKRLEHLQSYWVDX-LBPRGKRZSA-N 1 1 461.410 5.550 50 0 JKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000010435187 555709861 /nfs/dbraw/zinc/70/98/61/555709861.db2.gz ZZXYWGQEOUCORQ-HHHXNRCGSA-N 1 1 493.611 5.604 50 0 JKAAMO CCc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218777 555712488 /nfs/dbraw/zinc/71/24/88/555712488.db2.gz MMLSGYXAOCHPGO-HSZRJFAPSA-N 1 1 454.039 5.553 50 0 JKAAMO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCC[N@@H+]1CCc2ccccc2C1 ZINC000020239270 555733402 /nfs/dbraw/zinc/73/34/02/555733402.db2.gz CULUPGSFAOJQHR-UHFFFAOYSA-N 1 1 466.050 5.034 50 0 JKAAMO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCC[N@H+]1CCc2ccccc2C1 ZINC000020239270 555733406 /nfs/dbraw/zinc/73/34/06/555733406.db2.gz CULUPGSFAOJQHR-UHFFFAOYSA-N 1 1 466.050 5.034 50 0 JKAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241388 555736782 /nfs/dbraw/zinc/73/67/82/555736782.db2.gz BRZHXABSYVVAHO-PVAWZGFLSA-N 1 1 465.604 5.200 50 0 JKAAMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000020258405 555744086 /nfs/dbraw/zinc/74/40/86/555744086.db2.gz KQKSGTGZERAUSM-UHFFFAOYSA-N 1 1 465.391 5.005 50 0 JKAAMO CC(C)c1csc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n1 ZINC000020323720 555772067 /nfs/dbraw/zinc/77/20/67/555772067.db2.gz FUMSUGPRCMFEAH-UHFFFAOYSA-N 1 1 451.640 5.262 50 0 JKAAMO CC(C)[N@@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)C1 ZINC000020332186 555777165 /nfs/dbraw/zinc/77/71/65/555777165.db2.gz LENZPAPHGBVKMP-UHFFFAOYSA-N 1 1 452.634 5.008 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)C1 ZINC000020332186 555777167 /nfs/dbraw/zinc/77/71/67/555777167.db2.gz LENZPAPHGBVKMP-UHFFFAOYSA-N 1 1 452.634 5.008 50 0 JKAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC1CCCCC1 ZINC000020347269 555779634 /nfs/dbraw/zinc/77/96/34/555779634.db2.gz JMJDPEQQFDQBJQ-UHFFFAOYSA-N 1 1 496.655 5.688 50 0 JKAAMO Cc1cc(Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)n2nc(-c3ccccc3)nc2n1 ZINC000020353120 555780834 /nfs/dbraw/zinc/78/08/34/555780834.db2.gz RPWAROCFVNNUIC-UHFFFAOYSA-N 1 1 493.590 5.305 50 0 JKAAMO Cc1ccc(CN2CCSc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc32)cc1 ZINC000020355107 555782474 /nfs/dbraw/zinc/78/24/74/555782474.db2.gz HGKABDHAFIVILH-UHFFFAOYSA-N 1 1 457.643 5.065 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355190 555782701 /nfs/dbraw/zinc/78/27/01/555782701.db2.gz KXTHRFIBIWNSHG-QICHVEDASA-N 1 1 495.623 5.176 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508729 555792077 /nfs/dbraw/zinc/79/20/77/555792077.db2.gz VVZIVQNXIXNZMG-RFLWCCGPSA-N 1 1 479.690 5.352 50 0 JKAAMO CCOc1ccc2oc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c2c1 ZINC000014356938 555796374 /nfs/dbraw/zinc/79/63/74/555796374.db2.gz DDYLPZBGLMKAKM-UHFFFAOYSA-N 1 1 454.570 5.687 50 0 JKAAMO CC(C)CC[C@@H](NC(=O)NCc1ccccc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532181 555800821 /nfs/dbraw/zinc/80/08/21/555800821.db2.gz JABICFYXMPDGGP-JOCHJYFZSA-N 1 1 450.652 5.503 50 0 JKAAMO CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000020532188 555800840 /nfs/dbraw/zinc/80/08/40/555800840.db2.gz MOQBHJKTACHMBQ-DEOSSOPVSA-N 1 1 478.706 6.778 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532190 555800890 /nfs/dbraw/zinc/80/08/90/555800890.db2.gz UYFOAHUHBORALD-QHCPKHFHSA-N 1 1 499.124 7.178 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532199 555800973 /nfs/dbraw/zinc/80/09/73/555800973.db2.gz JUMQZWKSRUPXDG-XMMPIXPASA-N 1 1 478.706 6.833 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532236 555801145 /nfs/dbraw/zinc/80/11/45/555801145.db2.gz YMGCQDIFFZUTCU-HNNXBMFYSA-N 1 1 473.440 5.562 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020532248 555801178 /nfs/dbraw/zinc/80/11/78/555801178.db2.gz ATGBNPYKOIJJLY-INIZCTEOSA-N 1 1 487.467 5.870 50 0 JKAAMO CCOCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532208 555801192 /nfs/dbraw/zinc/80/11/92/555801192.db2.gz BWYZFVSZPXLGIR-OAQYLSRUSA-N 1 1 460.688 5.120 50 0 JKAAMO CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532224 555801278 /nfs/dbraw/zinc/80/12/78/555801278.db2.gz SERZXRBTGGVFSU-IBGZPJMESA-N 1 1 452.624 5.507 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCc2ccc(C)cc2)C1 ZINC000020532210 555801379 /nfs/dbraw/zinc/80/13/79/555801379.db2.gz DHKOSQDIEVGQFP-DEOSSOPVSA-N 1 1 478.706 6.202 50 0 JKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000011784843 555816584 /nfs/dbraw/zinc/81/65/84/555816584.db2.gz XZDDQWVNEOLIND-CUNXSJBXSA-N 1 1 482.653 5.394 50 0 JKAAMO O=C([C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014539573 555829361 /nfs/dbraw/zinc/82/93/61/555829361.db2.gz MWLKGPBAWAXKEX-PWUYWRBVSA-N 1 1 468.641 5.468 50 0 JKAAMO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc2ccccc21 ZINC000011840524 555833210 /nfs/dbraw/zinc/83/32/10/555833210.db2.gz RDBPQDKUDBVAEE-KCWPFWIISA-N 1 1 496.636 5.703 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000020597935 555840146 /nfs/dbraw/zinc/84/01/46/555840146.db2.gz OJMDAGHJAIVIHA-UHFFFAOYSA-N 1 1 498.671 5.554 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868206 555845170 /nfs/dbraw/zinc/84/51/70/555845170.db2.gz NHFIKGJTKVFBJF-DEOSSOPVSA-N 1 1 454.680 6.110 50 0 JKAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000021795593 555856433 /nfs/dbraw/zinc/85/64/33/555856433.db2.gz NDFABZAASSACCH-UHFFFAOYSA-N 1 1 472.471 5.028 50 0 JKAAMO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021962763 555857910 /nfs/dbraw/zinc/85/79/10/555857910.db2.gz YCNOPCSKIARZTN-UHFFFAOYSA-N 1 1 469.560 5.347 50 0 JKAAMO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000011933963 555869688 /nfs/dbraw/zinc/86/96/88/555869688.db2.gz VPDMYLNJMHTRDQ-UHFFFAOYSA-N 1 1 495.538 5.119 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccc(Oc4ccc(Cl)cc4)c2)[C@@H]3CCC1 ZINC000022078060 555871968 /nfs/dbraw/zinc/87/19/68/555871968.db2.gz LRCFORHOLPKIQA-MUUNZHRXSA-N 1 1 457.017 7.679 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2cccc(Oc4ccc(Cl)cc4)c2)[C@@H]3CCC1 ZINC000022078060 555871972 /nfs/dbraw/zinc/87/19/72/555871972.db2.gz LRCFORHOLPKIQA-MUUNZHRXSA-N 1 1 457.017 7.679 50 0 JKAAMO COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982612 555877163 /nfs/dbraw/zinc/87/71/63/555877163.db2.gz AZZUPCMMKFANAH-QHCPKHFHSA-N 1 1 488.603 5.386 50 0 JKAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982608 555877237 /nfs/dbraw/zinc/87/72/37/555877237.db2.gz AZZUPCMMKFANAH-HSZRJFAPSA-N 1 1 488.603 5.386 50 0 JKAAMO CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012000957 555882470 /nfs/dbraw/zinc/88/24/70/555882470.db2.gz CZTBABKTNDPGEL-XMMPIXPASA-N 1 1 474.498 5.432 50 0 JKAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015307377 555895711 /nfs/dbraw/zinc/89/57/11/555895711.db2.gz XIQDXIYSYGZSOQ-SFHVURJKSA-N 1 1 460.386 5.115 50 0 JKAAMO O=C1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012149245 555921086 /nfs/dbraw/zinc/92/10/86/555921086.db2.gz GEQJNYIUGDXDDK-RDGATRHJSA-N 1 1 452.520 5.872 50 0 JKAAMO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccccn2)C3)C1 ZINC000012150139 555922277 /nfs/dbraw/zinc/92/22/77/555922277.db2.gz ZNTOCGWHQGSSLO-FQEVSTJZSA-N 1 1 492.019 5.157 50 0 JKAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000015669142 555923062 /nfs/dbraw/zinc/92/30/62/555923062.db2.gz XRGCVDUOJYQSHA-UHFFFAOYSA-N 1 1 452.356 5.014 50 0 JKAAMO COc1cccc(Cn2c(=O)c(C[N@@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)cc3ccc(F)cc32)c1 ZINC000012151085 555923493 /nfs/dbraw/zinc/92/34/93/555923493.db2.gz DZAFXIGXRYZSFC-HXUWFJFHSA-N 1 1 496.586 5.781 50 0 JKAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012151484 555924184 /nfs/dbraw/zinc/92/41/84/555924184.db2.gz CGEUXIVNSSOJCS-BVAGGSTKSA-N 1 1 468.626 5.244 50 0 JKAAMO C[N@@H+](C[C@@H](O)c1ccccc1)C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000012151833 555925222 /nfs/dbraw/zinc/92/52/22/555925222.db2.gz BGTPAVPOIQCZLT-GDLZYMKVSA-N 1 1 471.645 5.282 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000015671211 555927751 /nfs/dbraw/zinc/92/77/51/555927751.db2.gz BZANOJWRMKJHFL-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(N2CCCCC2)[nH+]1 ZINC000015671211 555927752 /nfs/dbraw/zinc/92/77/52/555927752.db2.gz BZANOJWRMKJHFL-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000012211384 555943049 /nfs/dbraw/zinc/94/30/49/555943049.db2.gz JZLXKIVUIFRQGM-DENIHFKCSA-N 1 1 476.646 5.259 50 0 JKAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000022918357 555972000 /nfs/dbraw/zinc/97/20/00/555972000.db2.gz ZGYQVMZTTCMRKW-VHPZCLMNSA-N 1 1 497.470 5.364 50 0 JKAAMO CCc1ccc2c(C[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000022926774 555977775 /nfs/dbraw/zinc/97/77/75/555977775.db2.gz UVSKWTPWAUCGEB-UHFFFAOYSA-N 1 1 474.551 5.541 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734912 555980718 /nfs/dbraw/zinc/98/07/18/555980718.db2.gz BCBHQWZNXSNNJI-NRFANRHFSA-N 1 1 493.677 5.095 50 0 JKAAMO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000015746602 555985022 /nfs/dbraw/zinc/98/50/22/555985022.db2.gz SXRLNAYNEAVBJD-UHFFFAOYSA-N 1 1 451.570 5.259 50 0 JKAAMO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022938225 555991365 /nfs/dbraw/zinc/99/13/65/555991365.db2.gz BGRKMZRUQQDIDK-DEOSSOPVSA-N 1 1 461.587 5.092 50 0 JKAAMO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022938251 555991382 /nfs/dbraw/zinc/99/13/82/555991382.db2.gz DIKHLYQSIKAOIQ-XMMPIXPASA-N 1 1 477.655 5.805 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2OC)CC1 ZINC000022938271 555991388 /nfs/dbraw/zinc/99/13/88/555991388.db2.gz AYINRUSHMXNOJK-MHZLTWQESA-N 1 1 469.585 5.421 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000022938289 555991529 /nfs/dbraw/zinc/99/15/29/555991529.db2.gz HEMRHUQQRWHXDS-AREMUKBSSA-N 1 1 490.003 5.038 50 0 JKAAMO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938330 555991798 /nfs/dbraw/zinc/99/17/98/555991798.db2.gz UDJCJCBUTYUQNQ-HHHXNRCGSA-N 1 1 485.653 6.052 50 0 JKAAMO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938316 555991858 /nfs/dbraw/zinc/99/18/58/555991858.db2.gz JCOYVTFARWCJHG-HHHXNRCGSA-N 1 1 469.585 5.339 50 0 JKAAMO CSc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000023129629 556018894 /nfs/dbraw/zinc/01/88/94/556018894.db2.gz OUFYTTIHAOSMJZ-SQJMNOBHSA-N 1 1 488.097 5.004 50 0 JKAAMO CSc1ccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)cc1 ZINC000023129629 556018897 /nfs/dbraw/zinc/01/88/97/556018897.db2.gz OUFYTTIHAOSMJZ-SQJMNOBHSA-N 1 1 488.097 5.004 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@H](C)C2 ZINC000012548944 556028043 /nfs/dbraw/zinc/02/80/43/556028043.db2.gz STEGQUGUEKRUIS-GJZGRUSLSA-N 1 1 482.568 5.527 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@H](C)C2 ZINC000012548944 556028047 /nfs/dbraw/zinc/02/80/47/556028047.db2.gz STEGQUGUEKRUIS-GJZGRUSLSA-N 1 1 482.568 5.527 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182453 556028729 /nfs/dbraw/zinc/02/87/29/556028729.db2.gz JUPBSRPLIQMFOF-GAJHUEQPSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182433 556028752 /nfs/dbraw/zinc/02/87/52/556028752.db2.gz GLFYGBMFPPBWIT-UZUQRXQVSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182464 556028760 /nfs/dbraw/zinc/02/87/60/556028760.db2.gz LKOFQHKTBSYWAR-UZUQRXQVSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182562 556029041 /nfs/dbraw/zinc/02/90/41/556029041.db2.gz LKJLMICAFMPHBE-GAJHUEQPSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182566 556029078 /nfs/dbraw/zinc/02/90/78/556029078.db2.gz LKJLMICAFMPHBE-HXOBKFHXSA-N 1 1 489.085 5.779 50 0 JKAAMO C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000012553606 556037232 /nfs/dbraw/zinc/03/72/32/556037232.db2.gz WSEKAOIJNLNYJY-HOTGVXAUSA-N 1 1 470.643 5.425 50 0 JKAAMO CC[NH+]1CCN(C(=O)/C(=C\c2ccccc2OC(F)F)c2ccc(-c3ccccc3)cc2)CC1 ZINC000012555246 556040378 /nfs/dbraw/zinc/04/03/78/556040378.db2.gz RXSNIXXJKAKANQ-QQTULTPQSA-N 1 1 462.540 5.660 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864880 556040718 /nfs/dbraw/zinc/04/07/18/556040718.db2.gz WVPIZLWGHPQIJI-NDEPHWFRSA-N 1 1 486.681 7.517 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)cc3OC)oc1C)[C@@H]2c1ccccc1 ZINC000015864881 556040813 /nfs/dbraw/zinc/04/08/13/556040813.db2.gz PKAYVXPVEMIFPL-HHHXNRCGSA-N 1 1 488.653 6.747 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)cc3OC)oc1C)[C@@H]2c1ccccc1 ZINC000015864881 556040815 /nfs/dbraw/zinc/04/08/15/556040815.db2.gz PKAYVXPVEMIFPL-HHHXNRCGSA-N 1 1 488.653 6.747 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864859 556040829 /nfs/dbraw/zinc/04/08/29/556040829.db2.gz SDPSDGFQEZEEIQ-AREMUKBSSA-N 1 1 458.627 6.739 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(C(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864886 556040916 /nfs/dbraw/zinc/04/09/16/556040916.db2.gz ADVSERGAZHECHV-NDEPHWFRSA-N 1 1 470.682 7.853 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc12)CC1CC1 ZINC000023426582 556053899 /nfs/dbraw/zinc/05/38/99/556053899.db2.gz ATTNMXACPXEQAL-UHFFFAOYSA-N 1 1 465.466 5.780 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000015881859 556054115 /nfs/dbraw/zinc/05/41/15/556054115.db2.gz ULCTYDUFXAXWGP-UHFFFAOYSA-N 1 1 483.659 6.273 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000015881859 556054118 /nfs/dbraw/zinc/05/41/18/556054118.db2.gz ULCTYDUFXAXWGP-UHFFFAOYSA-N 1 1 483.659 6.273 50 0 JKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000012563385 556058215 /nfs/dbraw/zinc/05/82/15/556058215.db2.gz CCVGPSSIPPYTFZ-NAKRPHOHSA-N 1 1 478.596 5.304 50 0 JKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000012563383 556058278 /nfs/dbraw/zinc/05/82/78/556058278.db2.gz CCVGPSSIPPYTFZ-LEAFIULHSA-N 1 1 478.596 5.304 50 0 JKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@H]43)cc12 ZINC000012564980 556061490 /nfs/dbraw/zinc/06/14/90/556061490.db2.gz VMZVMGWPJXZHKE-JTHBVZDNSA-N 1 1 477.033 5.805 50 0 JKAAMO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012566701 556065023 /nfs/dbraw/zinc/06/50/23/556065023.db2.gz GEBULHDGOPLLFD-DTQAZKPQSA-N 1 1 466.560 5.036 50 0 JKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1Cl ZINC000012568049 556068008 /nfs/dbraw/zinc/06/80/08/556068008.db2.gz TYGSYNWTOADMCS-RUZDIDTESA-N 1 1 493.991 5.085 50 0 JKAAMO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000012568339 556068770 /nfs/dbraw/zinc/06/87/70/556068770.db2.gz NUKPRZXGFKSUGN-UHFFFAOYSA-N 1 1 493.561 5.882 50 0 JKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1ccccc1 ZINC000015945250 556081283 /nfs/dbraw/zinc/08/12/83/556081283.db2.gz PKELBCOEMVSHPS-AREMUKBSSA-N 1 1 495.604 5.380 50 0 JKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1ccccc1 ZINC000015945250 556081287 /nfs/dbraw/zinc/08/12/87/556081287.db2.gz PKELBCOEMVSHPS-AREMUKBSSA-N 1 1 495.604 5.380 50 0 JKAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCCC3)CC1 ZINC000015946527 556082833 /nfs/dbraw/zinc/08/28/33/556082833.db2.gz WYGMGDAKQWYAEL-UHFFFAOYSA-N 1 1 490.467 5.312 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946377 556082940 /nfs/dbraw/zinc/08/29/40/556082940.db2.gz JFGVMHBIIWVOLQ-FQEVSTJZSA-N 1 1 462.402 6.510 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946563 556083180 /nfs/dbraw/zinc/08/31/80/556083180.db2.gz AJQGTBLRFBMPQT-FPOVZHCZSA-N 1 1 495.733 6.439 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946563 556083185 /nfs/dbraw/zinc/08/31/85/556083185.db2.gz AJQGTBLRFBMPQT-FPOVZHCZSA-N 1 1 495.733 6.439 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946819 556083509 /nfs/dbraw/zinc/08/35/09/556083509.db2.gz OYOSFXQMLGPBLC-PMACEKPBSA-N 1 1 481.706 6.273 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946819 556083512 /nfs/dbraw/zinc/08/35/12/556083512.db2.gz OYOSFXQMLGPBLC-PMACEKPBSA-N 1 1 481.706 6.273 50 0 JKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946718 556083610 /nfs/dbraw/zinc/08/36/10/556083610.db2.gz DNSDVZRCKQMJSK-UNMCSNQZSA-N 1 1 495.733 6.663 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946718 556083615 /nfs/dbraw/zinc/08/36/15/556083615.db2.gz DNSDVZRCKQMJSK-UNMCSNQZSA-N 1 1 495.733 6.663 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946817 556083709 /nfs/dbraw/zinc/08/37/09/556083709.db2.gz OYOSFXQMLGPBLC-UXHICEINSA-N 1 1 481.706 6.273 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946817 556083711 /nfs/dbraw/zinc/08/37/11/556083711.db2.gz OYOSFXQMLGPBLC-UXHICEINSA-N 1 1 481.706 6.273 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947150 556084685 /nfs/dbraw/zinc/08/46/85/556084685.db2.gz NYJZQKYGHPEYFE-RUZDIDTESA-N 1 1 483.593 5.927 50 0 JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947089 556084712 /nfs/dbraw/zinc/08/47/12/556084712.db2.gz HFLPWWSNCFGEIT-XMMPIXPASA-N 1 1 491.613 5.480 50 0 JKAAMO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc1 ZINC000015947093 556084723 /nfs/dbraw/zinc/08/47/23/556084723.db2.gz NVBIFOGZBGHMNA-HSZRJFAPSA-N 1 1 477.586 5.171 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947259 556084739 /nfs/dbraw/zinc/08/47/39/556084739.db2.gz STTCEFVROHXJET-OAQYLSRUSA-N 1 1 467.978 5.428 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947087 556084753 /nfs/dbraw/zinc/08/47/53/556084753.db2.gz HFLPWWSNCFGEIT-DEOSSOPVSA-N 1 1 491.613 5.480 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947257 556084772 /nfs/dbraw/zinc/08/47/72/556084772.db2.gz STTCEFVROHXJET-NRFANRHFSA-N 1 1 467.978 5.428 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947267 556085107 /nfs/dbraw/zinc/08/51/07/556085107.db2.gz SGYVOQDRWXHVFQ-XMMPIXPASA-N 1 1 491.613 5.481 50 0 JKAAMO COc1ccc(-n2c([C@H](C)[NH+]3CCCCC3)nn(CN3CCC[C@@H](C(F)(F)F)C3)c2=S)cc1 ZINC000023841803 556090845 /nfs/dbraw/zinc/09/08/45/556090845.db2.gz FDQSSOVAESQTPK-ZWKOTPCHSA-N 1 1 483.604 5.191 50 0 JKAAMO C[C@@H](c1nn(CN2CCC[C@@H](C(F)(F)F)C2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023841874 556090877 /nfs/dbraw/zinc/09/08/77/556090877.db2.gz PTEZGPDMXWTNOZ-ZWKOTPCHSA-N 1 1 453.578 5.182 50 0 JKAAMO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000012660127 556100755 /nfs/dbraw/zinc/10/07/55/556100755.db2.gz XVPULKCGCVRRPV-DHIUTWEWSA-N 1 1 465.634 5.598 50 0 biogenic JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012843165 556116458 /nfs/dbraw/zinc/11/64/58/556116458.db2.gz XCYHUBFCTBSHIM-UHFFFAOYSA-N 1 1 465.572 6.067 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012856895 556118082 /nfs/dbraw/zinc/11/80/82/556118082.db2.gz BWPYMFCEBZIBJC-UHFFFAOYSA-N 1 1 489.978 6.314 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000016041444 556121487 /nfs/dbraw/zinc/12/14/87/556121487.db2.gz VOUZVBHUPLKNBV-QILLFSRXSA-N 1 1 498.676 5.156 50 0 JKAAMO C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC000016044841 556125457 /nfs/dbraw/zinc/12/54/57/556125457.db2.gz RHFXDVXBIIUQLU-UHFFFAOYSA-N 1 1 450.696 6.184 50 0 JKAAMO O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012908969 556128037 /nfs/dbraw/zinc/12/80/37/556128037.db2.gz HUBYSJSUNXCRRI-HXUWFJFHSA-N 1 1 496.080 5.196 50 0 JKAAMO O=C(Nc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1)c1ccco1 ZINC000016399635 556137474 /nfs/dbraw/zinc/13/74/74/556137474.db2.gz VETPBQNVZMFPDQ-UHFFFAOYSA-N 1 1 465.553 5.079 50 0 JKAAMO COc1ccc(C[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@H](C)Cc2cccs2)cc1 ZINC000012921446 556140293 /nfs/dbraw/zinc/14/02/93/556140293.db2.gz KFSHSPYEWBVSES-MRXNPFEDSA-N 1 1 472.994 5.211 50 0 JKAAMO Cc1cc(-c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000024836403 556159306 /nfs/dbraw/zinc/15/93/06/556159306.db2.gz RPVLAXBFOGEHPO-RUZDIDTESA-N 1 1 457.578 5.018 50 0 JKAAMO Cc1cc(-c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000024836403 556159309 /nfs/dbraw/zinc/15/93/09/556159309.db2.gz RPVLAXBFOGEHPO-RUZDIDTESA-N 1 1 457.578 5.018 50 0 JKAAMO C[C@H](Cc1cccs1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000012950937 556160190 /nfs/dbraw/zinc/16/01/90/556160190.db2.gz DWRXHSGGVPESMY-GOSISDBHSA-N 1 1 470.038 5.175 50 0 JKAAMO COc1ccccc1/C=C(/C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000012952955 556160759 /nfs/dbraw/zinc/16/07/59/556160759.db2.gz DVPNBYJKOWRTEU-QCWLDUFUSA-N 1 1 488.631 6.170 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016916122 556180135 /nfs/dbraw/zinc/18/01/35/556180135.db2.gz IVJNCRUUIGRIJM-UHFFFAOYSA-N 1 1 470.019 5.684 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016916122 556180138 /nfs/dbraw/zinc/18/01/38/556180138.db2.gz IVJNCRUUIGRIJM-UHFFFAOYSA-N 1 1 470.019 5.684 50 0 JKAAMO O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025436049 556215382 /nfs/dbraw/zinc/21/53/82/556215382.db2.gz KEPMYWNITFXBAZ-HPNDGRJYSA-N 1 1 482.624 6.362 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113386 556218347 /nfs/dbraw/zinc/21/83/47/556218347.db2.gz RPQCIFKCWUNKEF-UHFFFAOYSA-N 1 1 461.656 6.363 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000025575535 556222599 /nfs/dbraw/zinc/22/25/99/556222599.db2.gz PCPLHJIVDHEEQI-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)c1 ZINC000025783995 556235698 /nfs/dbraw/zinc/23/56/98/556235698.db2.gz NUOVBOQYXRKQLB-RPWUZVMVSA-N 1 1 487.357 5.262 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017288787 556251394 /nfs/dbraw/zinc/25/13/94/556251394.db2.gz OZEJILUIHNNMFO-UHFFFAOYSA-N 1 1 454.020 6.309 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017288787 556251398 /nfs/dbraw/zinc/25/13/98/556251398.db2.gz OZEJILUIHNNMFO-UHFFFAOYSA-N 1 1 454.020 6.309 50 0 JKAAMO Cc1c(Cl)cccc1N1CC[NH+](C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571246 556257553 /nfs/dbraw/zinc/25/75/53/556257553.db2.gz BIYDTIHJIYXHHP-NRFANRHFSA-N 1 1 489.841 5.126 50 0 JKAAMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000013063073 556258968 /nfs/dbraw/zinc/25/89/68/556258968.db2.gz CPORBTSCXVGILK-OSPHWJPCSA-N 1 1 453.380 5.014 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000027062485 556273593 /nfs/dbraw/zinc/27/35/93/556273593.db2.gz LDMHMMCRJKBPKT-PGRDOPGGSA-N 1 1 461.389 5.667 50 0 JKAAMO CCOc1ccccc1N1CCN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CC1 ZINC000013095871 556288980 /nfs/dbraw/zinc/28/89/80/556288980.db2.gz ZIRFNBUUVUHQFV-UHFFFAOYSA-N 1 1 491.705 5.137 50 0 JKAAMO C[N@@H+](C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C1CCCCC1 ZINC000027527965 556289877 /nfs/dbraw/zinc/28/98/77/556289877.db2.gz UGYDDGRDALACKB-LJAQVGFWSA-N 1 1 488.675 7.754 50 0 JKAAMO COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl)[NH+](C)C ZINC000013108236 556305244 /nfs/dbraw/zinc/30/52/44/556305244.db2.gz BULDTGZPGKDGAL-LJQANCHMSA-N 1 1 495.838 5.241 50 0 JKAAMO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000028296602 556330999 /nfs/dbraw/zinc/33/09/99/556330999.db2.gz CPUSEDMZFOPLDE-KHMDJKJYSA-N 1 1 484.640 5.484 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(Cl)c2Cl)N2CC[NH+](C)CC2)c1C ZINC000019312328 556339820 /nfs/dbraw/zinc/33/98/20/556339820.db2.gz OYLSDSILHLYQTP-OAQYLSRUSA-N 1 1 478.445 5.854 50 0 JKAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000019708578 556361389 /nfs/dbraw/zinc/36/13/89/556361389.db2.gz SKKUTPXAKDCWRG-UHFFFAOYSA-N 1 1 496.101 6.219 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000019708578 556361396 /nfs/dbraw/zinc/36/13/96/556361396.db2.gz SKKUTPXAKDCWRG-UHFFFAOYSA-N 1 1 496.101 6.219 50 0 JKAAMO CCOc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OCC)c1OCC ZINC000019727831 556362694 /nfs/dbraw/zinc/36/26/94/556362694.db2.gz JLVHWWKLCJIMHY-UHFFFAOYSA-N 1 1 488.628 5.430 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)CCc3ccccc3)ccc2c1NC(=O)c1ccccc1F ZINC000019745547 556366026 /nfs/dbraw/zinc/36/60/26/556366026.db2.gz ILPSPPSFYRPIME-UHFFFAOYSA-N 1 1 477.561 5.149 50 0 JKAAMO CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000019790444 556370418 /nfs/dbraw/zinc/37/04/18/556370418.db2.gz XQLRPFPLIWMGFO-XMMPIXPASA-N 1 1 459.074 5.340 50 0 JKAAMO O=C(NCCSCc1ccccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019800347 556377579 /nfs/dbraw/zinc/37/75/79/556377579.db2.gz FCZPTECQJHGMMV-UHFFFAOYSA-N 1 1 451.035 5.562 50 0 JKAAMO Clc1ccc2c(c1)C[C@@H](N1CC[NH+](CCOc3ccccc3)CC1)c1ccccc1S2 ZINC000019802215 556378748 /nfs/dbraw/zinc/37/87/48/556378748.db2.gz BSBCEHLRWDJUHZ-XMMPIXPASA-N 1 1 451.035 5.785 50 0 JKAAMO CCCC[C@@H](CC)CNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823778 556394402 /nfs/dbraw/zinc/39/44/02/556394402.db2.gz KWYRADUOTCNGHO-XMMPIXPASA-N 1 1 463.666 5.033 50 0 JKAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622667 556452429 /nfs/dbraw/zinc/45/24/29/556452429.db2.gz USWJIOGXCFNOAN-HXUWFJFHSA-N 1 1 474.786 5.324 50 0 JKAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1Cl ZINC000032747994 556484681 /nfs/dbraw/zinc/48/46/81/556484681.db2.gz BAUYSLTXTJVADM-FQEVSTJZSA-N 1 1 451.057 5.007 50 0 JKAAMO C[NH+](C)[C@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1Cl ZINC000032747995 556484777 /nfs/dbraw/zinc/48/47/77/556484777.db2.gz BAUYSLTXTJVADM-HXUWFJFHSA-N 1 1 451.057 5.007 50 0 JKAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 ZINC000032836185 556507211 /nfs/dbraw/zinc/50/72/11/556507211.db2.gz QYVZLODPMBUKRN-KRWDZBQOSA-N 1 1 486.037 5.440 50 0 JKAAMO Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)s1 ZINC000032900657 556528102 /nfs/dbraw/zinc/52/81/02/556528102.db2.gz ULYSWJFZUIGXDU-UHFFFAOYSA-N 1 1 451.611 6.203 50 0 JKAAMO O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000032912915 556537246 /nfs/dbraw/zinc/53/72/46/556537246.db2.gz MYMBZIKSHLBOHO-UHFFFAOYSA-N 1 1 480.612 5.231 50 0 JKAAMO Cc1c(=O)c2cccc(C(=O)N[C@H](C)CC[NH+]3CCN(c4ccccc4)CC3)c2oc1-c1ccccc1 ZINC000032916673 556541001 /nfs/dbraw/zinc/54/10/01/556541001.db2.gz HTCPVOSDPKLMOA-JOCHJYFZSA-N 1 1 495.623 5.099 50 0 JKAAMO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)C1 ZINC000008583026 562940022 /nfs/dbraw/zinc/94/00/22/562940022.db2.gz KXSIXHMOZBWTNN-QHCPKHFHSA-N 1 1 467.617 5.481 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1 ZINC000008583036 562940083 /nfs/dbraw/zinc/94/00/83/562940083.db2.gz SVHBJCSOKXACJI-UHFFFAOYSA-N 1 1 479.559 5.562 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587627 562941198 /nfs/dbraw/zinc/94/11/98/562941198.db2.gz BVSUHJNFENPVAJ-LJQANCHMSA-N 1 1 456.055 6.357 50 0 JKAAMO CC[N@@H+](c1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1)C(C)C ZINC000018098181 563014410 /nfs/dbraw/zinc/01/44/10/563014410.db2.gz SBRSDPYJAXOXSF-OVVQPSECSA-N 1 1 469.585 5.566 50 0 JKAAMO CC[N@H+](c1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1)C(C)C ZINC000018098181 563014411 /nfs/dbraw/zinc/01/44/11/563014411.db2.gz SBRSDPYJAXOXSF-OVVQPSECSA-N 1 1 469.585 5.566 50 0 JKAAMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1 ZINC000034177219 563112400 /nfs/dbraw/zinc/11/24/00/563112400.db2.gz WJEOLQLKVOPQFV-UHFFFAOYSA-N 1 1 498.656 5.257 50 0 investigational JKAAMO Cc1ccc2c(cc[nH+]c2Nc2ccc(Cl)cc2)c1Nc1ncccc1-c1ncnc2[nH]cnc21 ZINC000039300628 563136624 /nfs/dbraw/zinc/13/66/24/563136624.db2.gz KKVYYGGCHJGEFJ-UHFFFAOYSA-N 1 1 478.947 6.412 50 0 in-vitro JKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000043965032 563171422 /nfs/dbraw/zinc/17/14/22/563171422.db2.gz LDMHMMCRJKBPKT-AVRDEDQJSA-N 1 1 461.389 5.667 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2cccnc2)CC1 ZINC000054105783 569589269 /nfs/dbraw/zinc/58/92/69/569589269.db2.gz SQXATYBUFOLKEP-XMMPIXPASA-N 1 1 477.630 5.377 50 0 JKAAMO Cc1oc2cc(OCC[NH+]3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000054307046 569589740 /nfs/dbraw/zinc/58/97/40/569589740.db2.gz UJEQGMVRSSEGDA-UHFFFAOYSA-N 1 1 474.988 5.623 50 0 JKAAMO Cc1nn2c(nc(C(C)C)cc2N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054284484 569589799 /nfs/dbraw/zinc/58/97/99/569589799.db2.gz YHFZEBXSSPPLEZ-UHFFFAOYSA-N 1 1 460.025 5.804 50 0 JKAAMO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284496 569589817 /nfs/dbraw/zinc/58/98/17/569589817.db2.gz FXYNXZCATXQRKO-UHFFFAOYSA-N 1 1 452.389 5.334 50 0 JKAAMO Cc1ccc(C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc2)cc1 ZINC000055182512 569591000 /nfs/dbraw/zinc/59/10/00/569591000.db2.gz PCQAXVMXQDOEGI-UHFFFAOYSA-N 1 1 478.036 5.170 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1ccccc1 ZINC000055283473 569591533 /nfs/dbraw/zinc/59/15/33/569591533.db2.gz KHXITVDDOYJKHA-HNNXBMFYSA-N 1 1 465.600 5.590 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)C1(c2ccccc2)CC1 ZINC000055327176 569591633 /nfs/dbraw/zinc/59/16/33/569591633.db2.gz WJSWRQZLEIWBKE-UHFFFAOYSA-N 1 1 485.609 5.385 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000055545170 569592176 /nfs/dbraw/zinc/59/21/76/569592176.db2.gz DZFOPYRCAMCXFO-UHFFFAOYSA-N 1 1 465.572 6.067 50 0 JKAAMO COc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OCc1ccccc1 ZINC000008697919 569593674 /nfs/dbraw/zinc/59/36/74/569593674.db2.gz ZCPUNUDOSMRHEV-UHFFFAOYSA-N 1 1 456.508 5.615 50 0 JKAAMO CCn1c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000057273792 569595360 /nfs/dbraw/zinc/59/53/60/569595360.db2.gz RYCYQKZDIAHTDP-UHFFFAOYSA-N 1 1 488.657 5.110 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000057285488 569595457 /nfs/dbraw/zinc/59/54/57/569595457.db2.gz HYHMLENPNZQARQ-UHFFFAOYSA-N 1 1 495.879 5.610 50 0 JKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)cc1Cl ZINC000008710052 569595654 /nfs/dbraw/zinc/59/56/54/569595654.db2.gz LCZQAVYVNVJZFW-IQGLISFBSA-N 1 1 460.965 5.565 50 0 JKAAMO c1ccc(SCc2nc3sc4c(c3c(N3CC[NH+](Cc5ccccn5)CC3)n2)CCC4)cc1 ZINC000057318505 569598610 /nfs/dbraw/zinc/59/86/10/569598610.db2.gz VLSXBVPIJBLNLH-UHFFFAOYSA-N 1 1 473.671 5.190 50 0 JKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000057358746 569599259 /nfs/dbraw/zinc/59/92/59/569599259.db2.gz GGOBEZHURAEBFF-RUZDIDTESA-N 1 1 484.040 5.143 50 0 JKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000032974945 569606025 /nfs/dbraw/zinc/60/60/25/569606025.db2.gz HZXSUZLJMGCWKL-UHFFFAOYSA-N 1 1 458.650 5.551 50 0 JKAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984028 569607262 /nfs/dbraw/zinc/60/72/62/569607262.db2.gz PHUSKVXGMXQXPT-OJLHXUGZSA-N 1 1 490.003 5.352 50 0 JKAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377481 569608911 /nfs/dbraw/zinc/60/89/11/569608911.db2.gz IPGUQZDKRRNXQU-QGZVFWFLSA-N 1 1 467.963 5.530 50 0 JKAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccccc1Cl ZINC000032988562 569609804 /nfs/dbraw/zinc/60/98/04/569609804.db2.gz RAKBTKZTIYYWIJ-QHCPKHFHSA-N 1 1 488.097 5.161 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000063666788 569616009 /nfs/dbraw/zinc/61/60/09/569616009.db2.gz VJVYHYJEFYGNBL-UHFFFAOYSA-N 1 1 482.068 5.895 50 0 JKAAMO Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)cc3)ncn2)c1 ZINC000033010675 569616862 /nfs/dbraw/zinc/61/68/62/569616862.db2.gz MJRCULDTUNBAJE-MHZLTWQESA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)cc3)ncn2)c1 ZINC000033010675 569616863 /nfs/dbraw/zinc/61/68/63/569616863.db2.gz MJRCULDTUNBAJE-MHZLTWQESA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000033014179 569617969 /nfs/dbraw/zinc/61/79/69/569617969.db2.gz DYDWQWMFIYWVJS-UHFFFAOYSA-N 1 1 470.499 5.210 50 0 JKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)c3)n2)cc1 ZINC000033025255 569620575 /nfs/dbraw/zinc/62/05/75/569620575.db2.gz DQEGNCDTSLQGOG-SANMLTNESA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)c3)n2)cc1 ZINC000033025255 569620577 /nfs/dbraw/zinc/62/05/77/569620577.db2.gz DQEGNCDTSLQGOG-SANMLTNESA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)c3)n2)cc1 ZINC000033025256 569620636 /nfs/dbraw/zinc/62/06/36/569620636.db2.gz GHHSWAAQFIJUSD-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666429 569623854 /nfs/dbraw/zinc/62/38/54/569623854.db2.gz JJQHPANFCZTJIG-HXUWFJFHSA-N 1 1 467.038 5.596 50 0 JKAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]c(C)n1 ZINC000033326875 569624137 /nfs/dbraw/zinc/62/41/37/569624137.db2.gz RABVLQNJVPOYRO-UHFFFAOYSA-N 1 1 479.528 5.194 50 0 JKAAMO Cc1ccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC4CCCC4)s3)CC2)cc1 ZINC000064746743 569625672 /nfs/dbraw/zinc/62/56/72/569625672.db2.gz QUUBZJPUCWIYRD-UHFFFAOYSA-N 1 1 472.662 5.443 50 0 JKAAMO Cc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5ccc(F)cc5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746767 569625674 /nfs/dbraw/zinc/62/56/74/569625674.db2.gz CJBXUSACUXULDL-UHFFFAOYSA-N 1 1 478.641 5.438 50 0 JKAAMO Cc1ccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC(C)(C)C)s3)CC2)cc1 ZINC000064746786 569625793 /nfs/dbraw/zinc/62/57/93/569625793.db2.gz YGOGWKOOIJMZLP-UHFFFAOYSA-N 1 1 460.651 5.299 50 0 JKAAMO CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2sc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000064746771 569625819 /nfs/dbraw/zinc/62/58/19/569625819.db2.gz NAEBBONHYYFYSA-UHFFFAOYSA-N 1 1 464.614 5.130 50 0 JKAAMO Cc1cccc(-c2nc3sc(N4CC[NH+](Cc5ccccc5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064746808 569625876 /nfs/dbraw/zinc/62/58/76/569625876.db2.gz YQJBTPXETGAYFM-UHFFFAOYSA-N 1 1 460.651 5.299 50 0 JKAAMO COc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5cccc(C)c5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746813 569625936 /nfs/dbraw/zinc/62/59/36/569625936.db2.gz FSVLDRZSCKYNCO-UHFFFAOYSA-N 1 1 490.677 5.307 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801227 569631370 /nfs/dbraw/zinc/63/13/70/569631370.db2.gz JULSAPFPCOQMGL-UHFFFAOYSA-N 1 1 470.371 5.881 50 0 JKAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCCC3)n2)cc1 ZINC000064800988 569631372 /nfs/dbraw/zinc/63/13/72/569631372.db2.gz MJJZWDAOMREQHU-UHFFFAOYSA-N 1 1 451.958 5.433 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800961 569631436 /nfs/dbraw/zinc/63/14/36/569631436.db2.gz LGTSJVYVKHEJHM-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800978 569631456 /nfs/dbraw/zinc/63/14/56/569631456.db2.gz SEVIRMMOOZPZTM-UHFFFAOYSA-N 1 1 456.344 5.127 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801678 569631568 /nfs/dbraw/zinc/63/15/68/569631568.db2.gz YAGHCBMMJWBYFV-UHFFFAOYSA-N 1 1 474.565 5.688 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801691 569631657 /nfs/dbraw/zinc/63/16/57/569631657.db2.gz DTBGHAMSTKKAIC-UHFFFAOYSA-N 1 1 452.509 6.195 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801854 569631665 /nfs/dbraw/zinc/63/16/65/569631665.db2.gz MPHRHHYJWSQMNT-UHFFFAOYSA-N 1 1 465.623 5.227 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(F)cc2)CC1 ZINC000033741056 569633093 /nfs/dbraw/zinc/63/30/93/569633093.db2.gz SJOWQRHOEVUKQE-NDEPHWFRSA-N 1 1 483.631 5.823 50 0 JKAAMO C[N@@H+](CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064816530 569633540 /nfs/dbraw/zinc/63/35/40/569633540.db2.gz MXEJRBMLDLFLNC-UHFFFAOYSA-N 1 1 452.023 5.662 50 0 JKAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816537 569633559 /nfs/dbraw/zinc/63/35/59/569633559.db2.gz YZBXCZLGFGKXPD-JOCHJYFZSA-N 1 1 466.050 6.050 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000033891531 569637059 /nfs/dbraw/zinc/63/70/59/569637059.db2.gz XVPULKCGCVRRPV-GOTSBHOMSA-N 1 1 465.634 5.598 50 0 biogenic JKAAMO Cc1ccc(-c2ccc(SCc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)nn2)cc1 ZINC000033941922 569639341 /nfs/dbraw/zinc/63/93/41/569639341.db2.gz IRQVCWPZGRXJBJ-JOCHJYFZSA-N 1 1 474.674 5.739 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667443 569640386 /nfs/dbraw/zinc/64/03/86/569640386.db2.gz ZEUYIIIRULQHNS-KYJUHHDHSA-N 1 1 488.647 6.293 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667443 569640389 /nfs/dbraw/zinc/64/03/89/569640389.db2.gz ZEUYIIIRULQHNS-KYJUHHDHSA-N 1 1 488.647 6.293 50 0 JKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccccc1 ZINC000034667460 569640421 /nfs/dbraw/zinc/64/04/21/569640421.db2.gz IODZPVPNZNJXAE-IPBJYNAHSA-N 1 1 494.610 6.057 50 0 JKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccccc1 ZINC000034667460 569640422 /nfs/dbraw/zinc/64/04/22/569640422.db2.gz IODZPVPNZNJXAE-IPBJYNAHSA-N 1 1 494.610 6.057 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671635 569640716 /nfs/dbraw/zinc/64/07/16/569640716.db2.gz CAERHAIDLRUAHF-LOYHVIPDSA-N 1 1 470.657 6.072 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669888 569640756 /nfs/dbraw/zinc/64/07/56/569640756.db2.gz QLGTWQMVYIQEOU-LEAFIULHSA-N 1 1 458.602 5.016 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669893 569640828 /nfs/dbraw/zinc/64/08/28/569640828.db2.gz QLGTWQMVYIQEOU-NAKRPHOHSA-N 1 1 458.602 5.016 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)c1 ZINC000034669816 569640831 /nfs/dbraw/zinc/64/08/31/569640831.db2.gz QRDBQBIDDYPYCH-JYFHCDHNSA-N 1 1 482.546 5.984 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671638 569640852 /nfs/dbraw/zinc/64/08/52/569640852.db2.gz QPSONGGBLIJULB-VMPREFPWSA-N 1 1 472.629 5.063 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671675 569640905 /nfs/dbraw/zinc/64/09/05/569640905.db2.gz WSKMESBHYOFRMV-URLMMPGGSA-N 1 1 456.630 5.825 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671655 569640912 /nfs/dbraw/zinc/64/09/12/569640912.db2.gz WIGVXPPVVIUFFQ-FIRIVFDPSA-N 1 1 494.635 6.210 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@H]1CCCO1 ZINC000034671749 569640938 /nfs/dbraw/zinc/64/09/38/569640938.db2.gz WEXYDHIQPYZQSU-LMERMFHRSA-N 1 1 498.667 5.595 50 0 JKAAMO CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671704 569641026 /nfs/dbraw/zinc/64/10/26/569641026.db2.gz SQTNFYWNXNCNAR-FQLXRVMXSA-N 1 1 456.630 5.826 50 0 JKAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681633 569643307 /nfs/dbraw/zinc/64/33/07/569643307.db2.gz RFFGEAKAIWWXRG-UHFFFAOYSA-N 1 1 472.633 5.352 50 0 JKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(F)cc4F)CC3)nc2)cc1 ZINC000034681644 569643378 /nfs/dbraw/zinc/64/33/78/569643378.db2.gz DOUJFTLKQXALFR-UHFFFAOYSA-N 1 1 478.587 5.622 50 0 JKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4F)CC3)nc2)cc1 ZINC000034681644 569643379 /nfs/dbraw/zinc/64/33/79/569643379.db2.gz DOUJFTLKQXALFR-UHFFFAOYSA-N 1 1 478.587 5.622 50 0 JKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681642 569643381 /nfs/dbraw/zinc/64/33/81/569643381.db2.gz GJBMIAHBKZGAQT-UHFFFAOYSA-N 1 1 484.688 6.467 50 0 JKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccccc1 ZINC000034681876 569643520 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JKAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034740152 569655267 /nfs/dbraw/zinc/65/52/67/569655267.db2.gz BHKDRWYGXDNCDH-JWQCQUIFSA-N 1 1 478.583 5.246 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@@H](C(=O)Nc3ccc(OC)cc3OC)C[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000034740142 569655295 /nfs/dbraw/zinc/65/52/95/569655295.db2.gz NCJHHCKKVKBGOT-PKTZIBPZSA-N 1 1 492.591 5.404 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(OC)cc3OC)C[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000034740145 569655389 /nfs/dbraw/zinc/65/53/89/569655389.db2.gz NCJHHCKKVKBGOT-XZOQPEGZSA-N 1 1 492.591 5.404 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740476 569655401 /nfs/dbraw/zinc/65/54/01/569655401.db2.gz IRGAHQCHJJNPON-LADGPHEKSA-N 1 1 478.574 6.201 50 0 JKAAMO Cc1ccc([C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000034740756 569655552 /nfs/dbraw/zinc/65/55/52/569655552.db2.gz SVELAAHXTNADKY-IXCJQBJRSA-N 1 1 464.669 6.475 50 0 JKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000034829288 569663015 /nfs/dbraw/zinc/66/30/15/569663015.db2.gz AYZKSPCVUKVWQK-RQLJPHHTSA-N 1 1 483.587 6.706 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034829827 569663330 /nfs/dbraw/zinc/66/33/30/569663330.db2.gz LVRXZAMUFWEVFT-IWHLBADBSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034829827 569663331 /nfs/dbraw/zinc/66/33/31/569663331.db2.gz LVRXZAMUFWEVFT-IWHLBADBSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000034829743 569663360 /nfs/dbraw/zinc/66/33/60/569663360.db2.gz SNTWMDCMYSZVNZ-LXWOLXCRSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000034829743 569663361 /nfs/dbraw/zinc/66/33/61/569663361.db2.gz SNTWMDCMYSZVNZ-LXWOLXCRSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034829825 569663485 /nfs/dbraw/zinc/66/34/85/569663485.db2.gz LVRXZAMUFWEVFT-LXWOLXCRSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034829825 569663486 /nfs/dbraw/zinc/66/34/86/569663486.db2.gz LVRXZAMUFWEVFT-LXWOLXCRSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034830127 569663594 /nfs/dbraw/zinc/66/35/94/569663594.db2.gz AEDVPEYTTPAATJ-DFHRPNOPSA-N 1 1 481.706 5.115 50 0 JKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830391 569663859 /nfs/dbraw/zinc/66/38/59/569663859.db2.gz AYQFJXQPCMBHOI-CUNXSJBXSA-N 1 1 493.717 5.034 50 0 JKAAMO CCCCCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830432 569663949 /nfs/dbraw/zinc/66/39/49/569663949.db2.gz GJSCURGNMIPHTM-LXFBAYGMSA-N 1 1 495.733 5.424 50 0 JKAAMO CCN1CCN(c2c(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836365 569665342 /nfs/dbraw/zinc/66/53/42/569665342.db2.gz JRAJMENNSBKOAB-UHFFFAOYSA-N 1 1 498.090 5.773 50 0 JKAAMO CCN1CCN(c2c(C[N@H+](Cc3ccc(Cl)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836365 569665343 /nfs/dbraw/zinc/66/53/43/569665343.db2.gz JRAJMENNSBKOAB-UHFFFAOYSA-N 1 1 498.090 5.773 50 0 JKAAMO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@H+](Cc1cccs1)[C@@H](C)CC ZINC000034836344 569665369 /nfs/dbraw/zinc/66/53/69/569665369.db2.gz VJFHNUKOYVDIQW-FQEVSTJZSA-N 1 1 469.674 5.188 50 0 JKAAMO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000065114059 569665465 /nfs/dbraw/zinc/66/54/65/569665465.db2.gz CZGAQXLZFGBWHO-UHFFFAOYSA-N 1 1 470.642 5.152 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CCCc1ccccc1)C(C)C ZINC000034836629 569666009 /nfs/dbraw/zinc/66/60/09/569666009.db2.gz KVVIKUDKXDEVKM-UHFFFAOYSA-N 1 1 473.709 5.338 50 0 JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)C[C@H](C)c1ccccc1 ZINC000034836899 569666263 /nfs/dbraw/zinc/66/62/63/569666263.db2.gz WZJFLBYOJGJPJF-VWLOTQADSA-N 1 1 473.709 5.592 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)C[C@H](C)c1ccccc1 ZINC000034836899 569666264 /nfs/dbraw/zinc/66/62/64/569666264.db2.gz WZJFLBYOJGJPJF-VWLOTQADSA-N 1 1 473.709 5.592 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1 ZINC000034836880 569666408 /nfs/dbraw/zinc/66/64/08/569666408.db2.gz MWWQZTSQIYMGMO-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1 ZINC000034836880 569666410 /nfs/dbraw/zinc/66/64/10/569666410.db2.gz MWWQZTSQIYMGMO-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000034836958 569666494 /nfs/dbraw/zinc/66/64/94/569666494.db2.gz HJKARHKGQXPOAD-XMMPIXPASA-N 1 1 471.693 5.345 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000034836958 569666495 /nfs/dbraw/zinc/66/64/95/569666495.db2.gz HJKARHKGQXPOAD-XMMPIXPASA-N 1 1 471.693 5.345 50 0 JKAAMO COc1ccc2cc3cc(C(=O)NC[C@@H]4CC[N@@H+](Cc5ccc(C)cc5)C4)sc3nc2c1Cl ZINC000065330828 569674958 /nfs/dbraw/zinc/67/49/58/569674958.db2.gz UECXQGWFDRYFEJ-SFHVURJKSA-N 1 1 480.033 5.672 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000035227159 569678608 /nfs/dbraw/zinc/67/86/08/569678608.db2.gz BKJKUXDFLNNHRO-SQHAQQRYSA-N 1 1 483.015 5.949 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(Oc3ccccc3)c2)CC1 ZINC000035371204 569682886 /nfs/dbraw/zinc/68/28/86/569682886.db2.gz HRAYOGREDVOHDR-SANMLTNESA-N 1 1 453.586 5.646 50 0 JKAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)c1 ZINC000068767360 569692141 /nfs/dbraw/zinc/69/21/41/569692141.db2.gz XFZQRPNACIDVBT-XMMPIXPASA-N 1 1 491.657 5.701 50 0 JKAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)c1 ZINC000068767360 569692143 /nfs/dbraw/zinc/69/21/43/569692143.db2.gz XFZQRPNACIDVBT-XMMPIXPASA-N 1 1 491.657 5.701 50 0 JKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2C)CC[N@H+](C)C4)cc1 ZINC000035426980 569693974 /nfs/dbraw/zinc/69/39/74/569693974.db2.gz BDUDGHWIADSUGV-MHZLTWQESA-N 1 1 498.652 5.981 50 0 JKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2C)CC[N@@H+](C)C4)cc1 ZINC000035426980 569693975 /nfs/dbraw/zinc/69/39/75/569693975.db2.gz BDUDGHWIADSUGV-MHZLTWQESA-N 1 1 498.652 5.981 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CC[N@H+](C)C3 ZINC000035426972 569693980 /nfs/dbraw/zinc/69/39/80/569693980.db2.gz ANGHYFUDEPRDNS-LJQANCHMSA-N 1 1 474.552 6.044 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CC[N@@H+](C)C3 ZINC000035426972 569693981 /nfs/dbraw/zinc/69/39/81/569693981.db2.gz ANGHYFUDEPRDNS-LJQANCHMSA-N 1 1 474.552 6.044 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427002 569694025 /nfs/dbraw/zinc/69/40/25/569694025.db2.gz LQLZEZQQHFGNTL-RUZDIDTESA-N 1 1 489.044 6.317 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427002 569694026 /nfs/dbraw/zinc/69/40/26/569694026.db2.gz LQLZEZQQHFGNTL-RUZDIDTESA-N 1 1 489.044 6.317 50 0 JKAAMO CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427029 569694189 /nfs/dbraw/zinc/69/41/89/569694189.db2.gz DICBSWQELCUFTK-XMMPIXPASA-N 1 1 483.081 5.841 50 0 JKAAMO CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427029 569694190 /nfs/dbraw/zinc/69/41/90/569694190.db2.gz DICBSWQELCUFTK-XMMPIXPASA-N 1 1 483.081 5.841 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427067 569694201 /nfs/dbraw/zinc/69/42/01/569694201.db2.gz WQDCCPSAJMHSTL-VWLOTQADSA-N 1 1 489.044 6.317 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427067 569694202 /nfs/dbraw/zinc/69/42/02/569694202.db2.gz WQDCCPSAJMHSTL-VWLOTQADSA-N 1 1 489.044 6.317 50 0 JKAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427037 569694250 /nfs/dbraw/zinc/69/42/50/569694250.db2.gz VKZMMSCUHXKZOV-HSZRJFAPSA-N 1 1 469.054 5.451 50 0 JKAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427037 569694251 /nfs/dbraw/zinc/69/42/51/569694251.db2.gz VKZMMSCUHXKZOV-HSZRJFAPSA-N 1 1 469.054 5.451 50 0 JKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427065 569694290 /nfs/dbraw/zinc/69/42/90/569694290.db2.gz FIRUAKBEWBFWPF-AREMUKBSSA-N 1 1 484.625 5.672 50 0 JKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427065 569694291 /nfs/dbraw/zinc/69/42/91/569694291.db2.gz FIRUAKBEWBFWPF-AREMUKBSSA-N 1 1 484.625 5.672 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000035427058 569694304 /nfs/dbraw/zinc/69/43/04/569694304.db2.gz LLHSQMHDWCATKN-VWLOTQADSA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000035427058 569694306 /nfs/dbraw/zinc/69/43/06/569694306.db2.gz LLHSQMHDWCATKN-VWLOTQADSA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427104 569694330 /nfs/dbraw/zinc/69/43/30/569694330.db2.gz YPBJYDPFLFBGRV-RUZDIDTESA-N 1 1 460.647 5.474 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427104 569694332 /nfs/dbraw/zinc/69/43/32/569694332.db2.gz YPBJYDPFLFBGRV-RUZDIDTESA-N 1 1 460.647 5.474 50 0 JKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)c1C ZINC000035427076 569694343 /nfs/dbraw/zinc/69/43/43/569694343.db2.gz DRHHNKPPXUAHIL-MHZLTWQESA-N 1 1 482.653 6.281 50 0 JKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)c1C ZINC000035427076 569694345 /nfs/dbraw/zinc/69/43/45/569694345.db2.gz DRHHNKPPXUAHIL-MHZLTWQESA-N 1 1 482.653 6.281 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427429 569694464 /nfs/dbraw/zinc/69/44/64/569694464.db2.gz GJTKIVGHOUVHFF-MHZLTWQESA-N 1 1 482.653 6.362 50 0 JKAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000035454686 569697524 /nfs/dbraw/zinc/69/75/24/569697524.db2.gz KQAWKNACYTWSIN-OAQYLSRUSA-N 1 1 496.721 5.050 50 0 JKAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000035454683 569697567 /nfs/dbraw/zinc/69/75/67/569697567.db2.gz KQAWKNACYTWSIN-NRFANRHFSA-N 1 1 496.721 5.050 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000035569237 569704914 /nfs/dbraw/zinc/70/49/14/569704914.db2.gz DUGZYNAJVLVDKS-QPPBQGQZSA-N 1 1 454.599 5.357 50 0 JKAAMO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079189465 569707056 /nfs/dbraw/zinc/70/70/56/569707056.db2.gz JIAANJPLIOZPLQ-YADARESESA-N 1 1 478.633 5.377 50 0 biogenic JKAAMO Cc1cccn2c(=O)c(CC[N@H+]3CCCc4c(c5cc(F)ccc5n4-c4ccc(F)cc4)C3)c(C)nc12 ZINC000085393573 569710033 /nfs/dbraw/zinc/71/00/33/569710033.db2.gz RRVOFYHSMRVZMG-UHFFFAOYSA-N 1 1 498.577 5.524 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000085422713 569710922 /nfs/dbraw/zinc/71/09/22/569710922.db2.gz UJWHPSWMIZKZHP-UHFFFAOYSA-N 1 1 494.664 5.980 50 0 JKAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840653 569713745 /nfs/dbraw/zinc/71/37/45/569713745.db2.gz PWZPCVANTXBUTN-MUUNZHRXSA-N 1 1 476.661 5.540 50 0 JKAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035840452 569713772 /nfs/dbraw/zinc/71/37/72/569713772.db2.gz WEHJCTGSVGTPCK-HHHXNRCGSA-N 1 1 462.634 5.367 50 0 JKAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccn2Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035840756 569713783 /nfs/dbraw/zinc/71/37/83/569713783.db2.gz PEMUJRCBOGFPBW-MHZLTWQESA-N 1 1 462.634 5.428 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840800 569713951 /nfs/dbraw/zinc/71/39/51/569713951.db2.gz MSOVFXNSZPMRHS-NDEPHWFRSA-N 1 1 450.598 5.388 50 0 JKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844725 569715250 /nfs/dbraw/zinc/71/52/50/569715250.db2.gz QHWCZUBVSKOUJV-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844748 569715278 /nfs/dbraw/zinc/71/52/78/569715278.db2.gz IMSXPLCRLGUNCF-UHFFFAOYSA-N 1 1 453.026 6.115 50 0 JKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(Br)cc1 ZINC000035844807 569715356 /nfs/dbraw/zinc/71/53/56/569715356.db2.gz ITUHGPNZKMGMCG-OAQYLSRUSA-N 1 1 497.477 6.223 50 0 JKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844784 569715406 /nfs/dbraw/zinc/71/54/06/569715406.db2.gz GTBSBYQPZYIBHC-NRFANRHFSA-N 1 1 453.026 6.113 50 0 JKAAMO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844937 569715666 /nfs/dbraw/zinc/71/56/66/569715666.db2.gz VPHCSLCCGRMDNO-UHFFFAOYSA-N 1 1 484.587 5.366 50 0 JKAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844937 569715667 /nfs/dbraw/zinc/71/56/67/569715667.db2.gz VPHCSLCCGRMDNO-UHFFFAOYSA-N 1 1 484.587 5.366 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2cc(F)cc(F)c2)CC2CC2)o1 ZINC000035845020 569715826 /nfs/dbraw/zinc/71/58/26/569715826.db2.gz RZPQJFSDECEZTK-UHFFFAOYSA-N 1 1 452.545 5.350 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2cc(F)cc(F)c2)CC2CC2)o1 ZINC000035845020 569715827 /nfs/dbraw/zinc/71/58/27/569715827.db2.gz RZPQJFSDECEZTK-UHFFFAOYSA-N 1 1 452.545 5.350 50 0 JKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000086048492 569716832 /nfs/dbraw/zinc/71/68/32/569716832.db2.gz FHWACCDMZWXEFW-UHFFFAOYSA-N 1 1 455.002 5.493 50 0 JKAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000086048479 569716835 /nfs/dbraw/zinc/71/68/35/569716835.db2.gz RYLZPWIMWQJBGB-UHFFFAOYSA-N 1 1 455.400 5.618 50 0 JKAAMO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871451 569718690 /nfs/dbraw/zinc/71/86/90/569718690.db2.gz WVMBOVLKZUQLQJ-AHWVRZQESA-N 1 1 479.546 5.250 50 0 JKAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCCC4)C[C@H]23)cc1 ZINC000035871550 569718787 /nfs/dbraw/zinc/71/87/87/569718787.db2.gz ZBSIKRFCXQUJCR-ILBGXUMGSA-N 1 1 487.566 5.348 50 0 JKAAMO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871432 569718850 /nfs/dbraw/zinc/71/88/50/569718850.db2.gz XRYZNNMREQSSSX-AOYPEHQESA-N 1 1 497.536 5.024 50 0 JKAAMO Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000089677975 569719593 /nfs/dbraw/zinc/71/95/93/569719593.db2.gz GAZRKTJPWXQEDN-MHZLTWQESA-N 1 1 493.611 5.604 50 0 JKAAMO O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035888554 569721273 /nfs/dbraw/zinc/72/12/73/569721273.db2.gz IBZOAOYAYLUYLR-VWLOTQADSA-N 1 1 491.557 6.053 50 0 JKAAMO C[NH+]1CCN(c2ncc(-c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3)cc2C(F)(F)F)CC1 ZINC000091695096 569721293 /nfs/dbraw/zinc/72/12/93/569721293.db2.gz HIWGWTQZKXEWHC-UHFFFAOYSA-N 1 1 475.898 5.392 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888684 569721321 /nfs/dbraw/zinc/72/13/21/569721321.db2.gz HEAAGZAQDAKOTB-MHZLTWQESA-N 1 1 486.059 6.250 50 0 JKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000095398218 569723103 /nfs/dbraw/zinc/72/31/03/569723103.db2.gz QSOCLADLLOBEPI-HSZRJFAPSA-N 1 1 473.620 5.543 50 0 JKAAMO O=C(COc1ccc(Oc2ccccn2)cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095394252 569723191 /nfs/dbraw/zinc/72/31/91/569723191.db2.gz MPUGIXRJMJPLNK-UHFFFAOYSA-N 1 1 486.399 5.340 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)c3cccc(OC)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926213 569729625 /nfs/dbraw/zinc/72/96/25/569729625.db2.gz GQBMKBREKIPLGK-UHFFFAOYSA-N 1 1 460.622 5.008 50 0 JKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)[C@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926211 569729677 /nfs/dbraw/zinc/72/96/77/569729677.db2.gz SKDMGSISAGKWGJ-AREMUKBSSA-N 1 1 472.677 5.880 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2cccc(Cl)c2)CC1 ZINC000095925480 569730137 /nfs/dbraw/zinc/73/01/37/569730137.db2.gz PGHXLPTUEJPAJZ-UHFFFAOYSA-N 1 1 484.069 5.114 50 0 JKAAMO C[N@H+]1CC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)C1 ZINC000096028149 569732113 /nfs/dbraw/zinc/73/21/13/569732113.db2.gz OTWUBKBEXROCOU-LJAQVGFWSA-N 1 1 461.605 6.052 50 0 JKAAMO CSc1ccc(Cl)c(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183740 569737180 /nfs/dbraw/zinc/73/71/80/569737180.db2.gz XPUGUXJEAPHVJJ-AREMUKBSSA-N 1 1 465.062 6.226 50 0 JKAAMO COc1ccc2c(c1CSc1ccccn1)NC(=[NH2+])C1=COc3n[nH]c(-c4ccccc4)c3[C@H]21 ZINC000096581878 569741814 /nfs/dbraw/zinc/74/18/14/569741814.db2.gz ONDFBZVBDPHIHB-OAQYLSRUSA-N 1 1 467.554 5.183 50 0 JKAAMO Cn1cc(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1cccc2Cl ZINC000096580977 569741822 /nfs/dbraw/zinc/74/18/22/569741822.db2.gz HKQBVKUUMQGFIX-HHHXNRCGSA-N 1 1 464.440 6.392 50 0 JKAAMO Cn1cc(C[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1cccc2Cl ZINC000096580977 569741823 /nfs/dbraw/zinc/74/18/23/569741823.db2.gz HKQBVKUUMQGFIX-HHHXNRCGSA-N 1 1 464.440 6.392 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=S)Nc1cccc(C)c1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041094 569753706 /nfs/dbraw/zinc/75/37/06/569753706.db2.gz STNSGZXHSCZXGO-RUZDIDTESA-N 1 1 475.658 5.407 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=S)Nc1cccc(C)c1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041094 569753707 /nfs/dbraw/zinc/75/37/07/569753707.db2.gz STNSGZXHSCZXGO-RUZDIDTESA-N 1 1 475.658 5.407 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041086 569753716 /nfs/dbraw/zinc/75/37/16/569753716.db2.gz CTZVHSJYGDVNQM-RUZDIDTESA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041086 569753718 /nfs/dbraw/zinc/75/37/18/569753718.db2.gz CTZVHSJYGDVNQM-RUZDIDTESA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043240 569754620 /nfs/dbraw/zinc/75/46/20/569754620.db2.gz VQPOXCASLNUCCA-NFQMXDRXSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043240 569754621 /nfs/dbraw/zinc/75/46/21/569754621.db2.gz VQPOXCASLNUCCA-NFQMXDRXSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043203 569754657 /nfs/dbraw/zinc/75/46/57/569754657.db2.gz HRUITTAHMKSBOC-NGOKVRLYSA-N 1 1 489.616 5.330 50 0 JKAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043203 569754659 /nfs/dbraw/zinc/75/46/59/569754659.db2.gz HRUITTAHMKSBOC-NGOKVRLYSA-N 1 1 489.616 5.330 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048284 569755883 /nfs/dbraw/zinc/75/58/83/569755883.db2.gz GNTJAIQQQAKNSY-NAKRPHOHSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048284 569755885 /nfs/dbraw/zinc/75/58/85/569755885.db2.gz GNTJAIQQQAKNSY-NAKRPHOHSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048286 569755920 /nfs/dbraw/zinc/75/59/20/569755920.db2.gz GNTJAIQQQAKNSY-LEAFIULHSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@@H](NC(=O)c1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048286 569755921 /nfs/dbraw/zinc/75/59/21/569755921.db2.gz GNTJAIQQQAKNSY-LEAFIULHSA-N 1 1 474.601 5.020 50 0 JKAAMO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036202259 569756963 /nfs/dbraw/zinc/75/69/63/569756963.db2.gz KDJBOKPALFUNLX-UHFFFAOYSA-N 1 1 465.515 6.393 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036202259 569756964 /nfs/dbraw/zinc/75/69/64/569756964.db2.gz KDJBOKPALFUNLX-UHFFFAOYSA-N 1 1 465.515 6.393 50 0 JKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccc(C)o3)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036202608 569756986 /nfs/dbraw/zinc/75/69/86/569756986.db2.gz ALUXMHQGESFQLX-UHFFFAOYSA-N 1 1 473.569 5.647 50 0 JKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccc(C)o3)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036202608 569756988 /nfs/dbraw/zinc/75/69/88/569756988.db2.gz ALUXMHQGESFQLX-UHFFFAOYSA-N 1 1 473.569 5.647 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1sccc1C ZINC000036202300 569756993 /nfs/dbraw/zinc/75/69/93/569756993.db2.gz SITWJCSXJBTEQT-UHFFFAOYSA-N 1 1 467.581 6.624 50 0 JKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)c1OC ZINC000036202326 569757011 /nfs/dbraw/zinc/75/70/11/569757011.db2.gz GEHJELXLLOBOAL-UHFFFAOYSA-N 1 1 485.624 6.239 50 0 JKAAMO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F ZINC000036202242 569757048 /nfs/dbraw/zinc/75/70/48/569757048.db2.gz HCOKUSAIUQPQOQ-UHFFFAOYSA-N 1 1 471.619 5.865 50 0 JKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F ZINC000036202242 569757049 /nfs/dbraw/zinc/75/70/49/569757049.db2.gz HCOKUSAIUQPQOQ-UHFFFAOYSA-N 1 1 471.619 5.865 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036301579 569759009 /nfs/dbraw/zinc/75/90/09/569759009.db2.gz LBZUGVWVYUJHLU-QFIPXVFZSA-N 1 1 451.611 5.266 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036301560 569759087 /nfs/dbraw/zinc/75/90/87/569759087.db2.gz TTYOCZYJYYGHTC-VWLOTQADSA-N 1 1 455.602 5.693 50 0 JKAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301762 569759181 /nfs/dbraw/zinc/75/91/81/569759181.db2.gz ONRKOPPFINKODL-JOCHJYFZSA-N 1 1 458.002 5.092 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036301838 569759184 /nfs/dbraw/zinc/75/91/84/569759184.db2.gz PVUZCHJZYHULDU-XMMPIXPASA-N 1 1 498.067 6.014 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302352 569759228 /nfs/dbraw/zinc/75/92/28/569759228.db2.gz PWGKOYFYWLBZIZ-XMMPIXPASA-N 1 1 481.637 5.226 50 0 JKAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N(C)Cc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036310880 569759475 /nfs/dbraw/zinc/75/94/75/569759475.db2.gz WTLJNWDPZGMKBF-HHHXNRCGSA-N 1 1 476.665 5.177 50 0 JKAAMO Cc1cccc(C(=O)N(CCC(C)C)Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)c1 ZINC000036312317 569760185 /nfs/dbraw/zinc/76/01/85/569760185.db2.gz UZWPWNPANYEYTC-UHFFFAOYSA-N 1 1 478.612 5.229 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313004 569760620 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CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036316453 569763142 /nfs/dbraw/zinc/76/31/42/569763142.db2.gz NMUOLNXRZOQJGZ-HSZRJFAPSA-N 1 1 483.628 5.610 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316546 569763212 /nfs/dbraw/zinc/76/32/12/569763212.db2.gz HGHKNEUODDWSHO-NRFANRHFSA-N 1 1 472.029 5.529 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036316503 569763265 /nfs/dbraw/zinc/76/32/65/569763265.db2.gz LMINUXCYTSLJSZ-HSZRJFAPSA-N 1 1 469.601 5.364 50 0 JKAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316547 569763275 /nfs/dbraw/zinc/76/32/75/569763275.db2.gz HGHKNEUODDWSHO-OAQYLSRUSA-N 1 1 472.029 5.529 50 0 JKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000036341471 569764544 /nfs/dbraw/zinc/76/45/44/569764544.db2.gz XGXZTZJFOYSPRC-NDEPHWFRSA-N 1 1 473.567 5.597 50 0 JKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000036341472 569764593 /nfs/dbraw/zinc/76/45/93/569764593.db2.gz XGXZTZJFOYSPRC-MUUNZHRXSA-N 1 1 473.567 5.597 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342009 569765058 /nfs/dbraw/zinc/76/50/58/569765058.db2.gz HZOWYFLPMBRRRR-REWPJTCUSA-N 1 1 469.601 5.499 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341972 569765103 /nfs/dbraw/zinc/76/51/03/569765103.db2.gz AETLXXHNRYRAJK-DEOSSOPVSA-N 1 1 495.664 5.616 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342075 569765230 /nfs/dbraw/zinc/76/52/30/569765230.db2.gz NHZSDIKWFHMHAA-RDPSFJRHSA-N 1 1 483.628 5.889 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036342084 569765290 /nfs/dbraw/zinc/76/52/90/569765290.db2.gz UIDFKPWRHIZGJT-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036342084 569765291 /nfs/dbraw/zinc/76/52/91/569765291.db2.gz UIDFKPWRHIZGJT-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342068 569765300 /nfs/dbraw/zinc/76/53/00/569765300.db2.gz QXAQDCYNPIVUGC-SQJMNOBHSA-N 1 1 483.628 5.890 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036342116 569765464 /nfs/dbraw/zinc/76/54/64/569765464.db2.gz BXGBBLKYONMTOU-VWLOTQADSA-N 1 1 481.612 5.358 50 0 JKAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344050 569766731 /nfs/dbraw/zinc/76/67/31/569766731.db2.gz VTFSQRSVEZOOEW-SANMLTNESA-N 1 1 479.621 5.045 50 0 JKAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344471 569767118 /nfs/dbraw/zinc/76/71/18/569767118.db2.gz SZQZKXDSZXHBTH-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344471 569767120 /nfs/dbraw/zinc/76/71/20/569767120.db2.gz SZQZKXDSZXHBTH-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036345003 569767573 /nfs/dbraw/zinc/76/75/73/569767573.db2.gz WLCRIBYNUXRBFX-PMERELPUSA-N 1 1 480.656 5.107 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345803 569768208 /nfs/dbraw/zinc/76/82/08/569768208.db2.gz YKIOGURSZPMEFD-AREMUKBSSA-N 1 1 487.619 6.180 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036345887 569768338 /nfs/dbraw/zinc/76/83/38/569768338.db2.gz UOZRYDZYPQNHHO-VWLOTQADSA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036345887 569768339 /nfs/dbraw/zinc/76/83/39/569768339.db2.gz UOZRYDZYPQNHHO-VWLOTQADSA-N 1 1 463.622 5.279 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000036345828 569768356 /nfs/dbraw/zinc/76/83/56/569768356.db2.gz HYMXTUIGQHQFCD-URXFXBBRSA-N 1 1 451.611 5.279 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345848 569768481 /nfs/dbraw/zinc/76/84/81/569768481.db2.gz DSZMAKIPDMSNOU-DEOSSOPVSA-N 1 1 451.611 5.137 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@H](C)CC ZINC000036345827 569768502 /nfs/dbraw/zinc/76/85/02/569768502.db2.gz HYMXTUIGQHQFCD-QPPBQGQZSA-N 1 1 451.611 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036345964 569768560 /nfs/dbraw/zinc/76/85/60/569768560.db2.gz MSZKJAUIGRUQGM-SANMLTNESA-N 1 1 487.619 6.174 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036345965 569768611 /nfs/dbraw/zinc/76/86/11/569768611.db2.gz DNTZGCMDGLWPII-DEOSSOPVSA-N 1 1 483.628 5.604 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036345946 569768639 /nfs/dbraw/zinc/76/86/39/569768639.db2.gz YYCWZVBMHRUYDZ-AREMUKBSSA-N 1 1 477.649 5.527 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346068 569768750 /nfs/dbraw/zinc/76/87/50/569768750.db2.gz DOCVRMWVNURADV-JOCHJYFZSA-N 1 1 469.601 5.500 50 0 JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@H]1C)[N@H+](C)CC3)OCO2 ZINC000100757893 569768921 /nfs/dbraw/zinc/76/89/21/569768921.db2.gz NHRVEPPXQUAVEI-YCAUGHHRSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@H]1C)[N@@H+](C)CC3)OCO2 ZINC000100757893 569768922 /nfs/dbraw/zinc/76/89/22/569768922.db2.gz NHRVEPPXQUAVEI-YCAUGHHRSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346139 569768977 /nfs/dbraw/zinc/76/89/77/569768977.db2.gz JBHKNLOQHQPICZ-DEOSSOPVSA-N 1 1 451.611 5.281 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346139 569768978 /nfs/dbraw/zinc/76/89/78/569768978.db2.gz JBHKNLOQHQPICZ-DEOSSOPVSA-N 1 1 451.611 5.281 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346127 569769011 /nfs/dbraw/zinc/76/90/11/569769011.db2.gz XODBHTGNLXZMGC-VWLOTQADSA-N 1 1 479.665 5.915 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036346115 569769062 /nfs/dbraw/zinc/76/90/62/569769062.db2.gz VQLZBTYEGDPUGT-VWLOTQADSA-N 1 1 465.638 5.525 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346183 569769200 /nfs/dbraw/zinc/76/92/00/569769200.db2.gz APWGJNYOCUHSHT-RDGATRHJSA-N 1 1 465.638 5.668 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346194 569769243 /nfs/dbraw/zinc/76/92/43/569769243.db2.gz WTAKVRIEVMBHGD-URXFXBBRSA-N 1 1 451.611 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036346198 569769283 /nfs/dbraw/zinc/76/92/83/569769283.db2.gz ZSMGAMMDFUCIIM-AHKZPQOWSA-N 1 1 493.648 5.048 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036346198 569769285 /nfs/dbraw/zinc/76/92/85/569769285.db2.gz ZSMGAMMDFUCIIM-AHKZPQOWSA-N 1 1 493.648 5.048 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346195 569769310 /nfs/dbraw/zinc/76/93/10/569769310.db2.gz KQMSVKPOOROEHA-BDYUSTAISA-N 1 1 477.649 5.814 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346195 569769312 /nfs/dbraw/zinc/76/93/12/569769312.db2.gz KQMSVKPOOROEHA-BDYUSTAISA-N 1 1 477.649 5.814 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346290 569769445 /nfs/dbraw/zinc/76/94/45/569769445.db2.gz HZJHNYCMBLAKDT-HSZRJFAPSA-N 1 1 455.574 5.108 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)c1ccccc1)CC1CC1 ZINC000036346417 569769646 /nfs/dbraw/zinc/76/96/46/569769646.db2.gz LTUDNZDRTIHKRI-NDEPHWFRSA-N 1 1 471.576 6.058 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346386 569769649 /nfs/dbraw/zinc/76/96/49/569769649.db2.gz UCBXMSVTXDQIPK-QHCPKHFHSA-N 1 1 469.601 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346434 569769698 /nfs/dbraw/zinc/76/96/98/569769698.db2.gz JDKXREOCSLHTTF-XMMPIXPASA-N 1 1 481.612 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346425 569769764 /nfs/dbraw/zinc/76/97/64/569769764.db2.gz HUKBYGVYRJYPDO-VWLOTQADSA-N 1 1 481.612 5.358 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346479 569769862 /nfs/dbraw/zinc/76/98/62/569769862.db2.gz VYXDSJNCVPVWME-HSZRJFAPSA-N 1 1 481.637 5.404 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)CC ZINC000036346494 569769883 /nfs/dbraw/zinc/76/98/83/569769883.db2.gz HWCJWANYMFSTNX-QFIPXVFZSA-N 1 1 451.611 5.780 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346482 569769910 /nfs/dbraw/zinc/76/99/10/569769910.db2.gz ZGMJIUGUJZENOA-XMMPIXPASA-N 1 1 493.648 5.547 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@@H](O)COC(C)C)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346482 569769911 /nfs/dbraw/zinc/76/99/11/569769911.db2.gz ZGMJIUGUJZENOA-XMMPIXPASA-N 1 1 493.648 5.547 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346530 569769944 /nfs/dbraw/zinc/76/99/44/569769944.db2.gz YKHDZKIJLAGPPX-RUZDIDTESA-N 1 1 477.649 5.533 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346529 569769947 /nfs/dbraw/zinc/76/99/47/569769947.db2.gz YKHDZKIJLAGPPX-VWLOTQADSA-N 1 1 477.649 5.533 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036346499 569769956 /nfs/dbraw/zinc/76/99/56/569769956.db2.gz BPBAEEUDTFFBRD-QHCPKHFHSA-N 1 1 481.637 5.406 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346465 569769988 /nfs/dbraw/zinc/76/99/88/569769988.db2.gz QFGMBDQQAIUTDB-LJAQVGFWSA-N 1 1 499.655 6.741 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346508 569769998 /nfs/dbraw/zinc/76/99/98/569769998.db2.gz OIYFXYRFYSFFPT-XMMPIXPASA-N 1 1 465.638 5.532 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036346599 569770073 /nfs/dbraw/zinc/77/00/73/569770073.db2.gz VUIHSRJMZAVYKX-QHCPKHFHSA-N 1 1 487.591 5.497 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346594 569770130 /nfs/dbraw/zinc/77/01/30/569770130.db2.gz GBHUHIMWJASHOS-QHCPKHFHSA-N 1 1 487.591 5.639 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346553 569770178 /nfs/dbraw/zinc/77/01/78/569770178.db2.gz GCPXNRQUHWFIMD-VWLOTQADSA-N 1 1 461.650 6.299 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346637 569770297 /nfs/dbraw/zinc/77/02/97/569770297.db2.gz VYIZGCSNSZCAFX-QHCPKHFHSA-N 1 1 473.564 5.248 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346664 569770418 /nfs/dbraw/zinc/77/04/18/569770418.db2.gz HDZUGXYIFBVVSV-HSZRJFAPSA-N 1 1 487.591 5.639 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346606 569770435 /nfs/dbraw/zinc/77/04/35/569770435.db2.gz RAPXCGGQEYVPLC-JOCHJYFZSA-N 1 1 487.591 5.639 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346723 569770519 /nfs/dbraw/zinc/77/05/19/569770519.db2.gz ZEGWMUVDADRPQD-DEOSSOPVSA-N 1 1 485.575 5.249 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346723 569770520 /nfs/dbraw/zinc/77/05/20/569770520.db2.gz ZEGWMUVDADRPQD-DEOSSOPVSA-N 1 1 485.575 5.249 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346675 569770582 /nfs/dbraw/zinc/77/05/82/569770582.db2.gz UNGGWZDENUHHHX-XMMPIXPASA-N 1 1 487.591 5.641 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346731 569770626 /nfs/dbraw/zinc/77/06/26/569770626.db2.gz XYCVCECDSIZKJH-QHCPKHFHSA-N 1 1 485.575 5.392 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346731 569770627 /nfs/dbraw/zinc/77/06/27/569770627.db2.gz XYCVCECDSIZKJH-QHCPKHFHSA-N 1 1 485.575 5.392 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346717 569770656 /nfs/dbraw/zinc/77/06/56/569770656.db2.gz ZCRPYWWPKADFLK-XMMPIXPASA-N 1 1 487.591 5.639 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346715 569770687 /nfs/dbraw/zinc/77/06/87/569770687.db2.gz VOLHTWLHEXVGSZ-QHCPKHFHSA-N 1 1 457.565 6.013 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346699 569770702 /nfs/dbraw/zinc/77/07/02/569770702.db2.gz HOFNTEMVTVGZTD-DEOSSOPVSA-N 1 1 487.591 5.495 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346767 569770773 /nfs/dbraw/zinc/77/07/73/569770773.db2.gz HEBPBEQUUQKFTH-QHCPKHFHSA-N 1 1 457.565 6.014 50 0 JKAAMO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346775 569770778 /nfs/dbraw/zinc/77/07/78/569770778.db2.gz LHVWJGULSAETLU-VWLOTQADSA-N 1 1 479.665 5.679 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346798 569770783 /nfs/dbraw/zinc/77/07/83/569770783.db2.gz RUSYDLAXUJESFB-HHHXNRCGSA-N 1 1 499.655 5.976 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346809 569770837 /nfs/dbraw/zinc/77/08/37/569770837.db2.gz KIWLJXMOGOOHCN-MHZLTWQESA-N 1 1 483.656 6.741 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036346752 569770897 /nfs/dbraw/zinc/77/08/97/569770897.db2.gz CPTROJWXDUICOO-XMMPIXPASA-N 1 1 487.591 5.497 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036346760 569770864 /nfs/dbraw/zinc/77/08/64/569770864.db2.gz BBPXOCFJJPTRRQ-HSZRJFAPSA-N 1 1 487.591 5.639 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346770 569770900 /nfs/dbraw/zinc/77/09/00/569770900.db2.gz IIECWYPGCXXSFC-DEOSSOPVSA-N 1 1 487.591 5.641 50 0 JKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347353 569770967 /nfs/dbraw/zinc/77/09/67/569770967.db2.gz QYNZFNDAEFLUEU-HHHXNRCGSA-N 1 1 462.515 7.295 50 0 JKAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347900 569770976 /nfs/dbraw/zinc/77/09/76/569770976.db2.gz JBGYAXOHCZQTTQ-MHZLTWQESA-N 1 1 462.515 7.295 50 0 JKAAMO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347900 569770977 /nfs/dbraw/zinc/77/09/77/569770977.db2.gz JBGYAXOHCZQTTQ-MHZLTWQESA-N 1 1 462.515 7.295 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000036347688 569771026 /nfs/dbraw/zinc/77/10/26/569771026.db2.gz AAIQPLSEIGLZLL-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000036347688 569771027 /nfs/dbraw/zinc/77/10/27/569771027.db2.gz AAIQPLSEIGLZLL-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO O=C(CCCCCCN1CC[N@H+]2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100923808 569775981 /nfs/dbraw/zinc/77/59/81/569775981.db2.gz QDZLSZKODUOQHK-NRFANRHFSA-N 1 1 470.082 6.200 50 0 JKAAMO CN(C(=S)NCCC[NH+]1CCOCC1)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000036575501 569776750 /nfs/dbraw/zinc/77/67/50/569776750.db2.gz MCRVSVRNRBHWBE-YADARESESA-N 1 1 492.516 5.489 50 0 JKAAMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000036628285 569779065 /nfs/dbraw/zinc/77/90/65/569779065.db2.gz IGJCWCMFTZNGJG-UHFFFAOYSA-N 1 1 459.981 5.190 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276310 569782185 /nfs/dbraw/zinc/78/21/85/569782185.db2.gz GNOYEOYBGUZXFS-VAVYLYDRSA-N 1 1 492.610 5.987 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276304 569782228 /nfs/dbraw/zinc/78/22/28/569782228.db2.gz SLUROFLKXDYWOD-OFSOJUDTSA-N 1 1 488.647 6.157 50 0 JKAAMO CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000037379720 569784821 /nfs/dbraw/zinc/78/48/21/569784821.db2.gz ISWVSEZCBQYYOE-UHFFFAOYSA-N 1 1 476.575 5.067 50 0 JKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000037523980 569792910 /nfs/dbraw/zinc/79/29/10/569792910.db2.gz YDVAVRUXNFOTJQ-GGAORHGYSA-N 1 1 458.593 5.330 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523705 569792929 /nfs/dbraw/zinc/79/29/29/569792929.db2.gz ZPIVUCUQUYZFHQ-WIOPSUGQSA-N 1 1 478.574 6.201 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)CC1 ZINC000037560551 569795522 /nfs/dbraw/zinc/79/55/22/569795522.db2.gz BSMLWHNVFDAGLI-UHFFFAOYSA-N 1 1 464.631 5.172 50 0 JKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000037570562 569795682 /nfs/dbraw/zinc/79/56/82/569795682.db2.gz HEVLANBDKPTMLW-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000037570544 569795812 /nfs/dbraw/zinc/79/58/12/569795812.db2.gz VJFARTIITOODBX-UHFFFAOYSA-N 1 1 464.631 5.172 50 0 JKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000037572263 569795829 /nfs/dbraw/zinc/79/58/29/569795829.db2.gz HVZPTHBIZDSRTE-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccccc2C)CC1 ZINC000037572261 569795893 /nfs/dbraw/zinc/79/58/93/569795893.db2.gz XWADZUCJBFGROR-UHFFFAOYSA-N 1 1 468.594 5.003 50 0 JKAAMO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580721 569796546 /nfs/dbraw/zinc/79/65/46/569796546.db2.gz HRDIMLUNXCJSNN-UHFFFAOYSA-N 1 1 450.529 5.593 50 0 JKAAMO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580717 569796627 /nfs/dbraw/zinc/79/66/27/569796627.db2.gz SPQIPSURVZOLJA-UHFFFAOYSA-N 1 1 450.529 5.593 50 0 JKAAMO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580723 569796635 /nfs/dbraw/zinc/79/66/35/569796635.db2.gz SPDJOBVPTDROHY-UHFFFAOYSA-N 1 1 452.520 5.978 50 0 JKAAMO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587663 569796718 /nfs/dbraw/zinc/79/67/18/569796718.db2.gz QAQOWSUBKGXKME-UHFFFAOYSA-N 1 1 450.529 5.593 50 0 JKAAMO CCc1ccc(N(C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037587790 569796725 /nfs/dbraw/zinc/79/67/25/569796725.db2.gz GHTLATAFFWRUEX-UHFFFAOYSA-N 1 1 494.657 5.126 50 0 JKAAMO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587770 569796779 /nfs/dbraw/zinc/79/67/79/569796779.db2.gz BTWGWLNGVSJMIU-UHFFFAOYSA-N 1 1 466.528 5.293 50 0 JKAAMO Cc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545893 569802468 /nfs/dbraw/zinc/80/24/68/569802468.db2.gz YOQCPBZYRPABJV-HXUWFJFHSA-N 1 1 459.409 6.240 50 0 JKAAMO Cc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545894 569802504 /nfs/dbraw/zinc/80/25/04/569802504.db2.gz YOQCPBZYRPABJV-FQEVSTJZSA-N 1 1 459.409 6.240 50 0 JKAAMO CCc1cc([C@@H](c2cccc(OC)c2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545945 569802507 /nfs/dbraw/zinc/80/25/07/569802507.db2.gz OQXXSHTUFRJBAL-JOCHJYFZSA-N 1 1 454.592 5.748 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(C(C)C)cc2)CC1 ZINC000038546374 569803154 /nfs/dbraw/zinc/80/31/54/569803154.db2.gz QDKYTGZTOABGEN-RUZDIDTESA-N 1 1 494.657 6.390 50 0 JKAAMO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000038546728 569803503 /nfs/dbraw/zinc/80/35/03/569803503.db2.gz WJAWKWJBWMAIHI-JOCHJYFZSA-N 1 1 455.649 5.024 50 0 JKAAMO CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546753 569803520 /nfs/dbraw/zinc/80/35/20/569803520.db2.gz MODYJKMKHYHWGA-JOCHJYFZSA-N 1 1 471.717 5.737 50 0 JKAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546725 569803527 /nfs/dbraw/zinc/80/35/27/569803527.db2.gz IGCZALGLECMVRI-QFIPXVFZSA-N 1 1 455.649 5.024 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1C ZINC000038546733 569803529 /nfs/dbraw/zinc/80/35/29/569803529.db2.gz XYJIGNDEJIKRAC-NRFANRHFSA-N 1 1 460.068 5.669 50 0 JKAAMO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000038546729 569803548 /nfs/dbraw/zinc/80/35/48/569803548.db2.gz WJAWKWJBWMAIHI-QFIPXVFZSA-N 1 1 455.649 5.024 50 0 JKAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000038546760 569803739 /nfs/dbraw/zinc/80/37/39/569803739.db2.gz JPIAWUUQNYTTRM-QHCPKHFHSA-N 1 1 485.675 5.033 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(Cl)cc2)c1 ZINC000038547309 569803842 /nfs/dbraw/zinc/80/38/42/569803842.db2.gz KFPRGUMSRKAKAE-DEOSSOPVSA-N 1 1 478.017 7.031 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccccc2)CCCC3)c2ccccn2)c1 ZINC000038547481 569803845 /nfs/dbraw/zinc/80/38/45/569803845.db2.gz GKGPFWFQNBONDS-VWLOTQADSA-N 1 1 454.599 6.179 50 0 JKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2F)[nH+]1 ZINC000038547390 569803885 /nfs/dbraw/zinc/80/38/85/569803885.db2.gz TZLWMKWAGPACJH-DEOSSOPVSA-N 1 1 461.562 6.516 50 0 JKAAMO COc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000038547036 569803903 /nfs/dbraw/zinc/80/39/03/569803903.db2.gz VWUXQICKERITKJ-VWLOTQADSA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2F)c1 ZINC000038547388 569803923 /nfs/dbraw/zinc/80/39/23/569803923.db2.gz NRHVBIUAPUPANF-XMMPIXPASA-N 1 1 461.562 6.516 50 0 JKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546999 569803953 /nfs/dbraw/zinc/80/39/53/569803953.db2.gz NRBCTQRYZDOJSY-OAQYLSRUSA-N 1 1 471.504 6.826 50 0 JKAAMO CSc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547644 569804043 /nfs/dbraw/zinc/80/40/43/569804043.db2.gz VQVHPMDLIUYHFD-HSZRJFAPSA-N 1 1 463.628 6.837 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c1C ZINC000038547659 569804073 /nfs/dbraw/zinc/80/40/73/569804073.db2.gz MVMJJIAYLYHVOE-QFIPXVFZSA-N 1 1 483.540 6.717 50 0 JKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038547530 569804117 /nfs/dbraw/zinc/80/41/17/569804117.db2.gz WLZDZRCVQYDKBO-VWLOTQADSA-N 1 1 487.625 6.539 50 0 JKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038547528 569804150 /nfs/dbraw/zinc/80/41/50/569804150.db2.gz MNRJGFAAIUFGSL-RUZDIDTESA-N 1 1 487.625 6.539 50 0 JKAAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547632 569804167 /nfs/dbraw/zinc/80/41/67/569804167.db2.gz SGEZMYGLDIPBPZ-XMMPIXPASA-N 1 1 461.587 6.514 50 0 JKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000038547516 569804171 /nfs/dbraw/zinc/80/41/71/569804171.db2.gz PAXJINFUEZANNQ-AREMUKBSSA-N 1 1 487.625 6.539 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2cccc(Br)c2)c1C ZINC000038547666 569804187 /nfs/dbraw/zinc/80/41/87/569804187.db2.gz GIKCPLCAPFSZGN-JOCHJYFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c1C ZINC000038547624 569804208 /nfs/dbraw/zinc/80/42/08/569804208.db2.gz JPLSPZDYBFUZLE-JOCHJYFZSA-N 1 1 485.531 7.134 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Br)cc2)c1C ZINC000038547649 569804228 /nfs/dbraw/zinc/80/42/28/569804228.db2.gz ZCRQIUDUMFINCA-QFIPXVFZSA-N 1 1 496.430 6.878 50 0 JKAAMO CSc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547638 569804232 /nfs/dbraw/zinc/80/42/32/569804232.db2.gz KRMPAIJMLRHROU-QHCPKHFHSA-N 1 1 463.628 6.837 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Br)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547882 569804341 /nfs/dbraw/zinc/80/43/41/569804341.db2.gz WFYFKGCHRRUTKN-QFIPXVFZSA-N 1 1 496.430 6.823 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038547760 569804357 /nfs/dbraw/zinc/80/43/57/569804357.db2.gz NRKFLRXYGGVSNN-QFIPXVFZSA-N 1 1 451.979 6.714 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3c(c2)OCO3)c1C ZINC000038547687 569804361 /nfs/dbraw/zinc/80/43/61/569804361.db2.gz RLQLJTNBFCUHJV-QHCPKHFHSA-N 1 1 461.543 5.844 50 0 JKAAMO CCOc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(CC)sc2NC(=O)c2ccco2)cc1 ZINC000038547862 569804385 /nfs/dbraw/zinc/80/43/85/569804385.db2.gz HNQLZLIMNBENKO-DEOSSOPVSA-N 1 1 461.587 6.459 50 0 JKAAMO COc1ccc(OC)c([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547709 569804389 /nfs/dbraw/zinc/80/43/89/569804389.db2.gz FBLJSXXKVZGVMS-DEOSSOPVSA-N 1 1 477.586 6.132 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1OC ZINC000038547668 569804405 /nfs/dbraw/zinc/80/44/05/569804405.db2.gz JDZYIDMWHDIOLY-XMMPIXPASA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1 ZINC000038547928 569804538 /nfs/dbraw/zinc/80/45/38/569804538.db2.gz OEIQVUMCRHRWSG-HSZRJFAPSA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000038547922 569804582 /nfs/dbraw/zinc/80/45/82/569804582.db2.gz TWYRDMVGEBWXBF-HSZRJFAPSA-N 1 1 461.543 5.789 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(Br)c2)c(NC(=O)c2ccco2)s1 ZINC000038547904 569804618 /nfs/dbraw/zinc/80/46/18/569804618.db2.gz HSJSZPLRCJAHIW-JOCHJYFZSA-N 1 1 496.430 6.823 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547898 569804644 /nfs/dbraw/zinc/80/46/44/569804644.db2.gz GURGXIKWQICUAP-JOCHJYFZSA-N 1 1 483.540 6.662 50 0 JKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038551031 569805115 /nfs/dbraw/zinc/80/51/15/569805115.db2.gz IWGRPLNTQPXLNV-DEOSSOPVSA-N 1 1 473.598 6.231 50 0 JKAAMO Cc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551097 569805117 /nfs/dbraw/zinc/80/51/17/569805117.db2.gz KTCRDLHVOXNOSP-VWLOTQADSA-N 1 1 457.599 6.686 50 0 JKAAMO Cc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551093 569805153 /nfs/dbraw/zinc/80/51/53/569805153.db2.gz WLTPIRSGQWTFGX-VWLOTQADSA-N 1 1 457.599 6.686 50 0 JKAAMO CSc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551107 569805176 /nfs/dbraw/zinc/80/51/76/569805176.db2.gz WAIVYALREJSBGV-RUZDIDTESA-N 1 1 489.666 7.099 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2Cl)c1 ZINC000038551064 569805208 /nfs/dbraw/zinc/80/52/08/569805208.db2.gz UQYIWHDEUDNXID-XMMPIXPASA-N 1 1 478.017 7.031 50 0 JKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551043 569805219 /nfs/dbraw/zinc/80/52/19/569805219.db2.gz CEHZNYDKEKMDSG-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO O=C(Nc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1Cl)c1cccs1 ZINC000040089257 569815985 /nfs/dbraw/zinc/81/59/85/569815985.db2.gz BLCBVVTZOPZVMY-NRFANRHFSA-N 1 1 488.440 5.874 50 0 JKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000103027163 569832022 /nfs/dbraw/zinc/83/20/22/569832022.db2.gz KMYPEBMEKUQHKI-DCFHFQCYSA-N 1 1 490.028 5.066 50 0 JKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000103027163 569832023 /nfs/dbraw/zinc/83/20/23/569832023.db2.gz KMYPEBMEKUQHKI-DCFHFQCYSA-N 1 1 490.028 5.066 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccc(C)cc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051864 569832353 /nfs/dbraw/zinc/83/23/53/569832353.db2.gz DLUWPGPRNFCVPE-KMRXNPHXSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccc(C)cc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051864 569832355 /nfs/dbraw/zinc/83/23/55/569832355.db2.gz DLUWPGPRNFCVPE-KMRXNPHXSA-N 1 1 458.602 5.239 50 0 JKAAMO COc1cccc([C@@H](CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000103071886 569832529 /nfs/dbraw/zinc/83/25/29/569832529.db2.gz JAMXHXVUHRCKPC-NZQKXSOJSA-N 1 1 463.622 5.088 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653322 569836905 /nfs/dbraw/zinc/83/69/05/569836905.db2.gz ADHVRVGKBCKWRB-SIKLNZKXSA-N 1 1 453.030 5.689 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032526 569843052 /nfs/dbraw/zinc/84/30/52/569843052.db2.gz JVYGXVVITVXYFX-UHFFFAOYSA-N 1 1 452.668 5.980 50 0 JKAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032512 569843124 /nfs/dbraw/zinc/84/31/24/569843124.db2.gz BVHRRAPBHDFPNS-UHFFFAOYSA-N 1 1 462.619 5.095 50 0 JKAAMO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032512 569843125 /nfs/dbraw/zinc/84/31/25/569843125.db2.gz BVHRRAPBHDFPNS-UHFFFAOYSA-N 1 1 462.619 5.095 50 0 JKAAMO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104916643 569846980 /nfs/dbraw/zinc/84/69/80/569846980.db2.gz WVMBOVLKZUQLQJ-AZGAKELHSA-N 1 1 479.546 5.250 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983122 569847929 /nfs/dbraw/zinc/84/79/29/569847929.db2.gz ZMBILRAWYDXLTA-CLJLJLNGSA-N 1 1 482.983 5.052 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982617 569847935 /nfs/dbraw/zinc/84/79/35/569847935.db2.gz CURVSYVAOPJFFZ-LEWJYISDSA-N 1 1 483.411 5.161 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982699 569848010 /nfs/dbraw/zinc/84/80/10/569848010.db2.gz QJBASNOVBDTTFL-LOSJGSFVSA-N 1 1 464.993 5.084 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983091 569848034 /nfs/dbraw/zinc/84/80/34/569848034.db2.gz UKEDXPVJNPBQBJ-LEWJYISDSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983687 569848346 /nfs/dbraw/zinc/84/83/46/569848346.db2.gz HBDFLVXGXYSYGM-VQTJNVASSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983687 569848347 /nfs/dbraw/zinc/84/83/47/569848347.db2.gz HBDFLVXGXYSYGM-VQTJNVASSA-N 1 1 465.421 5.022 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983223 569848349 /nfs/dbraw/zinc/84/83/49/569848349.db2.gz RHACFTACZGPOCZ-JWQCQUIFSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983223 569848350 /nfs/dbraw/zinc/84/83/50/569848350.db2.gz RHACFTACZGPOCZ-JWQCQUIFSA-N 1 1 482.983 5.223 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983978 569848416 /nfs/dbraw/zinc/84/84/16/569848416.db2.gz YQEALFMQTRROBQ-LOSJGSFVSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983978 569848417 /nfs/dbraw/zinc/84/84/17/569848417.db2.gz YQEALFMQTRROBQ-LOSJGSFVSA-N 1 1 482.983 5.052 50 0 JKAAMO C[N@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000049574659 569848902 /nfs/dbraw/zinc/84/89/02/569848902.db2.gz NDGOZBWPUODXDQ-QGZVFWFLSA-N 1 1 477.200 5.370 50 0 JKAAMO C[N@@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000049574659 569848904 /nfs/dbraw/zinc/84/89/04/569848904.db2.gz NDGOZBWPUODXDQ-QGZVFWFLSA-N 1 1 477.200 5.370 50 0 JKAAMO O=C(C1CC[NH+](Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)CC1)N1CCCCC1 ZINC000049590369 569849417 /nfs/dbraw/zinc/84/94/17/569849417.db2.gz QRTVQNLIIPCRPX-AREMUKBSSA-N 1 1 499.449 5.281 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105005798 569849850 /nfs/dbraw/zinc/84/98/50/569849850.db2.gz IWODRLCSHBUFCO-FYYLOGMGSA-N 1 1 465.638 6.040 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105006836 569849873 /nfs/dbraw/zinc/84/98/73/569849873.db2.gz YNYGAYHNKRAINX-FYYLOGMGSA-N 1 1 481.637 5.234 50 0 JKAAMO 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CCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000248146729 570075429 /nfs/dbraw/zinc/07/54/29/570075429.db2.gz FFIUFKRAVGPWBC-ILBGXUMGSA-N 1 1 463.622 5.369 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000248146729 570075430 /nfs/dbraw/zinc/07/54/30/570075430.db2.gz FFIUFKRAVGPWBC-ILBGXUMGSA-N 1 1 463.622 5.369 50 0 JKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248182891 570075953 /nfs/dbraw/zinc/07/59/53/570075953.db2.gz ZPIVUCUQUYZFHQ-RDGATRHJSA-N 1 1 478.574 6.201 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248182888 570075996 /nfs/dbraw/zinc/07/59/96/570075996.db2.gz ZPIVUCUQUYZFHQ-DHLKQENFSA-N 1 1 478.574 6.201 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248178314 570076009 /nfs/dbraw/zinc/07/60/09/570076009.db2.gz BTIYYAQGWGXZCH-OZXSUGGESA-N 1 1 490.610 6.070 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248214694 570076310 /nfs/dbraw/zinc/07/63/10/570076310.db2.gz FTUPNUGTVZLNJF-IGKIAQTJSA-N 1 1 480.649 5.910 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248242136 570076637 /nfs/dbraw/zinc/07/66/37/570076637.db2.gz OYTMRPUISWKNIR-LSYYVWMOSA-N 1 1 492.610 5.987 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248246624 570076739 /nfs/dbraw/zinc/07/67/39/570076739.db2.gz MNDZOCBWUMLPHZ-WNCULLNHSA-N 1 1 450.554 5.000 50 0 JKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000248264352 570077130 /nfs/dbraw/zinc/07/71/30/570077130.db2.gz YDVAVRUXNFOTJQ-JTHBVZDNSA-N 1 1 458.593 5.330 50 0 JKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000248266580 570077282 /nfs/dbraw/zinc/07/72/82/570077282.db2.gz YAWPBOODTDOMLO-SVBPBHIXSA-N 1 1 460.687 6.379 50 0 JKAAMO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461225 570081329 /nfs/dbraw/zinc/08/13/29/570081329.db2.gz LLKWFOGYGSHBRH-ORCXBCBESA-N 1 1 497.764 6.680 50 0 biogenic JKAAMO COc1ccc(C[NH+]2CCC(N3CC(=O)C(c4nc(-c5ccccc5)cs4)=C3N)CC2)cc1OC ZINC000252540543 570083346 /nfs/dbraw/zinc/08/33/46/570083346.db2.gz PLFXNNZGPFKGAI-UHFFFAOYSA-N 1 1 490.629 5.054 50 0 JKAAMO CCC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000253389760 570095592 /nfs/dbraw/zinc/09/55/92/570095592.db2.gz JTWZXYGGMYKXJE-WIOPSUGQSA-N 1 1 472.695 5.249 50 0 JKAAMO COc1ccc([C@H]2C[N@@H+](Cc3sccc3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000253389750 570095636 /nfs/dbraw/zinc/09/56/36/570095636.db2.gz LOGADMRGBBEGNZ-JYFHCDHNSA-N 1 1 466.622 5.469 50 0 JKAAMO ClC1=CC[C@H]2CN(CN(CC[N@H+]3C[C@@H]4CC(Cl)=CC[C@@H]4C3)Cc3ccccc3)C[C@@H]2C1 ZINC000253487479 570099836 /nfs/dbraw/zinc/09/98/36/570099836.db2.gz KUGQIPDYEXNCQQ-SBFWRKJZSA-N 1 1 460.493 5.375 50 0 JKAAMO ClC1=CC[C@H]2CN(CN(CC[N@@H+]3C[C@@H]4CC(Cl)=CC[C@@H]4C3)Cc3ccccc3)C[C@@H]2C1 ZINC000253487479 570099837 /nfs/dbraw/zinc/09/98/37/570099837.db2.gz KUGQIPDYEXNCQQ-SBFWRKJZSA-N 1 1 460.493 5.375 50 0 JKAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000254327875 570105531 /nfs/dbraw/zinc/10/55/31/570105531.db2.gz ZGYQVMZTTCMRKW-DYRSULLYSA-N 1 1 497.470 5.364 50 0 JKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000263585391 570171049 /nfs/dbraw/zinc/17/10/49/570171049.db2.gz IBRXKDKGUCRTJW-ACIOBRDBSA-N 1 1 497.507 5.245 50 0 biogenic JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000633990 193865639 /nfs/dbraw/zinc/86/56/39/193865639.db2.gz SUOQFINJDJGPRF-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000001459732 194124156 /nfs/dbraw/zinc/12/41/56/194124156.db2.gz BICJTZZQONFPIA-UHFFFAOYSA-N 1 1 498.630 6.153 50 0 JKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)c1 ZINC000001447622 194122776 /nfs/dbraw/zinc/12/27/76/194122776.db2.gz XCZROIQFEBPEJY-UHFFFAOYSA-N 1 1 454.917 6.082 50 0 JKAAMO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1OCc1ccccc1 ZINC000002928819 194173013 /nfs/dbraw/zinc/17/30/13/194173013.db2.gz KNIRQBUJADARKA-NDEPHWFRSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1OCc1ccccc1 ZINC000002928819 194173016 /nfs/dbraw/zinc/17/30/16/194173016.db2.gz KNIRQBUJADARKA-NDEPHWFRSA-N 1 1 466.625 6.821 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000002974946 194190628 /nfs/dbraw/zinc/19/06/28/194190628.db2.gz KJRSEWXNWBMYGZ-WIYYLYMNSA-N 1 1 459.037 7.676 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000002974950 194190694 /nfs/dbraw/zinc/19/06/94/194190694.db2.gz KJRSEWXNWBMYGZ-GHTZIAJQSA-N 1 1 459.037 7.676 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000002974944 194190747 /nfs/dbraw/zinc/19/07/47/194190747.db2.gz KJRSEWXNWBMYGZ-NQIIRXRSSA-N 1 1 459.037 7.676 50 0 JKAAMO CN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)C1CCCCC1 ZINC000002975071 194190760 /nfs/dbraw/zinc/19/07/60/194190760.db2.gz YSAVBJVYSZUTMW-UHFFFAOYSA-N 1 1 461.407 6.619 50 0 JKAAMO Cc1nnc(Sc2cc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)s1 ZINC000003027424 194211651 /nfs/dbraw/zinc/21/16/51/194211651.db2.gz RDAGTJZEAJYENA-UHFFFAOYSA-N 1 1 477.659 5.186 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054451 194220095 /nfs/dbraw/zinc/22/00/95/194220095.db2.gz OZNNBFWRHMWTFO-OAQYLSRUSA-N 1 1 489.616 5.351 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056340 194221027 /nfs/dbraw/zinc/22/10/27/194221027.db2.gz HJHHRLIJLGIZMN-JOCHJYFZSA-N 1 1 489.616 5.351 50 0 JKAAMO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)C2=O)cc1 ZINC000003046675 194216820 /nfs/dbraw/zinc/21/68/20/194216820.db2.gz IQPFBLGPBLYTTJ-USHMODERSA-N 1 1 499.680 5.502 50 0 JKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc12 ZINC000003384165 194310118 /nfs/dbraw/zinc/31/01/18/194310118.db2.gz IMEINCKLJSWEHC-UHFFFAOYSA-N 1 1 493.076 7.066 50 0 JKAAMO CC[C@H](c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1-c1ccccc1)[NH+](C)C ZINC000003391880 194311481 /nfs/dbraw/zinc/31/14/81/194311481.db2.gz RELVZDLMBCKUDZ-MRXNPFEDSA-N 1 1 479.437 5.021 50 0 JKAAMO CC[C@@H](c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1-c1ccccc1)[NH+](C)C ZINC000003391877 194311500 /nfs/dbraw/zinc/31/15/00/194311500.db2.gz RELVZDLMBCKUDZ-INIZCTEOSA-N 1 1 479.437 5.021 50 0 JKAAMO CC[C@@H](c1nnc(Sc2ncnc3sc4c(c32)CCCCC4)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000003438572 194324662 /nfs/dbraw/zinc/32/46/62/194324662.db2.gz YPVBNFFMSCHZEI-IBGZPJMESA-N 1 1 494.690 5.713 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003586611 194339712 /nfs/dbraw/zinc/33/97/12/194339712.db2.gz QUOGUIFMBKIKFE-QICHVEDASA-N 1 1 495.623 5.176 50 0 JKAAMO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665676 194356642 /nfs/dbraw/zinc/35/66/42/194356642.db2.gz SKYWJDGBNLQASA-KRWDZBQOSA-N 1 1 466.116 6.040 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288625 194664225 /nfs/dbraw/zinc/66/42/25/194664225.db2.gz MKNQLXTUSIZWBE-KRWDZBQOSA-N 1 1 472.054 5.975 50 0 JKAAMO Cc1ccc(C)c(N2CCN(c3c(C(=O)c4ccccc4)c[nH+]c4cc5c(cc43)OCCO5)CC2)c1 ZINC000009969426 195042707 /nfs/dbraw/zinc/04/27/07/195042707.db2.gz ZJQHEPULPZODJO-UHFFFAOYSA-N 1 1 479.580 5.180 50 0 JKAAMO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012629051 195061300 /nfs/dbraw/zinc/06/13/00/195061300.db2.gz IDYLCVJGPIXJRR-MZNJEOGPSA-N 1 1 498.936 6.575 50 0 JKAAMO O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012856881 195158071 /nfs/dbraw/zinc/15/80/71/195158071.db2.gz CMILLJYOTYTFDT-UHFFFAOYSA-N 1 1 470.013 5.532 50 0 JKAAMO CC[C@H](c1nnc(Sc2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)o1)[NH+](C)C ZINC000012888493 195171645 /nfs/dbraw/zinc/17/16/45/195171645.db2.gz BNHRLRSBNFMVEZ-LGHUBQEGSA-N 1 1 477.659 6.287 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000020683101 195204347 /nfs/dbraw/zinc/20/43/47/195204347.db2.gz OPEAUDZGEXZYGR-UHFFFAOYSA-N 1 1 461.650 6.276 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000020723542 195207068 /nfs/dbraw/zinc/20/70/68/195207068.db2.gz GWAOPSUFXJVBMM-CALCHBBNSA-N 1 1 455.574 5.657 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735112 195212439 /nfs/dbraw/zinc/21/24/39/195212439.db2.gz SCGQAEBQQWHFEY-QFNCUCFLSA-N 1 1 456.011 5.030 50 0 JKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)[N@@H+]2Cc4ccccc4C[C@@H]32)cc1 ZINC000020665302 195198381 /nfs/dbraw/zinc/19/83/81/195198381.db2.gz IHCCNYSQNVISOB-OJJQZRKESA-N 1 1 487.397 5.045 50 0 JKAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000020840257 195230116 /nfs/dbraw/zinc/23/01/16/195230116.db2.gz KSZMJLLHFDVKMA-UHFFFAOYSA-N 1 1 461.656 5.565 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000020840257 195230120 /nfs/dbraw/zinc/23/01/20/195230120.db2.gz KSZMJLLHFDVKMA-UHFFFAOYSA-N 1 1 461.656 5.565 50 0 JKAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)cc1OC ZINC000020773925 195223768 /nfs/dbraw/zinc/22/37/68/195223768.db2.gz WVGDRLSCUGCVCM-GOSISDBHSA-N 1 1 455.961 5.641 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1cccs1 ZINC000020864636 195234274 /nfs/dbraw/zinc/23/42/74/195234274.db2.gz CGJDPLAORQCNBU-IBGZPJMESA-N 1 1 494.686 5.062 50 0 JKAAMO CCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868345 195235082 /nfs/dbraw/zinc/23/50/82/195235082.db2.gz ZKWLYVDXZMDWBZ-XCZPVHLTSA-N 1 1 482.020 5.099 50 0 JKAAMO COc1cccc2cc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)oc21 ZINC000020885941 195236385 /nfs/dbraw/zinc/23/63/85/195236385.db2.gz QCXQVDAMTLWUTR-UHFFFAOYSA-N 1 1 475.595 6.020 50 0 JKAAMO COc1cccc2cc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)oc21 ZINC000020885941 195236387 /nfs/dbraw/zinc/23/63/87/195236387.db2.gz QCXQVDAMTLWUTR-UHFFFAOYSA-N 1 1 475.595 6.020 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024958 195268652 /nfs/dbraw/zinc/26/86/52/195268652.db2.gz XDVHZBYGTMOLJP-UHFFFAOYSA-N 1 1 468.041 5.836 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccc(OC(C)C)cc1)[C@H]2c1ccccc1 ZINC000021045753 195271520 /nfs/dbraw/zinc/27/15/20/195271520.db2.gz ZOGKTRXPKRKVKX-MHZLTWQESA-N 1 1 462.659 5.670 50 0 JKAAMO 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Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCN(c3ccccc3F)CC2)OCCO4)cc1 ZINC000021158490 195285293 /nfs/dbraw/zinc/28/52/93/195285293.db2.gz RAJGFBVUTOPFRO-UHFFFAOYSA-N 1 1 483.543 5.011 50 0 JKAAMO O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000021163488 195288477 /nfs/dbraw/zinc/28/84/77/195288477.db2.gz UVMSMGNRCPFEES-UHFFFAOYSA-N 1 1 492.604 5.348 50 0 JKAAMO O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000021163488 195288478 /nfs/dbraw/zinc/28/84/78/195288478.db2.gz UVMSMGNRCPFEES-UHFFFAOYSA-N 1 1 492.604 5.348 50 0 JKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2F)CC1 ZINC000021796628 195322401 /nfs/dbraw/zinc/32/24/01/195322401.db2.gz QGNPFMJQJOQUGF-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000021796730 195322432 /nfs/dbraw/zinc/32/24/32/195322432.db2.gz PRNQSUYABLVRIX-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO Cc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1 ZINC000021796468 195322464 /nfs/dbraw/zinc/32/24/64/195322464.db2.gz LZERLSAHUYIBQO-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000021796555 195322482 /nfs/dbraw/zinc/32/24/82/195322482.db2.gz QGDQKRTUFHFBSC-UHFFFAOYSA-N 1 1 495.608 5.120 50 0 JKAAMO Cc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796450 195322522 /nfs/dbraw/zinc/32/25/22/195322522.db2.gz RLCFGDQIKGAMRU-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO Cc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)c1 ZINC000021796727 195322629 /nfs/dbraw/zinc/32/26/29/195322629.db2.gz ADFXCBNHYMEXNY-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805926 195323751 /nfs/dbraw/zinc/32/37/51/195323751.db2.gz ONLSREVJOQHJKN-MHZLTWQESA-N 1 1 481.987 6.682 50 0 JKAAMO 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C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000057553690 195350698 /nfs/dbraw/zinc/35/06/98/195350698.db2.gz BUNXEENNTHHAEK-BUXKBTBVSA-N 1 1 451.336 5.495 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000058157203 195367455 /nfs/dbraw/zinc/36/74/55/195367455.db2.gz CPORBTSCXVGILK-MZNJEOGPSA-N 1 1 453.380 5.014 50 0 JKAAMO COC(=O)c1sc2nc(C[NH2+]Cc3ccc(C)cc3)nc(NCc3ccc(C)cc3)c2c1C ZINC000058219044 195374261 /nfs/dbraw/zinc/37/42/61/195374261.db2.gz IYJROSSCKXBBES-UHFFFAOYSA-N 1 1 460.603 5.305 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccc(OC)cc2)CC1 ZINC000096275451 130011793 /nfs/dbraw/zinc/01/17/93/130011793.db2.gz GPTRABGNIAFHJC-MUUNZHRXSA-N 1 1 499.630 5.523 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000096278228 130019661 /nfs/dbraw/zinc/01/96/61/130019661.db2.gz DDCOQAZTAOZQNU-LJQANCHMSA-N 1 1 463.931 5.526 50 0 JKAAMO 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CC(=O)N1CC[NH+](Cc2c(-c3ccc(C)cc3)nc3ccc(-c4ccccc4Cl)cn32)CC1 ZINC000096288323 130031988 /nfs/dbraw/zinc/03/19/88/130031988.db2.gz SHOBIGQZPWBDIC-UHFFFAOYSA-N 1 1 458.993 5.294 50 0 JKAAMO CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000096289552 130036253 /nfs/dbraw/zinc/03/62/53/130036253.db2.gz PTLIETSFIQFBIA-UHFFFAOYSA-N 1 1 466.610 5.547 50 0 JKAAMO CCC(=O)N1CC[NH+](Cc2c(-c3ccc(C)cc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000096293679 130047416 /nfs/dbraw/zinc/04/74/16/130047416.db2.gz JASGGYWFBOVBPW-UHFFFAOYSA-N 1 1 452.602 5.339 50 0 JKAAMO Cc1ccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096293684 130047447 /nfs/dbraw/zinc/04/74/47/130047447.db2.gz OJIBGBOKVFKCKN-UHFFFAOYSA-N 1 1 480.656 5.975 50 0 JKAAMO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000096343569 130073991 /nfs/dbraw/zinc/07/39/91/130073991.db2.gz WPEHEVJHESFRGZ-AJTFRIOCSA-N 1 1 498.623 5.746 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146085 518879237 /nfs/dbraw/zinc/87/92/37/518879237.db2.gz KBTBSKVYDLDWMJ-PMACEKPBSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307588 519653037 /nfs/dbraw/zinc/65/30/37/519653037.db2.gz NSVDZQKWQIXPHL-JOCHJYFZSA-N 1 1 469.601 5.405 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036306666 519717676 /nfs/dbraw/zinc/71/76/76/519717676.db2.gz FWPGTGGVCTXSJF-QFIPXVFZSA-N 1 1 483.628 5.653 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036307365 519717736 /nfs/dbraw/zinc/71/77/36/519717736.db2.gz AUJPIFFWKWJMJC-HSZRJFAPSA-N 1 1 469.601 5.262 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307394 519717821 /nfs/dbraw/zinc/71/78/21/519717821.db2.gz DGBCGSCCSNJUHW-QHCPKHFHSA-N 1 1 483.628 5.653 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308049 519717949 /nfs/dbraw/zinc/71/79/49/519717949.db2.gz FKSPQEIFPLSDDL-QHCPKHFHSA-N 1 1 451.611 5.123 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1c1cccs1 ZINC000020508386 519719860 /nfs/dbraw/zinc/71/98/60/519719860.db2.gz JZXJENSQODVAJC-PJTSNVSCSA-N 1 1 481.706 5.169 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305131 519757710 /nfs/dbraw/zinc/75/77/10/519757710.db2.gz LRRGIHOIBAUUGH-HSZRJFAPSA-N 1 1 484.040 5.531 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308137 519757729 /nfs/dbraw/zinc/75/77/29/519757729.db2.gz LAMSUZZTNUMJPM-XMMPIXPASA-N 1 1 489.616 5.508 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308137 519757730 /nfs/dbraw/zinc/75/77/30/519757730.db2.gz LAMSUZZTNUMJPM-XMMPIXPASA-N 1 1 489.616 5.508 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305117 519771566 /nfs/dbraw/zinc/77/15/66/519771566.db2.gz KCCLDSAIJXTCNS-QFIPXVFZSA-N 1 1 470.013 5.283 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305208 519771727 /nfs/dbraw/zinc/77/17/27/519771727.db2.gz BHTPWWKFJTZKPY-QHCPKHFHSA-N 1 1 484.040 5.531 50 0 JKAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306865 519771805 /nfs/dbraw/zinc/77/18/05/519771805.db2.gz FSJLUIBTYDRMIO-QFIPXVFZSA-N 1 1 467.585 5.016 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146382 519773737 /nfs/dbraw/zinc/77/37/37/519773737.db2.gz HXMYAUYHMKSGBA-UXHICEINSA-N 1 1 485.839 5.428 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306862 519773869 /nfs/dbraw/zinc/77/38/69/519773869.db2.gz FSJLUIBTYDRMIO-JOCHJYFZSA-N 1 1 467.585 5.016 50 0 JKAAMO 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CCOc1ccc(Br)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020177104 520862417 /nfs/dbraw/zinc/86/24/17/520862417.db2.gz ZSTYTOVAYAWHAK-UHFFFAOYSA-N 1 1 479.418 5.395 50 0 JKAAMO CC[NH+](CC)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000012411793 520920679 /nfs/dbraw/zinc/92/06/79/520920679.db2.gz XUXVVQOGCVEXAL-UHFFFAOYSA-N 1 1 455.393 6.329 50 0 JKAAMO CCC[C@H](C)C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022651240 520994272 /nfs/dbraw/zinc/99/42/72/520994272.db2.gz PXUWZDYWDJIWAF-FQEVSTJZSA-N 1 1 477.476 6.070 50 0 JKAAMO CCOc1ccc(NC(=O)Nc2ccc3[nH+]c(-c4ccccc4)cc(N4CCOCC4)c3c2)cc1 ZINC000033292739 521099946 /nfs/dbraw/zinc/09/99/46/521099946.db2.gz NEEILZHXYWCIAD-UHFFFAOYSA-N 1 1 468.557 5.781 50 0 JKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036303371 521180779 /nfs/dbraw/zinc/18/07/79/521180779.db2.gz ZWMCUCBEEZLCQH-QFIPXVFZSA-N 1 1 481.637 5.617 50 0 JKAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl 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/nfs/dbraw/zinc/54/20/98/521542098.db2.gz KJAHSXIFJFTXTL-UHFFFAOYSA-N 1 1 482.584 6.090 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000035470861 521664270 /nfs/dbraw/zinc/66/42/70/521664270.db2.gz VCVMWSVOAKPUIB-MHZLTWQESA-N 1 1 467.613 5.657 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307678 521678594 /nfs/dbraw/zinc/67/85/94/521678594.db2.gz XYYBSOCHTFIZRV-VWLOTQADSA-N 1 1 473.592 5.834 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036306279 521678714 /nfs/dbraw/zinc/67/87/14/521678714.db2.gz XLWGBZDUDMQCSW-JOCHJYFZSA-N 1 1 481.637 5.276 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306277 521678781 /nfs/dbraw/zinc/67/87/81/521678781.db2.gz XLWGBZDUDMQCSW-QFIPXVFZSA-N 1 1 481.637 5.276 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036304174 521679052 /nfs/dbraw/zinc/67/90/52/521679052.db2.gz UDXGHGRJBXEVJK-QHCPKHFHSA-N 1 1 487.591 5.497 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036308523 521679234 /nfs/dbraw/zinc/67/92/34/521679234.db2.gz JVWUKNGJNCOHOH-SANMLTNESA-N 1 1 455.602 5.789 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036304541 521679359 /nfs/dbraw/zinc/67/93/59/521679359.db2.gz KXQXDGCUVVQCPE-AREMUKBSSA-N 1 1 485.628 5.797 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036301896 521679421 /nfs/dbraw/zinc/67/94/21/521679421.db2.gz PEHGTNTXVUEOOM-JOCHJYFZSA-N 1 1 488.028 5.244 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036303913 521679527 /nfs/dbraw/zinc/67/95/27/521679527.db2.gz XLYVLCLPAGXWGO-XMMPIXPASA-N 1 1 481.637 5.227 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036304547 521679661 /nfs/dbraw/zinc/67/96/61/521679661.db2.gz 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COC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000016837195 521980582 /nfs/dbraw/zinc/98/05/82/521980582.db2.gz GADFEQCAVJJXJZ-UHFFFAOYSA-N 1 1 463.584 5.052 50 0 JKAAMO COC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000016837195 521980595 /nfs/dbraw/zinc/98/05/95/521980595.db2.gz GADFEQCAVJJXJZ-UHFFFAOYSA-N 1 1 463.584 5.052 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306165 522095026 /nfs/dbraw/zinc/09/50/26/522095026.db2.gz AAEIISIJRWFLFD-GGAORHGYSA-N 1 1 495.664 5.665 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308390 522098057 /nfs/dbraw/zinc/09/80/57/522098057.db2.gz STHXDYSJWCCWGU-QPPBQGQZSA-N 1 1 451.611 5.359 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036302058 522098380 /nfs/dbraw/zinc/09/83/80/522098380.db2.gz IXTRLJCWBXASNP-QPPBQGQZSA-N 1 1 481.637 5.368 50 0 JKAAMO 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CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000006135993 522243903 /nfs/dbraw/zinc/24/39/03/522243903.db2.gz KQVNSCKZIQYGDT-DQEYMECFSA-N 1 1 455.949 5.210 50 0 JKAAMO COc1cc(C[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068993 522357935 /nfs/dbraw/zinc/35/79/35/522357935.db2.gz VYIPEGWADLUXHF-UHFFFAOYSA-N 1 1 493.629 5.107 50 0 JKAAMO COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccccc1C(F)(F)F ZINC000014985032 522377022 /nfs/dbraw/zinc/37/70/22/522377022.db2.gz IWFWZWDXBMSZJL-SFHVURJKSA-N 1 1 464.528 5.145 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)ccc2c1NC(=O)C1CCCCC1 ZINC000012217593 522434830 /nfs/dbraw/zinc/43/48/30/522434830.db2.gz WUFFFPATUQDBOI-QFIPXVFZSA-N 1 1 492.645 5.724 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)ccc2c1NC(=O)C1CCCCC1 ZINC000012217593 522434845 /nfs/dbraw/zinc/43/48/45/522434845.db2.gz WUFFFPATUQDBOI-QFIPXVFZSA-N 1 1 492.645 5.724 50 0 JKAAMO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036303446 522637487 /nfs/dbraw/zinc/63/74/87/522637487.db2.gz KUTQPRLNFPHPBM-XMMPIXPASA-N 1 1 483.628 5.610 50 0 JKAAMO C[N@@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021863338 522744715 /nfs/dbraw/zinc/74/47/15/522744715.db2.gz IKJJRMXDRLIWBO-GDLZYMKVSA-N 1 1 494.680 5.066 50 0 JKAAMO CC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307938 522807232 /nfs/dbraw/zinc/80/72/32/522807232.db2.gz ZPKBXFBCRHYOAU-QFIPXVFZSA-N 1 1 451.586 5.910 50 0 JKAAMO CC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307941 522993906 /nfs/dbraw/zinc/99/39/06/522993906.db2.gz ZPKBXFBCRHYOAU-JOCHJYFZSA-N 1 1 451.586 5.910 50 0 JKAAMO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000021659400 523084899 /nfs/dbraw/zinc/08/48/99/523084899.db2.gz GAWYNSZYVSRJMW-QGZVFWFLSA-N 1 1 450.970 5.286 50 0 JKAAMO 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C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000012246043 523419039 /nfs/dbraw/zinc/41/90/39/523419039.db2.gz GEWOXPMCGXNQOG-LJAQVGFWSA-N 1 1 479.628 5.067 50 0 JKAAMO C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000012246043 523419047 /nfs/dbraw/zinc/41/90/47/523419047.db2.gz GEWOXPMCGXNQOG-LJAQVGFWSA-N 1 1 479.628 5.067 50 0 JKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307427 523734510 /nfs/dbraw/zinc/73/45/10/523734510.db2.gz MAIPHNHPUCYIJL-RUZDIDTESA-N 1 1 489.591 5.071 50 0 JKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307430 523735129 /nfs/dbraw/zinc/73/51/29/523735129.db2.gz MAIPHNHPUCYIJL-VWLOTQADSA-N 1 1 489.591 5.071 50 0 JKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000016837171 523765926 /nfs/dbraw/zinc/76/59/26/523765926.db2.gz VUGWAJZAMDSDKC-UHFFFAOYSA-N 1 1 463.628 6.052 50 0 JKAAMO COc1ccc(C)cc1NC(=O)Nc1ccc2[nH+]c(-c3ccc(C)cc3)cc(N3CCOCC3)c2c1 ZINC000033292807 523835208 /nfs/dbraw/zinc/83/52/08/523835208.db2.gz RVOGZEVCIBUCTK-UHFFFAOYSA-N 1 1 482.584 6.008 50 0 JKAAMO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccco2)C3)C1 ZINC000014952345 523841922 /nfs/dbraw/zinc/84/19/22/523841922.db2.gz VXZLVSLZWHCORE-IBGZPJMESA-N 1 1 480.992 5.355 50 0 JKAAMO CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000045943821 523852219 /nfs/dbraw/zinc/85/22/19/523852219.db2.gz ALEVNTPZWBGSHH-UHFFFAOYSA-N 1 1 494.060 5.784 50 0 JKAAMO CC[C@H](C)[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167809 523941843 /nfs/dbraw/zinc/94/18/43/523941843.db2.gz DXABFDMELMRITC-NRFANRHFSA-N 1 1 491.578 6.651 50 0 JKAAMO CCc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069220 523972090 /nfs/dbraw/zinc/97/20/90/523972090.db2.gz CJYHRCJIBUHJEA-UHFFFAOYSA-N 1 1 450.970 5.146 50 0 JKAAMO CCc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069220 523972095 /nfs/dbraw/zinc/97/20/95/523972095.db2.gz CJYHRCJIBUHJEA-UHFFFAOYSA-N 1 1 450.970 5.146 50 0 JKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000035681701 523980063 /nfs/dbraw/zinc/98/00/63/523980063.db2.gz JDGYDMRUSRLMKG-UHFFFAOYSA-N 1 1 454.961 6.404 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2-c2nc3ccccc3s2)C1 ZINC000033077524 523995727 /nfs/dbraw/zinc/99/57/27/523995727.db2.gz GGKUIICMZNDJAI-UHFFFAOYSA-N 1 1 496.082 7.133 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2-c2nc3ccccc3s2)C1 ZINC000033077524 523995732 /nfs/dbraw/zinc/99/57/32/523995732.db2.gz GGKUIICMZNDJAI-UHFFFAOYSA-N 1 1 496.082 7.133 50 0 JKAAMO CC[C@H](C)NC(=O)c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C)cc2C)n1 ZINC000036064038 524000813 /nfs/dbraw/zinc/00/08/13/524000813.db2.gz SIERESGGMDOEGS-NRFANRHFSA-N 1 1 458.606 5.546 50 0 JKAAMO CC[C@H](C)NC(=O)c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C)cc2C)n1 ZINC000036064038 524000818 /nfs/dbraw/zinc/00/08/18/524000818.db2.gz SIERESGGMDOEGS-NRFANRHFSA-N 1 1 458.606 5.546 50 0 JKAAMO C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000006102556 524003238 /nfs/dbraw/zinc/00/32/38/524003238.db2.gz WGPFYZQLPGSTMJ-QFIPXVFZSA-N 1 1 495.859 6.219 50 0 JKAAMO C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000006102556 524003239 /nfs/dbraw/zinc/00/32/39/524003239.db2.gz WGPFYZQLPGSTMJ-QFIPXVFZSA-N 1 1 495.859 6.219 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C2CC2)cc1 ZINC000036156184 524014626 /nfs/dbraw/zinc/01/46/26/524014626.db2.gz ZURMGJZPGNJPFJ-UHFFFAOYSA-N 1 1 475.535 6.015 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036156189 524014927 /nfs/dbraw/zinc/01/49/27/524014927.db2.gz PVFXOFSGGSBXEW-UHFFFAOYSA-N 1 1 451.613 5.860 50 0 JKAAMO CN(C)C(=O)c1cc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc(NC(=O)c2ccccn2)c1 ZINC000014994439 524018218 /nfs/dbraw/zinc/01/82/18/524018218.db2.gz MOTVBRXOBDUOFB-UHFFFAOYSA-N 1 1 488.975 5.239 50 0 JKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1OC ZINC000038547699 524100632 /nfs/dbraw/zinc/10/06/32/524100632.db2.gz FXUJWAXHKIXBBC-HSZRJFAPSA-N 1 1 477.586 6.132 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139909 524103736 /nfs/dbraw/zinc/10/37/36/524103736.db2.gz BWCGOULDHLYOEY-LJQANCHMSA-N 1 1 497.064 6.068 50 0 JKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022790520 524275247 /nfs/dbraw/zinc/27/52/47/524275247.db2.gz YFGJZVPOXSHOIU-NRFANRHFSA-N 1 1 464.009 5.031 50 0 JKAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000021880364 524347889 /nfs/dbraw/zinc/34/78/89/524347889.db2.gz CURMYLSAJZNQSQ-UHFFFAOYSA-N 1 1 495.693 5.227 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000009962683 524363757 /nfs/dbraw/zinc/36/37/57/524363757.db2.gz PXENOSPDLHVTGW-BGYRXZFFSA-N 1 1 455.643 5.321 50 0 JKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc3[nH+]c(-c4ccccc4)cc(N4CCOCC4)c3c2)c1 ZINC000033292764 524430532 /nfs/dbraw/zinc/43/05/32/524430532.db2.gz PPQLRUIKZSZMND-UHFFFAOYSA-N 1 1 452.558 5.999 50 0 JKAAMO COc1ccccc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)CC(C)C ZINC000036167826 524442869 /nfs/dbraw/zinc/44/28/69/524442869.db2.gz WZCPPWJFMFEQDZ-UHFFFAOYSA-N 1 1 491.578 6.509 50 0 JKAAMO Cc1ccc(C[N@@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)o1 ZINC000012200871 524463419 /nfs/dbraw/zinc/46/34/19/524463419.db2.gz DNSSOURIPBCXHS-JOCHJYFZSA-N 1 1 461.583 6.032 50 0 JKAAMO Cc1ccc(C[N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)o1 ZINC000012200871 524463425 /nfs/dbraw/zinc/46/34/25/524463425.db2.gz DNSSOURIPBCXHS-JOCHJYFZSA-N 1 1 461.583 6.032 50 0 JKAAMO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4c(F)cccc4F)CC3)ccc2o1 ZINC000014987072 524625530 /nfs/dbraw/zinc/62/55/30/524625530.db2.gz GBZITDQWTYUNMK-UHFFFAOYSA-N 1 1 492.522 5.456 50 0 JKAAMO COc1ccccc1Oc1c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c2ccccc2)nn1C ZINC000036305682 524693843 /nfs/dbraw/zinc/69/38/43/524693843.db2.gz CIPMHZHZLWZOJC-HSZRJFAPSA-N 1 1 481.637 5.132 50 0 JKAAMO COc1ccccc1Oc1c(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c2ccccc2)nn1C ZINC000036305694 524694395 /nfs/dbraw/zinc/69/43/95/524694395.db2.gz CNWHEUSYTKVOGB-DEOSSOPVSA-N 1 1 495.664 5.380 50 0 JKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(Cl)c2)[nH+]1 ZINC000043220770 524695158 /nfs/dbraw/zinc/69/51/58/524695158.db2.gz HBPUGWPTKZWGCT-XMMPIXPASA-N 1 1 478.017 7.031 50 0 JKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302112 524695473 /nfs/dbraw/zinc/69/54/73/524695473.db2.gz HSWHGPMTPQKIRN-AREMUKBSSA-N 1 1 483.612 5.550 50 0 JKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)c(-c2ccccc2)nn1C ZINC000036305833 524696088 /nfs/dbraw/zinc/69/60/88/524696088.db2.gz MDBWPPWLCAXFNE-RUZDIDTESA-N 1 1 483.612 5.456 50 0 JKAAMO Cc1cccc(N[C@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)[nH+]1 ZINC000035476883 524697405 /nfs/dbraw/zinc/69/74/05/524697405.db2.gz USPBTVDZORQOPQ-XMMPIXPASA-N 1 1 459.640 6.846 50 0 JKAAMO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306439 524785483 /nfs/dbraw/zinc/78/54/83/524785483.db2.gz OCAFUBNEJYIGEN-XMMPIXPASA-N 1 1 463.622 5.186 50 0 JKAAMO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306388 524785683 /nfs/dbraw/zinc/78/56/83/524785683.db2.gz SSBZTAZYCVQFPS-QHCPKHFHSA-N 1 1 451.611 5.184 50 0 JKAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000034683698 524823993 /nfs/dbraw/zinc/82/39/93/524823993.db2.gz OQVJIECTHLAGBP-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO Cc1ccc(F)cc1NC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000014991446 524858275 /nfs/dbraw/zinc/85/82/75/524858275.db2.gz PCRVGHCVRUZNRJ-LJQANCHMSA-N 1 1 490.575 5.779 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683798 524889904 /nfs/dbraw/zinc/88/99/04/524889904.db2.gz FAQBMIPUFCCLEC-UHFFFAOYSA-N 1 1 469.050 5.817 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[NH2+][C@H](c3cc(OC)ccc3OC)C[C@](O)(c3ccccc3OC)[C@H]2C)c1 ZINC000043193534 524900356 /nfs/dbraw/zinc/90/03/56/524900356.db2.gz QJHGSBGTDQYCNJ-KCGAKTLNSA-N 1 1 493.600 5.029 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306100 524988707 /nfs/dbraw/zinc/98/87/07/524988707.db2.gz IBDZKWFUZIXBEX-VWLOTQADSA-N 1 1 485.628 5.702 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)Cc3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304623 524990123 /nfs/dbraw/zinc/99/01/23/524990123.db2.gz NNSBCKQMPKWOCF-MHZLTWQESA-N 1 1 497.639 5.797 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305937 524990356 /nfs/dbraw/zinc/99/03/56/524990356.db2.gz CFBPMXBHXIQEGH-HSZRJFAPSA-N 1 1 481.637 5.132 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306210 524991023 /nfs/dbraw/zinc/99/10/23/524991023.db2.gz LMSYBODRIUOUGW-QFIPXVFZSA-N 1 1 479.621 5.028 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305952 524991069 /nfs/dbraw/zinc/99/10/69/524991069.db2.gz OGPYMBGMTWYCTG-XMMPIXPASA-N 1 1 495.664 5.380 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)Cc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306190 524992341 /nfs/dbraw/zinc/99/23/41/524992341.db2.gz YTBDWURRJLQOON-RUZDIDTESA-N 1 1 483.612 5.456 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306097 524992758 /nfs/dbraw/zinc/99/27/58/524992758.db2.gz IBDZKWFUZIXBEX-RUZDIDTESA-N 1 1 485.628 5.702 50 0 JKAAMO 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Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[N@@H+](CCc4ccncc4)CC3)n2)cc1 ZINC000041155318 525826926 /nfs/dbraw/zinc/82/69/26/525826926.db2.gz SMORXJJMXPDEMM-UHFFFAOYSA-N 1 1 490.611 5.410 50 0 JKAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000033139725 525828396 /nfs/dbraw/zinc/82/83/96/525828396.db2.gz RWUISIBLMOKVGQ-UHFFFAOYSA-N 1 1 489.023 5.218 50 0 JKAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3C)n2)cc1Cl ZINC000036147836 525877309 /nfs/dbraw/zinc/87/73/09/525877309.db2.gz VSROSPJJAJHAHJ-OAQYLSRUSA-N 1 1 481.980 5.084 50 0 JKAAMO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@@H+](C)Cc3cccs3)cc2)cc1 ZINC000014989753 526091672 /nfs/dbraw/zinc/09/16/72/526091672.db2.gz LNQVYSINXXADOT-RUZDIDTESA-N 1 1 462.659 6.152 50 0 JKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)CC1 ZINC000016617590 526098244 /nfs/dbraw/zinc/09/82/44/526098244.db2.gz JJIZZIQWRIDMOC-MRXNPFEDSA-N 1 1 499.061 5.602 50 0 JKAAMO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)CCc4ccccc4)cc3)C2)s1 ZINC000014961675 526104639 /nfs/dbraw/zinc/10/46/39/526104639.db2.gz HGBFLLPSTRVPHL-VWLOTQADSA-N 1 1 462.659 5.662 50 0 JKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000014881802 526153010 /nfs/dbraw/zinc/15/30/10/526153010.db2.gz IWWMJGYSWWVUET-HXUWFJFHSA-N 1 1 498.652 5.904 50 0 JKAAMO Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452576 526172674 /nfs/dbraw/zinc/17/26/74/526172674.db2.gz YQEOUMUPSZTUCI-LJQANCHMSA-N 1 1 464.606 5.682 50 0 JKAAMO COc1cccc(O[C@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)c1 ZINC000034728549 526240447 /nfs/dbraw/zinc/24/04/47/526240447.db2.gz JFJIZZLPYQQIES-HHHXNRCGSA-N 1 1 451.010 5.677 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305431 526240965 /nfs/dbraw/zinc/24/09/65/526240965.db2.gz OWFZEDLUGJSNSI-HSZRJFAPSA-N 1 1 481.637 5.132 50 0 JKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH+]5CCC(Cc6ccccc6)CC5)C4=O)cc3)sc2c1 ZINC000019890024 526241069 /nfs/dbraw/zinc/24/10/69/526241069.db2.gz LSCFVOLVYMMMHD-AREMUKBSSA-N 1 1 495.648 5.858 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305452 526241467 /nfs/dbraw/zinc/24/14/67/526241467.db2.gz PASUJWBQTKVVOT-QFIPXVFZSA-N 1 1 481.637 5.274 50 0 JKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)Cc4ccccc4)nc(=O)c23)c1 ZINC000036206494 526256401 /nfs/dbraw/zinc/25/64/01/526256401.db2.gz SDQAFDJZLRZEAK-QFIPXVFZSA-N 1 1 475.658 5.330 50 0 JKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COc4ccccc4)nc(=O)c23)c1 ZINC000036207987 526256470 /nfs/dbraw/zinc/25/64/70/526256470.db2.gz HUTLOAGOFYCAGR-OAQYLSRUSA-N 1 1 491.657 5.166 50 0 JKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COc4ccccc4)nc(=O)c23)c1 ZINC000036207987 526256471 /nfs/dbraw/zinc/25/64/71/526256471.db2.gz HUTLOAGOFYCAGR-OAQYLSRUSA-N 1 1 491.657 5.166 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146359 526284846 /nfs/dbraw/zinc/28/48/46/526284846.db2.gz ZQCLRAVGBPZHNP-GOTSBHOMSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146359 526284847 /nfs/dbraw/zinc/28/48/47/526284847.db2.gz ZQCLRAVGBPZHNP-GOTSBHOMSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146247 526285223 /nfs/dbraw/zinc/28/52/23/526285223.db2.gz ATHVCOCDINHFLE-ZEQRLZLVSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146593 526287385 /nfs/dbraw/zinc/28/73/85/526287385.db2.gz DVHMFWPEHCPBRK-RBBKRZOGSA-N 1 1 489.399 5.159 50 0 JKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146591 526291525 /nfs/dbraw/zinc/29/15/25/526291525.db2.gz ZOVLEOYLRJQEPK-JTHBVZDNSA-N 1 1 485.411 5.429 50 0 JKAAMO Fc1ccc2[nH]c3c(ncnc3N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1 ZINC000020439340 526368574 /nfs/dbraw/zinc/36/85/74/526368574.db2.gz NQHVNCPTDFLEKF-AREMUKBSSA-N 1 1 471.967 5.815 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000012374699 526423045 /nfs/dbraw/zinc/42/30/45/526423045.db2.gz PMRMMWVUQKTXJX-OXQOHEQNSA-N 1 1 492.929 5.490 50 0 JKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014750106 526425132 /nfs/dbraw/zinc/42/51/32/526425132.db2.gz VEBQUWMSBUNPAS-LITSAYRRSA-N 1 1 468.641 5.051 50 0 JKAAMO O=C(NCc1ccc(F)cc1)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000033292756 526672882 /nfs/dbraw/zinc/67/28/82/526672882.db2.gz ZMAHPIVWDJBBDN-UHFFFAOYSA-N 1 1 456.521 5.199 50 0 JKAAMO O=C(c1ccc(N2CCC([N@H+]3CCCC[C@H]3c3ccccn3)CC2)cc1)N1CCc2ccccc2C1 ZINC000014978625 526696548 /nfs/dbraw/zinc/69/65/48/526696548.db2.gz IXTPOZCRTUUVRQ-PMERELPUSA-N 1 1 480.656 5.476 50 0 JKAAMO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796319 526794349 /nfs/dbraw/zinc/79/43/49/526794349.db2.gz JQNNLMUXFVYJJX-UHFFFAOYSA-N 1 1 459.553 5.050 50 0 JKAAMO O=C(c1cccs1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796361 526837090 /nfs/dbraw/zinc/83/70/90/526837090.db2.gz DCFWNDWAFNSFJM-UHFFFAOYSA-N 1 1 465.582 5.111 50 0 JKAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432009 526842029 /nfs/dbraw/zinc/84/20/29/526842029.db2.gz IWVOGAYQIKNEMP-UHFFFAOYSA-N 1 1 487.962 5.970 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccc(Cl)c2)c1C ZINC000038547562 526884560 /nfs/dbraw/zinc/88/45/60/526884560.db2.gz CKAPJEITMINALJ-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc3c(c2)OCO3)c1C ZINC000035476907 526884634 /nfs/dbraw/zinc/88/46/34/526884634.db2.gz CEJQQZBTMSWKQK-RUZDIDTESA-N 1 1 471.582 6.251 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021794360 527002622 /nfs/dbraw/zinc/00/26/22/527002622.db2.gz WCPPMJOSYLZKRA-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794360 527002628 /nfs/dbraw/zinc/00/26/28/527002628.db2.gz WCPPMJOSYLZKRA-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000033326754 527003735 /nfs/dbraw/zinc/00/37/35/527003735.db2.gz VNYHYCUNAIPRJT-UHFFFAOYSA-N 1 1 474.565 5.688 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(NC2CCCCC2)[nH+]1 ZINC000033326754 527003741 /nfs/dbraw/zinc/00/37/41/527003741.db2.gz VNYHYCUNAIPRJT-UHFFFAOYSA-N 1 1 474.565 5.688 50 0 JKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021794207 527003763 /nfs/dbraw/zinc/00/37/63/527003763.db2.gz DEKISFQGUDAZSX-UHFFFAOYSA-N 1 1 452.356 5.144 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794207 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FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)c1 ZINC000002714189 554299688 /nfs/dbraw/zinc/29/96/88/554299688.db2.gz YJEGPADMISOJHS-UHFFFAOYSA-N 1 1 499.540 6.433 50 0 JKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)C[C@@H]2C)cc1 ZINC000002714459 554300034 /nfs/dbraw/zinc/30/00/34/554300034.db2.gz CFCAXJZMKBYLKK-QFIPXVFZSA-N 1 1 494.042 6.764 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002714299 554300086 /nfs/dbraw/zinc/30/00/86/554300086.db2.gz HEBUEPDFPLQFHI-UHFFFAOYSA-N 1 1 463.560 5.862 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000002714495 554300088 /nfs/dbraw/zinc/30/00/88/554300088.db2.gz AGJIHGOKLPTLCN-UHFFFAOYSA-N 1 1 499.368 6.191 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)C[C@@H]2C)c1 ZINC000002714622 554300455 /nfs/dbraw/zinc/30/04/55/554300455.db2.gz CNFLOLIVPDKFGO-QFIPXVFZSA-N 1 1 494.042 6.764 50 0 JKAAMO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 ZINC000002715083 554300778 /nfs/dbraw/zinc/30/07/78/554300778.db2.gz BPZAMYINPAWOPS-ROUUACIJSA-N 1 1 461.407 6.332 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000002715165 554301117 /nfs/dbraw/zinc/30/11/17/554301117.db2.gz JDUMSDVHCOCUAB-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002735909 554319116 /nfs/dbraw/zinc/31/91/16/554319116.db2.gz IJRYCIXFVOIROC-FQEVSTJZSA-N 1 1 477.508 5.171 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002785303 554343735 /nfs/dbraw/zinc/34/37/35/554343735.db2.gz QCVIRPUYBZGICY-HXUWFJFHSA-N 1 1 478.401 5.459 50 0 JKAAMO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C[NH2+]Cc1ccco1 ZINC000003210362 554431412 /nfs/dbraw/zinc/43/14/12/554431412.db2.gz UQRQZTHZLXLZEK-UHFFFAOYSA-N 1 1 460.555 5.580 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+](C)C)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000008396651 554571457 /nfs/dbraw/zinc/57/14/57/554571457.db2.gz FMMXHPOPUZLYIL-MRXNPFEDSA-N 1 1 457.640 5.050 50 0 JKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000008426682 554581799 /nfs/dbraw/zinc/58/17/99/554581799.db2.gz KQJPJYYQRQZVAG-GOTSBHOMSA-N 1 1 481.770 6.451 50 0 JKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000008426684 554581826 /nfs/dbraw/zinc/58/18/26/554581826.db2.gz KQJPJYYQRQZVAG-PKTZIBPZSA-N 1 1 481.770 6.451 50 0 JKAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000008739637 554641517 /nfs/dbraw/zinc/64/15/17/554641517.db2.gz VRSQERDXHFMAAL-WEYGHZABSA-N 1 1 469.840 5.547 50 0 biogenic JKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000008754266 554656171 /nfs/dbraw/zinc/65/61/71/554656171.db2.gz KZNBPVRNIXGECF-DAYGRLMNSA-N 1 1 494.271 5.658 50 0 JKAAMO CC(C)(Cc1ccccc1)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000008762677 554662697 /nfs/dbraw/zinc/66/26/97/554662697.db2.gz BNZBMEAXYPORLG-GMQQYTKMSA-N 1 1 492.660 5.153 50 0 biogenic JKAAMO CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789081 554681143 /nfs/dbraw/zinc/68/11/43/554681143.db2.gz IQWDZXKZGAIZNS-NGVCODNXSA-N 1 1 483.737 6.578 50 0 biogenic JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812695 554694427 /nfs/dbraw/zinc/69/44/27/554694427.db2.gz DZWRGJLUOKPPIJ-HDICACEKSA-N 1 1 454.039 6.032 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000008813041 554695095 /nfs/dbraw/zinc/69/50/95/554695095.db2.gz CIRWKDHYTBFEGF-UHFFFAOYSA-N 1 1 452.602 5.719 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCC[N@@H+](C)CCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813155 554695356 /nfs/dbraw/zinc/69/53/56/554695356.db2.gz STQOVQPWOMWYEI-UHFFFAOYSA-N 1 1 457.643 5.895 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000008817508 554700391 /nfs/dbraw/zinc/70/03/91/554700391.db2.gz IZYASTVBCVBFJY-NRFANRHFSA-N 1 1 483.977 5.046 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000008817508 554700393 /nfs/dbraw/zinc/70/03/93/554700393.db2.gz IZYASTVBCVBFJY-NRFANRHFSA-N 1 1 483.977 5.046 50 0 JKAAMO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@@H]1C ZINC000008846648 554745479 /nfs/dbraw/zinc/74/54/79/554745479.db2.gz OWHQBCQPONVLOQ-INIZCTEOSA-N 1 1 471.395 5.650 50 0 JKAAMO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@H]1C ZINC000008846649 554745579 /nfs/dbraw/zinc/74/55/79/554745579.db2.gz OWHQBCQPONVLOQ-MRXNPFEDSA-N 1 1 471.395 5.650 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000008918702 554815518 /nfs/dbraw/zinc/81/55/18/554815518.db2.gz OYOSFXQMLGPBLC-WOJBJXKFSA-N 1 1 481.706 6.273 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000008918702 554815519 /nfs/dbraw/zinc/81/55/19/554815519.db2.gz OYOSFXQMLGPBLC-WOJBJXKFSA-N 1 1 481.706 6.273 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919218 554815937 /nfs/dbraw/zinc/81/59/37/554815937.db2.gz RXKMCOTXGAOQOZ-HNNXBMFYSA-N 1 1 490.467 5.455 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000008923126 554820445 /nfs/dbraw/zinc/82/04/45/554820445.db2.gz WGXGMUHKXAAJEQ-SANMLTNESA-N 1 1 497.620 6.316 50 0 JKAAMO Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc1 ZINC000008923485 554820590 /nfs/dbraw/zinc/82/05/90/554820590.db2.gz GJMLPEOIEVGGIN-HSZRJFAPSA-N 1 1 461.587 5.471 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008927607 554824985 /nfs/dbraw/zinc/82/49/85/554824985.db2.gz ZLVGSVVHGQEJHR-FQEVSTJZSA-N 1 1 461.509 6.222 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008927649 554825187 /nfs/dbraw/zinc/82/51/87/554825187.db2.gz JCQVZUKKULENAM-LJQANCHMSA-N 1 1 458.381 5.578 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000008964462 554838512 /nfs/dbraw/zinc/83/85/12/554838512.db2.gz RXLGJHRPYZIAAS-VSDWSMLSSA-N 1 1 465.634 5.590 50 0 biogenic JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000009065229 554885299 /nfs/dbraw/zinc/88/52/99/554885299.db2.gz XCEBCTIYYLOEJT-FQEVSTJZSA-N 1 1 453.951 5.038 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000009065229 554885301 /nfs/dbraw/zinc/88/53/01/554885301.db2.gz XCEBCTIYYLOEJT-FQEVSTJZSA-N 1 1 453.951 5.038 50 0 JKAAMO Cc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000009076027 554887169 /nfs/dbraw/zinc/88/71/69/554887169.db2.gz CVXLMFCXTSELCS-TYDKCCNCSA-N 1 1 497.614 7.014 50 0 JKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152952 554941701 /nfs/dbraw/zinc/94/17/01/554941701.db2.gz METKOSQHZYVTAQ-UHFFFAOYSA-N 1 1 481.040 5.698 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158757 554948583 /nfs/dbraw/zinc/94/85/83/554948583.db2.gz PFLHLGZYSZANII-USOMCTOXSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158757 554948585 /nfs/dbraw/zinc/94/85/85/554948585.db2.gz PFLHLGZYSZANII-USOMCTOXSA-N 1 1 474.601 5.164 50 0 JKAAMO CC[NH+]1CCN(c2nc(SC)nc3c2sc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000009159660 554949325 /nfs/dbraw/zinc/94/93/25/554949325.db2.gz YFCKIMZQCLEGOY-UHFFFAOYSA-N 1 1 471.696 5.078 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211952 554981983 /nfs/dbraw/zinc/98/19/83/554981983.db2.gz LHVDBMIJMRAMJC-SZPZYZBQSA-N 1 1 491.701 6.349 50 0 JKAAMO Cc1csc(SCc2c3ccccc3oc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000009217448 554986021 /nfs/dbraw/zinc/98/60/21/554986021.db2.gz HBGAHUGHEJZEIX-LJQANCHMSA-N 1 1 467.616 5.650 50 0 JKAAMO CC[NH+]1CCN(c2nc(SC)nc3c2sc2nc(CC(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000009234622 555008196 /nfs/dbraw/zinc/00/81/96/555008196.db2.gz QRNLLTHWBUJSMF-UHFFFAOYSA-N 1 1 485.723 5.153 50 0 JKAAMO Cc1c(C(=O)N2CCOCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)sc1-c1ccccc1 ZINC000009257557 555033793 /nfs/dbraw/zinc/03/37/93/555033793.db2.gz AWHNFQYFOWQNER-HXUWFJFHSA-N 1 1 495.670 5.033 50 0 JKAAMO Cc1c(C(=O)N2CCOCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)sc1-c1ccccc1 ZINC000009257557 555033795 /nfs/dbraw/zinc/03/37/95/555033795.db2.gz AWHNFQYFOWQNER-HXUWFJFHSA-N 1 1 495.670 5.033 50 0 JKAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000009314443 555089650 /nfs/dbraw/zinc/08/96/50/555089650.db2.gz JDUXMMKQSBAFIY-HHHXNRCGSA-N 1 1 471.601 5.181 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009344401 555109644 /nfs/dbraw/zinc/10/96/44/555109644.db2.gz NJJKQFBRHBCMHH-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000009344645 555110142 /nfs/dbraw/zinc/11/01/42/555110142.db2.gz CFUXGCBJBNJCCV-FTJBHMTQSA-N 1 1 468.582 5.530 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345917 555112556 /nfs/dbraw/zinc/11/25/56/555112556.db2.gz YRVWQWKRUAXJQE-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@@H]5CC)cc4sc3n2)cc1 ZINC000009406632 555167143 /nfs/dbraw/zinc/16/71/43/555167143.db2.gz JIBMQYUIZDSSNP-QFIPXVFZSA-N 1 1 490.673 5.999 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406634 555167197 /nfs/dbraw/zinc/16/71/97/555167197.db2.gz MRZYAWVJWSYLMZ-LJQANCHMSA-N 1 1 476.646 5.609 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@H]5CC)cc4sc3n2)cc1 ZINC000009406631 555167228 /nfs/dbraw/zinc/16/72/28/555167228.db2.gz JIBMQYUIZDSSNP-JOCHJYFZSA-N 1 1 490.673 5.999 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)cc21 ZINC000009408671 555171537 /nfs/dbraw/zinc/17/15/37/555171537.db2.gz MOZSSRGUUHHHPQ-NDEPHWFRSA-N 1 1 494.635 5.979 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+]3CC=C(c4ccccc4)CC3)cc21 ZINC000009408671 555171538 /nfs/dbraw/zinc/17/15/38/555171538.db2.gz MOZSSRGUUHHHPQ-NDEPHWFRSA-N 1 1 494.635 5.979 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433048 555202799 /nfs/dbraw/zinc/20/27/99/555202799.db2.gz NKHANABDLBUCCV-SVBPBHIXSA-N 1 1 489.685 5.323 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433045 555202809 /nfs/dbraw/zinc/20/28/09/555202809.db2.gz NKHANABDLBUCCV-KAYWLYCHSA-N 1 1 489.685 5.323 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433599 555203814 /nfs/dbraw/zinc/20/38/14/555203814.db2.gz GGFMFBIMQUCBSQ-IZZNHLLZSA-N 1 1 481.706 5.600 50 0 JKAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009461805 555230195 /nfs/dbraw/zinc/23/01/95/555230195.db2.gz OLAOPWAHZBAODJ-DHIUTWEWSA-N 1 1 475.321 5.392 50 0 JKAAMO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000009475214 555257388 /nfs/dbraw/zinc/25/73/88/555257388.db2.gz DUEQQVOKKHBAQN-UHFFFAOYSA-N 1 1 459.525 5.259 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000009495806 555280489 /nfs/dbraw/zinc/28/04/89/555280489.db2.gz GHPLSOAYGOWYSA-ZEQRLZLVSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000009531091 555325934 /nfs/dbraw/zinc/32/59/34/555325934.db2.gz NXXRGYAODZRVCB-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000009546372 555341748 /nfs/dbraw/zinc/34/17/48/555341748.db2.gz OGSZEJYMNPPRSD-KDURUIRLSA-N 1 1 468.066 6.422 50 0 JKAAMO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009642890 555355938 /nfs/dbraw/zinc/35/59/38/555355938.db2.gz BDUKMJOIHDCHMS-UHFFFAOYSA-N 1 1 496.655 5.169 50 0 JKAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@@H+]4CCC[C@@H]4c4cccs4)c3)[nH]c(=O)c2c1C ZINC000009645035 555357808 /nfs/dbraw/zinc/35/78/08/555357808.db2.gz MKXNCQIDMWFGLA-GOSISDBHSA-N 1 1 464.616 5.106 50 0 JKAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@H+]4CCC[C@@H]4c4cccs4)c3)[nH]c(=O)c2c1C ZINC000009645035 555357810 /nfs/dbraw/zinc/35/78/10/555357810.db2.gz MKXNCQIDMWFGLA-GOSISDBHSA-N 1 1 464.616 5.106 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](c3nccn3C)c3ccccc3)c2c1C ZINC000009647474 555361335 /nfs/dbraw/zinc/36/13/35/555361335.db2.gz AIMXCYYDCUVTQF-HSZRJFAPSA-N 1 1 460.651 5.475 50 0 JKAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(C)C)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000013347078 555377371 /nfs/dbraw/zinc/37/73/71/555377371.db2.gz PZPXYOPTLRPDSE-UHFFFAOYSA-N 1 1 466.699 5.858 50 0 JKAAMO C[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369302 555391103 /nfs/dbraw/zinc/39/11/03/555391103.db2.gz NLIPPIIJYHHBQS-FQEVSTJZSA-N 1 1 473.020 5.482 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674065 555398587 /nfs/dbraw/zinc/39/85/87/555398587.db2.gz VJHZRYNRITZPAE-NRFANRHFSA-N 1 1 476.665 5.383 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000009674060 555398598 /nfs/dbraw/zinc/39/85/98/555398598.db2.gz SXNVDBUCKLPZIX-UHFFFAOYSA-N 1 1 498.671 5.640 50 0 JKAAMO Cc1cccc(-c2nc3ccc(C(=O)NCC[N@H+](C)C4CCCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589485 555402752 /nfs/dbraw/zinc/40/27/52/555402752.db2.gz VFIGOMKQVHEAJQ-UHFFFAOYSA-N 1 1 492.667 6.575 50 0 JKAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c(OC)c1 ZINC000009680663 555408553 /nfs/dbraw/zinc/40/85/53/555408553.db2.gz CERLAXXOQDJKDM-BGYRXZFFSA-N 1 1 476.621 5.093 50 0 JKAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009598060 555415739 /nfs/dbraw/zinc/41/57/39/555415739.db2.gz DHQNQYKXEWHQNP-UHFFFAOYSA-N 1 1 492.442 5.514 50 0 JKAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000009713612 555440301 /nfs/dbraw/zinc/44/03/01/555440301.db2.gz AXNJUWXMPSHJEM-DEOSSOPVSA-N 1 1 487.604 5.321 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713580 555440339 /nfs/dbraw/zinc/44/03/39/555440339.db2.gz IHCSIXUVCBRRAZ-VWLOTQADSA-N 1 1 499.640 5.190 50 0 JKAAMO Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713579 555440360 /nfs/dbraw/zinc/44/03/60/555440360.db2.gz VPULVSAXLGUTFJ-RUZDIDTESA-N 1 1 483.641 5.490 50 0 JKAAMO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511580 555483278 /nfs/dbraw/zinc/48/32/78/555483278.db2.gz QMYJRGWDZJUCJC-PFPZSTESSA-N 1 1 452.639 5.032 50 0 JKAAMO S=C(Nc1ccc(Nc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019840860 555508682 /nfs/dbraw/zinc/50/86/82/555508682.db2.gz DQVWSPDMWLXVDX-UHFFFAOYSA-N 1 1 478.665 6.534 50 0 JKAAMO S=C(Nc1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019841141 555509104 /nfs/dbraw/zinc/50/91/04/555509104.db2.gz WPTDWHXEQUKQNM-UHFFFAOYSA-N 1 1 466.448 5.553 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2)cc1OC ZINC000013571618 555509986 /nfs/dbraw/zinc/50/99/86/555509986.db2.gz TUYWECAZZNMONE-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO CC(C)(C)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1 ZINC000019877214 555524246 /nfs/dbraw/zinc/52/42/46/555524246.db2.gz YOWCUMSXXLHFRR-UHFFFAOYSA-N 1 1 468.685 6.829 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019879503 555525114 /nfs/dbraw/zinc/52/51/14/555525114.db2.gz DOQQOUIZNMDRQW-AREMUKBSSA-N 1 1 486.641 5.512 50 0 JKAAMO COc1cccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)c1 ZINC000013660529 555556255 /nfs/dbraw/zinc/55/62/55/555556255.db2.gz RJGOHYJSNQTSDS-IMBQCAHCSA-N 1 1 477.633 6.436 50 0 JKAAMO Clc1ccc([C@H](c2ccccc2Cl)n2nnnc2C2([NH2+]Cc3ccccc3)CCCCC2)cc1 ZINC000009969702 555566281 /nfs/dbraw/zinc/56/62/81/555566281.db2.gz QHQBSEPBNNSUCX-RUZDIDTESA-N 1 1 492.454 6.567 50 0 JKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000013689506 555583190 /nfs/dbraw/zinc/58/31/90/555583190.db2.gz BZAHCLJEYYVCBQ-FTFCHFIQSA-N 1 1 475.661 7.045 50 0 JKAAMO CN(C(=S)NCCC[NH+]1CCOCC1)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000013690478 555584473 /nfs/dbraw/zinc/58/44/73/555584473.db2.gz MCRVSVRNRBHWBE-NTKDMRAZSA-N 1 1 492.516 5.489 50 0 JKAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000020027322 555603502 /nfs/dbraw/zinc/60/35/02/555603502.db2.gz UOTXYUQUXXEGBS-AREMUKBSSA-N 1 1 481.003 5.381 50 0 JKAAMO O=C(CSc1nc2ccccc2s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013776780 555616775 /nfs/dbraw/zinc/61/67/75/555616775.db2.gz UWPJXWGXAZBMSE-UHFFFAOYSA-N 1 1 459.640 5.322 50 0 JKAAMO C/C(Cl)=C/CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020057747 555620723 /nfs/dbraw/zinc/62/07/23/555620723.db2.gz JCYDEJRUSKWZOJ-AQTBWJFISA-N 1 1 494.085 6.240 50 0 JKAAMO C/C(Cl)=C/CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020057747 555620725 /nfs/dbraw/zinc/62/07/25/555620725.db2.gz JCYDEJRUSKWZOJ-AQTBWJFISA-N 1 1 494.085 6.240 50 0 JKAAMO Brc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000013809696 555623974 /nfs/dbraw/zinc/62/39/74/555623974.db2.gz HFCWVXWVLFCWKC-DHIUTWEWSA-N 1 1 457.331 5.253 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OCC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000013811119 555627238 /nfs/dbraw/zinc/62/72/38/555627238.db2.gz LFMBLQPIDQGMHY-WUFINQPMSA-N 1 1 496.567 5.297 50 0 JKAAMO COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000013811263 555627506 /nfs/dbraw/zinc/62/75/06/555627506.db2.gz DWNYDRVGEOFHSO-RPWUZVMVSA-N 1 1 488.906 5.070 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000013811422 555628041 /nfs/dbraw/zinc/62/80/41/555628041.db2.gz BDIZVKCFHCQOAW-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000010215043 555648748 /nfs/dbraw/zinc/64/87/48/555648748.db2.gz YHUOLMUFSXWPDR-NRFANRHFSA-N 1 1 462.855 5.557 50 0 JKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112183 555649208 /nfs/dbraw/zinc/64/92/08/555649208.db2.gz NBJASNUKULGOJS-QJLMVVSCSA-N 1 1 484.684 5.708 50 0 biogenic JKAAMO COc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1OC ZINC000020178332 555683767 /nfs/dbraw/zinc/68/37/67/555683767.db2.gz OKPDBTJLFYBXNP-HSZRJFAPSA-N 1 1 467.928 5.468 50 0 JKAAMO CC1=Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccc(Cl)cc21 ZINC000020178876 555684393 /nfs/dbraw/zinc/68/43/93/555684393.db2.gz MEXZJMPUGNKWBQ-CALCHBBNSA-N 1 1 456.055 6.043 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181093 555687934 /nfs/dbraw/zinc/68/79/34/555687934.db2.gz AQYNJQLGLPYHEP-LZSGNZRWSA-N 1 1 498.092 5.304 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181190 555688012 /nfs/dbraw/zinc/68/80/12/555688012.db2.gz MYIWWTPHXVNFKQ-IMQIKVDYSA-N 1 1 481.637 5.076 50 0 JKAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000020181652 555688818 /nfs/dbraw/zinc/68/88/18/555688818.db2.gz KDCUHRUWXNCTEV-QNJFXAKOSA-N 1 1 491.701 5.500 50 0 JKAAMO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020188577 555690556 /nfs/dbraw/zinc/69/05/56/555690556.db2.gz DNCQFRACGKELRW-UHFFFAOYSA-N 1 1 460.577 5.858 50 0 JKAAMO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000020192890 555693734 /nfs/dbraw/zinc/69/37/34/555693734.db2.gz RQEKLATZMOSROY-QFIPXVFZSA-N 1 1 455.649 5.269 50 0 JKAAMO CCc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218775 555712447 /nfs/dbraw/zinc/71/24/47/555712447.db2.gz MMLSGYXAOCHPGO-QHCPKHFHSA-N 1 1 454.039 5.553 50 0 JKAAMO O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000014186215 555727618 /nfs/dbraw/zinc/72/76/18/555727618.db2.gz LVSCYNINSGTEKI-UHFFFAOYSA-N 1 1 465.553 5.020 50 0 JKAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000020347247 555779617 /nfs/dbraw/zinc/77/96/17/555779617.db2.gz KZRMLYWDYQDDBF-UHFFFAOYSA-N 1 1 493.582 5.625 50 0 JKAAMO O=C(c1ccccc1OCCOc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347261 555779694 /nfs/dbraw/zinc/77/96/94/555779694.db2.gz XSUIWIYVNLPOGU-UHFFFAOYSA-N 1 1 492.619 5.692 50 0 JKAAMO Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347248 555779751 /nfs/dbraw/zinc/77/97/51/555779751.db2.gz DRPYSUBYZAMKRK-UHFFFAOYSA-N 1 1 489.619 5.795 50 0 JKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020355265 555783022 /nfs/dbraw/zinc/78/30/22/555783022.db2.gz JWWONESRKYLGCZ-DZIBZFBXSA-N 1 1 463.647 5.178 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)/C(=C\c2ccccc2)S3)CC1 ZINC000020355336 555783031 /nfs/dbraw/zinc/78/30/31/555783031.db2.gz MWAUKPHIWWFUTQ-TURZUDJPSA-N 1 1 497.664 5.453 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000011612288 555789901 /nfs/dbraw/zinc/78/99/01/555789901.db2.gz KZNBPVRNIXGECF-RVKKMQEKSA-N 1 1 494.271 5.658 50 0 JKAAMO c1c(-c2ccccc2)sc2nc(-c3ccccn3)nc(N3CC[NH+](Cc4cccnc4)CC3)c12 ZINC000014305891 555794162 /nfs/dbraw/zinc/79/41/62/555794162.db2.gz YPZLEKSAWJRGHV-UHFFFAOYSA-N 1 1 464.598 5.138 50 0 JKAAMO CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532130 555799922 /nfs/dbraw/zinc/79/99/22/555799922.db2.gz NDLIUKAURBQSAF-KRWDZBQOSA-N 1 1 489.041 5.470 50 0 JKAAMO CCOC(=O)c1c(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)sc2c1CCCC2 ZINC000020532119 555800159 /nfs/dbraw/zinc/80/01/59/555800159.db2.gz BMUSBBAXQRVKBE-LJQANCHMSA-N 1 1 481.662 5.106 50 0 JKAAMO Cc1cc(C)cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020532152 555800441 /nfs/dbraw/zinc/80/04/41/555800441.db2.gz UEGHOKCLJJXPKG-QHCPKHFHSA-N 1 1 464.679 6.443 50 0 JKAAMO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1C ZINC000020532150 555800501 /nfs/dbraw/zinc/80/05/01/555800501.db2.gz JOPWXRBWGPTFKS-QHCPKHFHSA-N 1 1 464.679 6.443 50 0 JKAAMO Cc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532159 555800533 /nfs/dbraw/zinc/80/05/33/555800533.db2.gz ALTJTHKHIUKWOT-JOCHJYFZSA-N 1 1 450.652 6.134 50 0 JKAAMO COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c(OC)c1 ZINC000020532172 555800536 /nfs/dbraw/zinc/80/05/36/555800536.db2.gz HPTWROSYXOLXPS-JOCHJYFZSA-N 1 1 496.677 5.843 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532197 555800863 /nfs/dbraw/zinc/80/08/63/555800863.db2.gz BSALCXISIGFOLA-HSZRJFAPSA-N 1 1 464.679 6.524 50 0 JKAAMO CC(C)CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532180 555800881 /nfs/dbraw/zinc/80/08/81/555800881.db2.gz FSXBQUVZGIXUSM-IPGZOCRXSA-N 1 1 494.749 6.272 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCc2ccccc2)C1 ZINC000020532201 555800946 /nfs/dbraw/zinc/80/09/46/555800946.db2.gz AKIKVGYDLJAEFX-HSZRJFAPSA-N 1 1 464.679 5.894 50 0 JKAAMO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)C[N@H+]3CCCc3ccccc3)ccc2s1 ZINC000011787200 555820962 /nfs/dbraw/zinc/82/09/62/555820962.db2.gz SMOSRRJDKIHZIV-VWNXMTODSA-N 1 1 488.682 5.806 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)ccc2c1NC(=O)c1ccccc1 ZINC000011790526 555826626 /nfs/dbraw/zinc/82/66/26/555826626.db2.gz LTGFTJPLPKTBER-JOCHJYFZSA-N 1 1 486.597 5.457 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)ccc2c1NC(=O)c1ccccc1 ZINC000011790526 555826627 /nfs/dbraw/zinc/82/66/27/555826627.db2.gz LTGFTJPLPKTBER-JOCHJYFZSA-N 1 1 486.597 5.457 50 0 JKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014998504 555842975 /nfs/dbraw/zinc/84/29/75/555842975.db2.gz SEDYNSJSNYAPMV-OZXSUGGESA-N 1 1 470.642 5.490 50 0 JKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000015000192 555844707 /nfs/dbraw/zinc/84/47/07/555844707.db2.gz XRDOSFGEPXNPBQ-UHFFFAOYSA-N 1 1 460.599 5.810 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904302 555848865 /nfs/dbraw/zinc/84/88/65/555848865.db2.gz GWEMFKTUERXUNW-QGUKFAFCSA-N 1 1 481.706 5.456 50 0 JKAAMO Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nn21 ZINC000022033926 555864834 /nfs/dbraw/zinc/86/48/34/555864834.db2.gz HWZACLOCFBFDGG-UHFFFAOYSA-N 1 1 487.607 5.252 50 0 JKAAMO CCN(CC)CC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c2)cc1C ZINC000022033675 555864871 /nfs/dbraw/zinc/86/48/71/555864871.db2.gz HLVZDZNMDTWJTG-UHFFFAOYSA-N 1 1 480.697 5.072 50 0 JKAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000022063579 555868277 /nfs/dbraw/zinc/86/82/77/555868277.db2.gz OSVSVJYTMBBQJY-GAJHUEQPSA-N 1 1 458.674 5.026 50 0 JKAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000022063579 555868282 /nfs/dbraw/zinc/86/82/82/555868282.db2.gz OSVSVJYTMBBQJY-GAJHUEQPSA-N 1 1 458.674 5.026 50 0 JKAAMO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC000011975496 555875559 /nfs/dbraw/zinc/87/55/59/555875559.db2.gz ZLELPOASXZWUAJ-RPWUZVMVSA-N 1 1 486.559 5.199 50 0 JKAAMO C[N@@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999370 555882210 /nfs/dbraw/zinc/88/22/10/555882210.db2.gz XMSBBYJAUMXDQB-XMMPIXPASA-N 1 1 468.597 5.996 50 0 JKAAMO c1cnc(Oc2ccc(C[N@@H+]3CCOc4ccc(C5=Cc6ccccc6CC5)cc4C3)cc2)nc1 ZINC000012040637 555893206 /nfs/dbraw/zinc/89/32/06/555893206.db2.gz OEBFLRRGJBQUSU-UHFFFAOYSA-N 1 1 461.565 6.150 50 0 JKAAMO c1cnc(Oc2ccc(C[N@H+]3CCOc4ccc(C5=Cc6ccccc6CC5)cc4C3)cc2)nc1 ZINC000012040637 555893208 /nfs/dbraw/zinc/89/32/08/555893208.db2.gz OEBFLRRGJBQUSU-UHFFFAOYSA-N 1 1 461.565 6.150 50 0 JKAAMO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000012050787 555896162 /nfs/dbraw/zinc/89/61/62/555896162.db2.gz WEVPGKHTEHJNCK-HSZRJFAPSA-N 1 1 454.586 5.622 50 0 JKAAMO CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC000012054209 555897604 /nfs/dbraw/zinc/89/76/04/555897604.db2.gz GHJIAJAYCWQXDV-IZLXSDGUSA-N 1 1 494.557 5.066 50 0 JKAAMO COc1ccc(CCN(C(=O)c2cc(Cl)cc(Cl)c2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000015659086 555922444 /nfs/dbraw/zinc/92/24/44/555922444.db2.gz HKTDLPMNCCBFCN-RTWAWAEBSA-N 1 1 475.416 5.446 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000012158908 555929657 /nfs/dbraw/zinc/92/96/57/555929657.db2.gz LEDBOLWAOKFVDL-XMMPIXPASA-N 1 1 483.077 6.497 50 0 JKAAMO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC000012182295 555935385 /nfs/dbraw/zinc/93/53/85/555935385.db2.gz SAKGODNYPHILFS-RPWUZVMVSA-N 1 1 486.559 5.199 50 0 JKAAMO CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000012359448 555956884 /nfs/dbraw/zinc/95/68/84/555956884.db2.gz MXFYYFVVIIWKFE-UHFFFAOYSA-N 1 1 466.646 8.701 50 0 JKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000012376169 555963462 /nfs/dbraw/zinc/96/34/62/555963462.db2.gz KMYPEBMEKUQHKI-NFQMXDRXSA-N 1 1 490.028 5.066 50 0 JKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000012376169 555963466 /nfs/dbraw/zinc/96/34/66/555963466.db2.gz KMYPEBMEKUQHKI-NFQMXDRXSA-N 1 1 490.028 5.066 50 0 JKAAMO CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000012382366 555971603 /nfs/dbraw/zinc/97/16/03/555971603.db2.gz GMAHQOVPBBEJHR-UHFFFAOYSA-N 1 1 461.581 5.435 50 0 JKAAMO CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022917874 555971996 /nfs/dbraw/zinc/97/19/96/555971996.db2.gz UEMSMUFEXGLCGM-XMMPIXPASA-N 1 1 465.688 5.676 50 0 JKAAMO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022938222 555991347 /nfs/dbraw/zinc/99/13/47/555991347.db2.gz BGRKMZRUQQDIDK-XMMPIXPASA-N 1 1 461.587 5.092 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000022938261 555991357 /nfs/dbraw/zinc/99/13/57/555991357.db2.gz OHTVXWJOOSJGCK-MHZLTWQESA-N 1 1 469.585 5.421 50 0 JKAAMO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022938257 555991457 /nfs/dbraw/zinc/99/14/57/555991457.db2.gz NTXCOCRBLOLLQB-AREMUKBSSA-N 1 1 455.558 5.031 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(C)cc2)CC1 ZINC000022938250 555991466 /nfs/dbraw/zinc/99/14/66/555991466.db2.gz WGMXPGZVVDZXST-RUZDIDTESA-N 1 1 459.615 5.782 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2OC)CC1 ZINC000022938217 555991487 /nfs/dbraw/zinc/99/14/87/555991487.db2.gz XJTQKSNLBMJIOL-RUZDIDTESA-N 1 1 459.546 5.014 50 0 JKAAMO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938319 555991848 /nfs/dbraw/zinc/99/18/48/555991848.db2.gz JCOYVTFARWCJHG-MHZLTWQESA-N 1 1 469.585 5.339 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000022997128 555996674 /nfs/dbraw/zinc/99/66/74/555996674.db2.gz ZEUUJRFQLVULCM-UHFFFAOYSA-N 1 1 465.619 6.112 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000023109505 556010319 /nfs/dbraw/zinc/01/03/19/556010319.db2.gz FJMFZNQNPPTLBL-UHFFFAOYSA-N 1 1 473.623 6.790 50 0 JKAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc4ncccc24)CC3)c1 ZINC000023128416 556017622 /nfs/dbraw/zinc/01/76/22/556017622.db2.gz SVAKAHIUZMOVOD-MHZLTWQESA-N 1 1 496.659 5.019 50 0 JKAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc4ncccc24)CC3)c1 ZINC000023128415 556017716 /nfs/dbraw/zinc/01/77/16/556017716.db2.gz SVAKAHIUZMOVOD-HHHXNRCGSA-N 1 1 496.659 5.019 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182445 556028717 /nfs/dbraw/zinc/02/87/17/556028717.db2.gz GLFYGBMFPPBWIT-SBUREZEXSA-N 1 1 472.630 5.265 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000023182422 556028763 /nfs/dbraw/zinc/02/87/63/556028763.db2.gz DBKTWQBLMJHZQA-NBGIEHNGSA-N 1 1 482.694 5.742 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182406 556028774 /nfs/dbraw/zinc/02/87/74/556028774.db2.gz FWTFCZVDZKIDBR-YADARESESA-N 1 1 468.667 5.434 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182457 556028792 /nfs/dbraw/zinc/02/87/92/556028792.db2.gz JUPBSRPLIQMFOF-HXOBKFHXSA-N 1 1 472.630 5.265 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182534 556029107 /nfs/dbraw/zinc/02/91/07/556029107.db2.gz KRQZGHJZOROACS-HXOBKFHXSA-N 1 1 472.630 5.265 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Br)cc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859341 556029440 /nfs/dbraw/zinc/02/94/40/556029440.db2.gz YGOUBXDQHIPAJP-HSZRJFAPSA-N 1 1 479.374 6.616 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000015859767 556031092 /nfs/dbraw/zinc/03/10/92/556031092.db2.gz KDYDEPYALPJKHU-VWLOTQADSA-N 1 1 453.571 6.090 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)c(OC)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864870 556040905 /nfs/dbraw/zinc/04/09/05/556040905.db2.gz YBMXGJFTUABKBS-MHZLTWQESA-N 1 1 488.653 6.747 50 0 JKAAMO FC(F)(F)c1cccc([C@@H](OCC[NH+]2CCN(Cc3ccc(Cl)o3)CC2)c2ccccc2)c1 ZINC000023331727 556042713 /nfs/dbraw/zinc/04/27/13/556042713.db2.gz CUERRSOJUMUYAV-DEOSSOPVSA-N 1 1 478.942 5.876 50 0 JKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334488 556044058 /nfs/dbraw/zinc/04/40/58/556044058.db2.gz NLKJGPJOCURPKM-KRWDZBQOSA-N 1 1 473.448 6.291 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335168 556044536 /nfs/dbraw/zinc/04/45/36/556044536.db2.gz VSIATDXMTAYWDI-GOSISDBHSA-N 1 1 470.539 5.757 50 0 JKAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335168 556044542 /nfs/dbraw/zinc/04/45/42/556044542.db2.gz VSIATDXMTAYWDI-GOSISDBHSA-N 1 1 470.539 5.757 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335168 556044548 /nfs/dbraw/zinc/04/45/48/556044548.db2.gz VSIATDXMTAYWDI-GOSISDBHSA-N 1 1 470.539 5.757 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450909 556065289 /nfs/dbraw/zinc/06/52/89/556065289.db2.gz GWPFDZHIVKEZRZ-OAQYLSRUSA-N 1 1 452.602 5.891 50 0 JKAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450909 556065294 /nfs/dbraw/zinc/06/52/94/556065294.db2.gz GWPFDZHIVKEZRZ-OAQYLSRUSA-N 1 1 452.602 5.891 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450909 556065296 /nfs/dbraw/zinc/06/52/96/556065296.db2.gz GWPFDZHIVKEZRZ-OAQYLSRUSA-N 1 1 452.602 5.891 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc12)CC1CC1 ZINC000023458841 556070674 /nfs/dbraw/zinc/07/06/74/556070674.db2.gz MAFTUUHLKGXENP-UHFFFAOYSA-N 1 1 465.641 6.603 50 0 JKAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000012570798 556073206 /nfs/dbraw/zinc/07/32/06/556073206.db2.gz CIVPDXIEMOXDMJ-RUZDIDTESA-N 1 1 477.048 5.946 50 0 JKAAMO O=C(c1ccccc1)[C@@H](CCCC[C@H](C(=O)c1ccccc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000023634458 556080683 /nfs/dbraw/zinc/08/06/83/556080683.db2.gz DZJVYYUUZFCXQS-VSGBNLITSA-N 1 1 460.662 6.022 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2 ZINC000015946756 556083717 /nfs/dbraw/zinc/08/37/17/556083717.db2.gz KMRBFSDHQVHERV-UHFFFAOYSA-N 1 1 453.652 5.646 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C)C3)cc1 ZINC000015946849 556084009 /nfs/dbraw/zinc/08/40/09/556084009.db2.gz ZLYZFZWAWPZMOA-ZWKOTPCHSA-N 1 1 469.651 5.337 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C)C3)cc1 ZINC000015946849 556084011 /nfs/dbraw/zinc/08/40/11/556084011.db2.gz ZLYZFZWAWPZMOA-ZWKOTPCHSA-N 1 1 469.651 5.337 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C)C3)cc1 ZINC000015946848 556084018 /nfs/dbraw/zinc/08/40/18/556084018.db2.gz ZLYZFZWAWPZMOA-ROUUACIJSA-N 1 1 469.651 5.337 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C)C3)cc1 ZINC000015946848 556084020 /nfs/dbraw/zinc/08/40/20/556084020.db2.gz ZLYZFZWAWPZMOA-ROUUACIJSA-N 1 1 469.651 5.337 50 0 JKAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CCCC2 ZINC000015946859 556084058 /nfs/dbraw/zinc/08/40/58/556084058.db2.gz SXNOCCFQWUKUDY-OAHLLOKOSA-N 1 1 476.042 5.354 50 0 JKAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc2c1CCCC2 ZINC000015946859 556084059 /nfs/dbraw/zinc/08/40/59/556084059.db2.gz SXNOCCFQWUKUDY-OAHLLOKOSA-N 1 1 476.042 5.354 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCCC3)sc3c2CCCCC3)cc1 ZINC000015946962 556084432 /nfs/dbraw/zinc/08/44/32/556084432.db2.gz GBZFHOKDBCJQJZ-UHFFFAOYSA-N 1 1 469.651 5.483 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1cccs1 ZINC000015947168 556084731 /nfs/dbraw/zinc/08/47/31/556084731.db2.gz BWHKWWNPGCSAEM-OAQYLSRUSA-N 1 1 483.615 5.234 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OCc1ccccc1 ZINC000015947291 556085123 /nfs/dbraw/zinc/08/51/23/556085123.db2.gz DKYNPNXHSUEAQS-XMMPIXPASA-N 1 1 463.603 5.533 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947293 556085178 /nfs/dbraw/zinc/08/51/78/556085178.db2.gz NHBMDTCNQJCHEH-QFIPXVFZSA-N 1 1 498.446 5.897 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OCc1ccccc1 ZINC000015947289 556085275 /nfs/dbraw/zinc/08/52/75/556085275.db2.gz DKYNPNXHSUEAQS-DEOSSOPVSA-N 1 1 463.603 5.533 50 0 JKAAMO C[C@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000023845248 556091222 /nfs/dbraw/zinc/09/12/22/556091222.db2.gz QQFHSXWJKHDHSK-OAHLLOKOSA-N 1 1 467.536 5.273 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012614682 556091385 /nfs/dbraw/zinc/09/13/85/556091385.db2.gz UKENGNMTXGKIDG-JFGKPDLASA-N 1 1 460.980 6.163 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000012660125 556100772 /nfs/dbraw/zinc/10/07/72/556100772.db2.gz XVPULKCGCVRRPV-XZOQPEGZSA-N 1 1 465.634 5.598 50 0 biogenic JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000016041296 556121442 /nfs/dbraw/zinc/12/14/42/556121442.db2.gz NHOWDDFUHDJVCH-RPVQJOFSSA-N 1 1 498.676 5.156 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000016041264 556121462 /nfs/dbraw/zinc/12/14/62/556121462.db2.gz OXYYGWFHYWELQU-QILLFSRXSA-N 1 1 454.225 5.047 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000016041294 556121512 /nfs/dbraw/zinc/12/15/12/556121512.db2.gz NHOWDDFUHDJVCH-QANKJYHBSA-N 1 1 498.676 5.156 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000016041300 556121576 /nfs/dbraw/zinc/12/15/76/556121576.db2.gz DWGJOEKNMCQDLE-QILLFSRXSA-N 1 1 454.225 5.047 50 0 JKAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012883706 556124027 /nfs/dbraw/zinc/12/40/27/556124027.db2.gz DIZRVTJKTGQHJC-FDQHHTESSA-N 1 1 479.617 5.613 50 0 biogenic JKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)n1 ZINC000024528563 556134875 /nfs/dbraw/zinc/13/48/75/556134875.db2.gz IEVHXMCECKUFPY-QHCPKHFHSA-N 1 1 494.665 5.102 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](C)c3nnc4n3CCCCC4)c2c1C ZINC000012926761 556144900 /nfs/dbraw/zinc/14/49/00/556144900.db2.gz PNXZMDBIOYHXDV-KRWDZBQOSA-N 1 1 453.660 5.031 50 0 JKAAMO Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000016843360 556165682 /nfs/dbraw/zinc/16/56/82/556165682.db2.gz PYCKIVIEIBFXQA-UHFFFAOYSA-N 1 1 459.615 5.185 50 0 JKAAMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC ZINC000025036508 556172894 /nfs/dbraw/zinc/17/28/94/556172894.db2.gz UEEVNYSELLYVRH-AWEZNQCLSA-N 1 1 459.999 5.174 50 0 JKAAMO O=C(Cc1nc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)cs1)NCc1ccccc1 ZINC000012980205 556173325 /nfs/dbraw/zinc/17/33/25/556173325.db2.gz KIQPORANLHKKOQ-UHFFFAOYSA-N 1 1 451.611 5.476 50 0 JKAAMO O=C(Cc1nc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)cs1)NCc1ccccc1 ZINC000012980205 556173327 /nfs/dbraw/zinc/17/33/27/556173327.db2.gz KIQPORANLHKKOQ-UHFFFAOYSA-N 1 1 451.611 5.476 50 0 JKAAMO O=S(=O)(c1cccc2ccccc21)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000025153580 556194295 /nfs/dbraw/zinc/19/42/95/556194295.db2.gz CWBMHRMCGONFBI-UHFFFAOYSA-N 1 1 468.622 5.034 50 0 JKAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3NC(=O)Cc3cccc4ccccc43)sc2C1 ZINC000013016434 556208316 /nfs/dbraw/zinc/20/83/16/556208316.db2.gz ZUEMSQFKSAHGFJ-UHFFFAOYSA-N 1 1 470.598 5.108 50 0 JKAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3NC(=O)Cc3cccc4ccccc43)sc2C1 ZINC000013016434 556208319 /nfs/dbraw/zinc/20/83/19/556208319.db2.gz ZUEMSQFKSAHGFJ-UHFFFAOYSA-N 1 1 470.598 5.108 50 0 JKAAMO O=C(c1ncc(Cl)c(Cl)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025500168 556217974 /nfs/dbraw/zinc/21/79/74/556217974.db2.gz CPHCKHHJVQJARX-UHFFFAOYSA-N 1 1 460.792 5.589 50 0 JKAAMO COC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000017113396 556218396 /nfs/dbraw/zinc/21/83/96/556218396.db2.gz NDSUTPIOOPBLTQ-UHFFFAOYSA-N 1 1 491.638 5.830 50 0 JKAAMO O=S(=O)(NC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000025515054 556218706 /nfs/dbraw/zinc/21/87/06/556218706.db2.gz ZHHZLSBYDRGLCT-AREMUKBSSA-N 1 1 477.029 5.739 50 0 JKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000025575488 556222501 /nfs/dbraw/zinc/22/25/01/556222501.db2.gz NJYCIRZRZFXRHS-PKTZIBPZSA-N 1 1 481.770 6.451 50 0 JKAAMO Cc1cc(=O)oc2cc(Oc3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)ccc12 ZINC000013031657 556228535 /nfs/dbraw/zinc/22/85/35/556228535.db2.gz STOUHQYRXATXRM-UHFFFAOYSA-N 1 1 461.587 5.619 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000013031825 556229329 /nfs/dbraw/zinc/22/93/29/556229329.db2.gz HMXDDKLZZZXVEF-GDLZYMKVSA-N 1 1 489.637 6.451 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000013031825 556229333 /nfs/dbraw/zinc/22/93/33/556229333.db2.gz HMXDDKLZZZXVEF-GDLZYMKVSA-N 1 1 489.637 6.451 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000013031832 556229350 /nfs/dbraw/zinc/22/93/50/556229350.db2.gz BVJGPTDDQYYWMV-AREMUKBSSA-N 1 1 461.583 5.636 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000013031832 556229353 /nfs/dbraw/zinc/22/93/53/556229353.db2.gz BVJGPTDDQYYWMV-AREMUKBSSA-N 1 1 461.583 5.636 50 0 JKAAMO Brc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000017161013 556229761 /nfs/dbraw/zinc/22/97/61/556229761.db2.gz HFCWVXWVLFCWKC-XZOQPEGZSA-N 1 1 457.331 5.253 50 0 JKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Br)c2)c1 ZINC000025784024 556235624 /nfs/dbraw/zinc/23/56/24/556235624.db2.gz JMSFZLIYMHEQKG-ZEQRLZLVSA-N 1 1 487.357 5.262 50 0 JKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783906 556235658 /nfs/dbraw/zinc/23/56/58/556235658.db2.gz NNPCGABVDIDHAE-RPWUZVMVSA-N 1 1 458.974 5.866 50 0 JKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)c1 ZINC000025783997 556235708 /nfs/dbraw/zinc/23/57/08/556235708.db2.gz NUOVBOQYXRKQLB-ZEQRLZLVSA-N 1 1 487.357 5.262 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288768 556251334 /nfs/dbraw/zinc/25/13/34/556251334.db2.gz ZDTSSZATUQCHJJ-UHFFFAOYSA-N 1 1 479.696 6.524 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288768 556251339 /nfs/dbraw/zinc/25/13/39/556251339.db2.gz ZDTSSZATUQCHJJ-UHFFFAOYSA-N 1 1 479.696 6.524 50 0 JKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000013096846 556292069 /nfs/dbraw/zinc/29/20/69/556292069.db2.gz JBENXXOBFSBGFG-HSZRJFAPSA-N 1 1 474.432 5.398 50 0 JKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccccc1C(F)(F)F ZINC000018173214 556298101 /nfs/dbraw/zinc/29/81/01/556298101.db2.gz OSGOFVVAQHMQEZ-UHFFFAOYSA-N 1 1 457.492 6.078 50 0 JKAAMO COc1ccccc1[C@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl)[NH+](C)C ZINC000013108239 556305196 /nfs/dbraw/zinc/30/51/96/556305196.db2.gz BULDTGZPGKDGAL-IBGZPJMESA-N 1 1 495.838 5.241 50 0 JKAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4)o3)CC2)s1 ZINC000027903703 556309470 /nfs/dbraw/zinc/30/94/70/556309470.db2.gz PGSKFAPPKJFGDV-UHFFFAOYSA-N 1 1 450.995 5.436 50 0 JKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccncc3)O2)[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]1 ZINC000013122501 556338877 /nfs/dbraw/zinc/33/88/77/556338877.db2.gz JXUBIVPIZLNBAS-FGZHOGPDSA-N 1 1 492.764 5.302 50 0 aggregator JKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019770618 556368051 /nfs/dbraw/zinc/36/80/51/556368051.db2.gz ZKYOLXTWDQZHCY-HHHXNRCGSA-N 1 1 475.636 5.563 50 0 JKAAMO COc1cc2c(cc1C[N@@H+](CCc1ccccc1)Cc1ccccc1)oc(C)c2-c1ccccc1 ZINC000019771254 556368387 /nfs/dbraw/zinc/36/83/87/556368387.db2.gz PPYJMEOADMBNQP-UHFFFAOYSA-N 1 1 461.605 7.662 50 0 JKAAMO Cc1ccc2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c2c1C ZINC000019793703 556373008 /nfs/dbraw/zinc/37/30/08/556373008.db2.gz MKGYRIITFVPHRU-UHFFFAOYSA-N 1 1 451.614 5.361 50 0 JKAAMO Clc1ccc2c(c1)[C@H](N1CC[NH+](CCOc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019802430 556378758 /nfs/dbraw/zinc/37/87/58/556378758.db2.gz IPNMMSBKYYISMR-XMMPIXPASA-N 1 1 451.035 5.785 50 0 JKAAMO Clc1ccc2c(c1)[C@H]([NH+]1CCN(CCOc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019802430 556378760 /nfs/dbraw/zinc/37/87/60/556378760.db2.gz IPNMMSBKYYISMR-XMMPIXPASA-N 1 1 451.035 5.785 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1 ZINC000019808138 556379885 /nfs/dbraw/zinc/37/98/85/556379885.db2.gz SFXLZNCXAGNNJF-AHKZPQOWSA-N 1 1 481.036 5.378 50 0 JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019829441 556397379 /nfs/dbraw/zinc/39/73/79/556397379.db2.gz VRMNMGFGAGTQJW-UHFFFAOYSA-N 1 1 459.637 6.592 50 0 JKAAMO C[C@H](CC(=O)N[C@@H](C)c1ccccc1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019831358 556398557 /nfs/dbraw/zinc/39/85/57/556398557.db2.gz PACWPPZKIUYVHD-RPBOFIJWSA-N 1 1 483.656 5.214 50 0 JKAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622669 556452389 /nfs/dbraw/zinc/45/23/89/556452389.db2.gz USWJIOGXCFNOAN-FQEVSTJZSA-N 1 1 474.786 5.324 50 0 JKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)cc2)CC1 ZINC000032921824 556541392 /nfs/dbraw/zinc/54/13/92/556541392.db2.gz JSCWXAUTQVOFCW-UHFFFAOYSA-N 1 1 466.676 5.134 50 0 JKAAMO COc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000008583033 562940010 /nfs/dbraw/zinc/94/00/10/562940010.db2.gz JZYZOMGZTDUGLA-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 aggregator JKAAMO CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590209 562942590 /nfs/dbraw/zinc/94/25/90/562942590.db2.gz BSTLHZQINILQCA-QGZVFWFLSA-N 1 1 459.015 5.462 50 0 JKAAMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000049590110 563203038 /nfs/dbraw/zinc/20/30/38/563203038.db2.gz OYGDOCFZQVGFIP-HHHXNRCGSA-N 1 1 450.504 5.920 50 0 in-man JKAAMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000049590110 563203039 /nfs/dbraw/zinc/20/30/39/563203039.db2.gz OYGDOCFZQVGFIP-HHHXNRCGSA-N 1 1 450.504 5.920 50 0 in-man JKAAMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000049590112 563203046 /nfs/dbraw/zinc/20/30/46/563203046.db2.gz OYGDOCFZQVGFIP-MHZLTWQESA-N 1 1 450.504 5.920 50 0 in-man JKAAMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000049590112 563203047 /nfs/dbraw/zinc/20/30/47/563203047.db2.gz OYGDOCFZQVGFIP-MHZLTWQESA-N 1 1 450.504 5.920 50 0 in-man JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054105777 569589290 /nfs/dbraw/zinc/58/92/90/569589290.db2.gz JKTLYEFDYONJBZ-NDEPHWFRSA-N 1 1 499.655 6.668 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2cccnc2)CC1 ZINC000054105781 569589323 /nfs/dbraw/zinc/58/93/23/569589323.db2.gz SQXATYBUFOLKEP-DEOSSOPVSA-N 1 1 477.630 5.377 50 0 JKAAMO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054274603 569589590 /nfs/dbraw/zinc/58/95/90/569589590.db2.gz IVEOYDSMWFCVJL-UHFFFAOYSA-N 1 1 474.052 5.978 50 0 JKAAMO Cc1nn2c(nc3c(c2N2CC[NH+](Cc4ccc(Cl)cc4)CC2)CCCC3)c1-c1ccccc1 ZINC000054284505 569589671 /nfs/dbraw/zinc/58/96/71/569589671.db2.gz GCBVQZSVDQAWFT-UHFFFAOYSA-N 1 1 472.036 5.559 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1cc(C)ccc1C ZINC000055131817 569590861 /nfs/dbraw/zinc/59/08/61/569590861.db2.gz MDYGORPHCGUHPR-UHFFFAOYSA-N 1 1 473.598 5.584 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1ccccc1 ZINC000055283478 569591408 /nfs/dbraw/zinc/59/14/08/569591408.db2.gz KHXITVDDOYJKHA-OAHLLOKOSA-N 1 1 465.600 5.590 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000055529208 569592066 /nfs/dbraw/zinc/59/20/66/569592066.db2.gz BXWHMKXRSWQOLE-UHFFFAOYSA-N 1 1 496.054 6.433 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc2ccccc21 ZINC000055529195 569592128 /nfs/dbraw/zinc/59/21/28/569592128.db2.gz KEWSWQFDZVBVKQ-UHFFFAOYSA-N 1 1 455.989 6.068 50 0 JKAAMO Cc1ccsc1C[N@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000055569044 569592298 /nfs/dbraw/zinc/59/22/98/569592298.db2.gz NQGFBCCQLGEGJF-PKTZIBPZSA-N 1 1 472.626 5.429 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000057293283 569595925 /nfs/dbraw/zinc/59/59/25/569595925.db2.gz CDCWDDKAQQFUIO-HHHXNRCGSA-N 1 1 485.609 5.635 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983889 569607205 /nfs/dbraw/zinc/60/72/05/569607205.db2.gz MGBBEJYCTGSTAN-HLILLCKBSA-N 1 1 467.997 5.096 50 0 JKAAMO Cc1cccc(-c2ccc(Nc3cccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)c3)nn2)c1 ZINC000032996940 569610844 /nfs/dbraw/zinc/61/08/44/569610844.db2.gz ANSKGKWUBKAJTL-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1oc2ccccc2c1CSc1ncccn1 ZINC000062566652 569611175 /nfs/dbraw/zinc/61/11/75/569611175.db2.gz LNJAVDZJIUHLTK-JOCHJYFZSA-N 1 1 493.032 5.735 50 0 JKAAMO COc1ccc(-n2c([C@H](C)[NH+]3CCCCC3)nn(CN3CCC[C@H](C(F)(F)F)C3)c2=S)cc1 ZINC000062591899 569612433 /nfs/dbraw/zinc/61/24/33/569612433.db2.gz FDQSSOVAESQTPK-ROUUACIJSA-N 1 1 483.604 5.191 50 0 JKAAMO Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)n2)cc1 ZINC000032999069 569613399 /nfs/dbraw/zinc/61/33/99/569613399.db2.gz OSTVTPYKNZIGMV-UHFFFAOYSA-N 1 1 490.673 5.077 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000063666794 569615873 /nfs/dbraw/zinc/61/58/73/569615873.db2.gz PUXMOZDMXYMRQY-UHFFFAOYSA-N 1 1 482.068 5.895 50 0 JKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)c3)ncn2)c1 ZINC000033010467 569616806 /nfs/dbraw/zinc/61/68/06/569616806.db2.gz UQECSVXOTDPOPE-MHZLTWQESA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)c3)ncn2)c1 ZINC000033010467 569616808 /nfs/dbraw/zinc/61/68/08/569616808.db2.gz UQECSVXOTDPOPE-MHZLTWQESA-N 1 1 463.585 5.325 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1)Cc1ccccc1 ZINC000033010477 569616872 /nfs/dbraw/zinc/61/68/72/569616872.db2.gz SISPZKLNTNEWBW-UHFFFAOYSA-N 1 1 465.601 5.448 50 0 JKAAMO 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COc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC4CCCC4)s3)CC2)c1 ZINC000064746750 569625728 /nfs/dbraw/zinc/62/57/28/569625728.db2.gz MREGOJGBJGSMGA-UHFFFAOYSA-N 1 1 488.661 5.143 50 0 JKAAMO Cc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5cccc(C)c5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746806 569625849 /nfs/dbraw/zinc/62/58/49/569625849.db2.gz NHMUKBSVZLFVJL-UHFFFAOYSA-N 1 1 474.678 5.607 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c(OC)c1 ZINC000064790079 569628595 /nfs/dbraw/zinc/62/85/95/569628595.db2.gz SMFRRLIMAXNJJH-HSZRJFAPSA-N 1 1 463.559 5.824 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801101 569631388 /nfs/dbraw/zinc/63/13/88/569631388.db2.gz LDPHJMCYQCPWDY-UHFFFAOYSA-N 1 1 465.557 5.285 50 0 JKAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)cc(C)[nH+]1 ZINC000064801747 569631546 /nfs/dbraw/zinc/63/15/46/569631546.db2.gz KPQIIHVMZURDBM-UHFFFAOYSA-N 1 1 459.575 5.013 50 0 JKAAMO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c1 ZINC000064802010 569631660 /nfs/dbraw/zinc/63/16/60/569631660.db2.gz DOQWYNHAIUZWJF-UHFFFAOYSA-N 1 1 451.596 5.382 50 0 JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033774127 569634263 /nfs/dbraw/zinc/63/42/63/569634263.db2.gz IKEPIUNMNPFVMF-RDGATRHJSA-N 1 1 469.610 5.485 50 0 JKAAMO COc1ccccc1OCC[N@H+](Cc1ccccc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000034250789 569639847 /nfs/dbraw/zinc/63/98/47/569639847.db2.gz FFZGDNBZNMTOCK-DEOSSOPVSA-N 1 1 496.607 5.651 50 0 in-vitro JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667446 569640466 /nfs/dbraw/zinc/64/04/66/569640466.db2.gz ZEUYIIIRULQHNS-LOYHVIPDSA-N 1 1 488.647 6.293 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCCC(C)C ZINC000034667446 569640467 /nfs/dbraw/zinc/64/04/67/569640467.db2.gz ZEUYIIIRULQHNS-LOYHVIPDSA-N 1 1 488.647 6.293 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669608 569640684 /nfs/dbraw/zinc/64/06/84/569640684.db2.gz YNHMAMILAZCHDB-RDGATRHJSA-N 1 1 470.510 6.114 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671579 569640741 /nfs/dbraw/zinc/64/07/41/569640741.db2.gz POXGBABHUZQVAD-JSOSNVBQSA-N 1 1 491.635 5.703 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034669760 569640798 /nfs/dbraw/zinc/64/07/98/569640798.db2.gz DUUKCQMWHIVBKA-OFVILXPXSA-N 1 1 488.500 6.253 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671584 569640819 /nfs/dbraw/zinc/64/08/19/569640819.db2.gz POXGBABHUZQVAD-IOWSJCHKSA-N 1 1 491.635 5.703 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669890 569640837 /nfs/dbraw/zinc/64/08/37/569640837.db2.gz QLGTWQMVYIQEOU-LBNVMWSVSA-N 1 1 458.602 5.016 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671801 569640909 /nfs/dbraw/zinc/64/09/09/569640909.db2.gz DREKGJYPYNMQQH-ZOYWYXQUSA-N 1 1 490.647 6.226 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671792 569640929 /nfs/dbraw/zinc/64/09/29/569640929.db2.gz PETXHXVPZODTIH-IADCTJSHSA-N 1 1 456.630 5.682 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671795 569640950 /nfs/dbraw/zinc/64/09/50/569640950.db2.gz PETXHXVPZODTIH-MUAVYFROSA-N 1 1 456.630 5.682 50 0 JKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2)cc1 ZINC000034681634 569643303 /nfs/dbraw/zinc/64/33/03/569643303.db2.gz HTMWFRNQYMNVBF-UHFFFAOYSA-N 1 1 460.597 5.483 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681775 569643437 /nfs/dbraw/zinc/64/34/37/569643437.db2.gz KDCZBBWDVBGREY-UHFFFAOYSA-N 1 1 472.486 5.204 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681899 569643440 /nfs/dbraw/zinc/64/34/40/569643440.db2.gz DODSZEVSYKRMKV-UHFFFAOYSA-N 1 1 490.476 5.343 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681942 569643770 /nfs/dbraw/zinc/64/37/70/569643770.db2.gz WPJZKNYUQOMSDU-UHFFFAOYSA-N 1 1 488.941 5.718 50 0 JKAAMO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683410 569644267 /nfs/dbraw/zinc/64/42/67/569644267.db2.gz HOEKDXNENXHPHM-UHFFFAOYSA-N 1 1 454.611 5.073 50 0 JKAAMO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683479 569644328 /nfs/dbraw/zinc/64/43/28/569644328.db2.gz NWDFWWJPDGAJPK-UHFFFAOYSA-N 1 1 490.600 5.032 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683326 569644351 /nfs/dbraw/zinc/64/43/51/569644351.db2.gz JQKQBWAIWURQCR-UHFFFAOYSA-N 1 1 492.591 5.471 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683572 569644509 /nfs/dbraw/zinc/64/45/09/569644509.db2.gz UWNXHTLQGQREGU-UHFFFAOYSA-N 1 1 496.554 5.302 50 0 JKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683713 569644513 /nfs/dbraw/zinc/64/45/13/569644513.db2.gz OIVYBMWYMYFYSB-UHFFFAOYSA-N 1 1 473.013 5.647 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683501 569644527 /nfs/dbraw/zinc/64/45/27/569644527.db2.gz CALGEOSHPGNSAB-UHFFFAOYSA-N 1 1 496.554 5.302 50 0 JKAAMO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1OC ZINC000034683791 569644590 /nfs/dbraw/zinc/64/45/90/569644590.db2.gz DYPAQRCCKHIBRJ-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034683725 569644616 /nfs/dbraw/zinc/64/46/16/569644616.db2.gz GQIIMZKDEDAJLA-UHFFFAOYSA-N 1 1 473.013 5.647 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccsc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F 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/nfs/dbraw/zinc/66/36/76/569663676.db2.gz AEDVPEYTTPAATJ-DWACAAAGSA-N 1 1 481.706 5.115 50 0 JKAAMO CCCCCCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830433 569663920 /nfs/dbraw/zinc/66/39/20/569663920.db2.gz GJSCURGNMIPHTM-FIPFOOKPSA-N 1 1 495.733 5.424 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831685 569664263 /nfs/dbraw/zinc/66/42/63/569664263.db2.gz QICHYVPPLSKJJK-OAQYLSRUSA-N 1 1 453.590 5.058 50 0 JKAAMO CCN1CCN(c2c(C[N@@H+](Cc3cccc(C)c3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836374 569665261 /nfs/dbraw/zinc/66/52/61/569665261.db2.gz GMEIFOFUSMVAOP-UHFFFAOYSA-N 1 1 477.672 5.428 50 0 JKAAMO CCN1CCN(c2c(C[N@H+](Cc3cccc(C)c3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836374 569665262 /nfs/dbraw/zinc/66/52/62/569665262.db2.gz GMEIFOFUSMVAOP-UHFFFAOYSA-N 1 1 477.672 5.428 50 0 JKAAMO CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1C[N@@H+](CCC)Cc1ccccc1 ZINC000034836567 569665714 /nfs/dbraw/zinc/66/57/14/569665714.db2.gz 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JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(C(C)C)cc1 ZINC000034836919 569666245 /nfs/dbraw/zinc/66/62/45/569666245.db2.gz ZWEUTXMZFBDZBY-UHFFFAOYSA-N 1 1 487.736 6.112 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000034836962 569666317 /nfs/dbraw/zinc/66/63/17/569666317.db2.gz HJKARHKGQXPOAD-DEOSSOPVSA-N 1 1 471.693 5.345 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000034836962 569666319 /nfs/dbraw/zinc/66/63/19/569666319.db2.gz HJKARHKGQXPOAD-DEOSSOPVSA-N 1 1 471.693 5.345 50 0 JKAAMO CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1ccccc1)C(C)C ZINC000034837018 569666478 /nfs/dbraw/zinc/66/64/78/569666478.db2.gz XZKDOVGCUXDEAI-UHFFFAOYSA-N 1 1 480.100 5.641 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000034856257 569667410 /nfs/dbraw/zinc/66/74/10/569667410.db2.gz XYOGHGRYZQUEPF-QZTJIDSGSA-N 1 1 470.679 5.806 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000034856257 569667412 /nfs/dbraw/zinc/66/74/12/569667412.db2.gz XYOGHGRYZQUEPF-QZTJIDSGSA-N 1 1 470.679 5.806 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@@H](C)C2 ZINC000034856236 569667472 /nfs/dbraw/zinc/66/74/72/569667472.db2.gz STEGQUGUEKRUIS-HUUCEWRRSA-N 1 1 482.568 5.527 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)sc2c1CC[C@@H](C)C2 ZINC000034856236 569667473 /nfs/dbraw/zinc/66/74/73/569667473.db2.gz STEGQUGUEKRUIS-HUUCEWRRSA-N 1 1 482.568 5.527 50 0 JKAAMO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000034878949 569668709 /nfs/dbraw/zinc/66/87/09/569668709.db2.gz YKNOVLLVFCLDGI-HHHXNRCGSA-N 1 1 456.611 5.394 50 0 JKAAMO FC(F)(F)Oc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000035169605 569677201 /nfs/dbraw/zinc/67/72/01/569677201.db2.gz NHUSTCBMMLGGKJ-UHFFFAOYSA-N 1 1 471.548 5.689 50 0 JKAAMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000068755447 569692112 /nfs/dbraw/zinc/69/21/12/569692112.db2.gz HJMLBEYOJUXEME-CQSZACIVSA-N 1 1 476.465 5.150 50 0 JKAAMO Cc1[nH+]cn(CC(=O)N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)c2ccc(C)c(C)c2)c1C ZINC000069419763 569693009 /nfs/dbraw/zinc/69/30/09/569693009.db2.gz AVUZBHBLQVLPPN-NOZRDPDXSA-N 1 1 474.649 5.201 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2)CC[N@H+](C)C4)cc1 ZINC000035426978 569694009 /nfs/dbraw/zinc/69/40/09/569694009.db2.gz FWVHCHRIBIGZMW-AREMUKBSSA-N 1 1 484.625 5.672 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2)CC[N@@H+](C)C4)cc1 ZINC000035426978 569694010 /nfs/dbraw/zinc/69/40/10/569694010.db2.gz FWVHCHRIBIGZMW-AREMUKBSSA-N 1 1 484.625 5.672 50 0 JKAAMO CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CC[N@H+](C)C3 ZINC000035426974 569694022 /nfs/dbraw/zinc/69/40/22/569694022.db2.gz ANGHYFUDEPRDNS-IBGZPJMESA-N 1 1 474.552 6.044 50 0 JKAAMO CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CC[N@@H+](C)C3 ZINC000035426974 569694023 /nfs/dbraw/zinc/69/40/23/569694023.db2.gz ANGHYFUDEPRDNS-IBGZPJMESA-N 1 1 474.552 6.044 50 0 JKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@@H+](C)CC4)cc1Cl ZINC000035426951 569694035 /nfs/dbraw/zinc/69/40/35/569694035.db2.gz CZZOAUNZMSALCP-CQSZACIVSA-N 1 1 487.025 5.306 50 0 JKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@H+](C)CC4)cc1Cl ZINC000035426951 569694036 /nfs/dbraw/zinc/69/40/36/569694036.db2.gz CZZOAUNZMSALCP-CQSZACIVSA-N 1 1 487.025 5.306 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2C)CC[N@H+](C)C4)cc1 ZINC000035426982 569694050 /nfs/dbraw/zinc/69/40/50/569694050.db2.gz BDUDGHWIADSUGV-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2C)CC[N@@H+](C)C4)cc1 ZINC000035426982 569694051 /nfs/dbraw/zinc/69/40/51/569694051.db2.gz BDUDGHWIADSUGV-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427020 569694056 /nfs/dbraw/zinc/69/40/56/569694056.db2.gz UTUDMSXIXFIYSG-XMMPIXPASA-N 1 1 499.080 5.221 50 0 JKAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427020 569694057 /nfs/dbraw/zinc/69/40/57/569694057.db2.gz UTUDMSXIXFIYSG-XMMPIXPASA-N 1 1 499.080 5.221 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1 ZINC000035427044 569694180 /nfs/dbraw/zinc/69/41/80/569694180.db2.gz KEONPNSAJCOVII-SANMLTNESA-N 1 1 486.616 6.111 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427044 569694181 /nfs/dbraw/zinc/69/41/81/569694181.db2.gz KEONPNSAJCOVII-SANMLTNESA-N 1 1 486.616 6.111 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427410 569694210 /nfs/dbraw/zinc/69/42/10/569694210.db2.gz SZHKVZUBLYQMNC-AREMUKBSSA-N 1 1 476.690 5.886 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccccc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427402 569694213 /nfs/dbraw/zinc/69/42/13/569694213.db2.gz TUNZHUPBYOLNQX-MUUNZHRXSA-N 1 1 496.680 6.040 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427396 569694231 /nfs/dbraw/zinc/69/42/31/569694231.db2.gz QJCQCXGASSQRSW-NDEPHWFRSA-N 1 1 496.680 6.671 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427092 569694234 /nfs/dbraw/zinc/69/42/34/569694234.db2.gz NHFLXKYUNFYRPB-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427092 569694235 /nfs/dbraw/zinc/69/42/35/569694235.db2.gz NHFLXKYUNFYRPB-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)c(C)c1 ZINC000035427085 569694254 /nfs/dbraw/zinc/69/42/54/569694254.db2.gz JTJWFJMWFRNLIL-MHZLTWQESA-N 1 1 482.653 6.281 50 0 JKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)c(C)c1 ZINC000035427085 569694255 /nfs/dbraw/zinc/69/42/55/569694255.db2.gz JTJWFJMWFRNLIL-MHZLTWQESA-N 1 1 482.653 6.281 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427069 569694262 /nfs/dbraw/zinc/69/42/62/569694262.db2.gz WQDCCPSAJMHSTL-RUZDIDTESA-N 1 1 489.044 6.317 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427069 569694264 /nfs/dbraw/zinc/69/42/64/569694264.db2.gz WQDCCPSAJMHSTL-RUZDIDTESA-N 1 1 489.044 6.317 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427042 569694282 /nfs/dbraw/zinc/69/42/82/569694282.db2.gz KOSWCZYRPBPUTQ-RUZDIDTESA-N 1 1 472.589 5.803 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427042 569694283 /nfs/dbraw/zinc/69/42/83/569694283.db2.gz KOSWCZYRPBPUTQ-RUZDIDTESA-N 1 1 472.589 5.803 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(OC)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427416 569694349 /nfs/dbraw/zinc/69/43/49/569694349.db2.gz JIUOMOMESROARX-MHZLTWQESA-N 1 1 498.652 6.063 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427425 569694411 /nfs/dbraw/zinc/69/44/11/569694411.db2.gz VERIJJMLOKIZQF-NDEPHWFRSA-N 1 1 496.680 6.671 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427448 569694437 /nfs/dbraw/zinc/69/44/37/569694437.db2.gz XJIYUENXQJYOBD-RUZDIDTESA-N 1 1 462.663 5.578 50 0 JKAAMO CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2Cc1cccc(Cl)c1 ZINC000035562581 569704775 /nfs/dbraw/zinc/70/47/75/569704775.db2.gz BWUPOQZEYSOGIE-UHFFFAOYSA-N 1 1 488.031 5.700 50 0 JKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035579370 569704900 /nfs/dbraw/zinc/70/49/00/569704900.db2.gz ICABOXBZOQAMKH-HXUWFJFHSA-N 1 1 458.433 5.723 50 0 JKAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000079060769 569706926 /nfs/dbraw/zinc/70/69/26/569706926.db2.gz CFPLBKMGSULILM-UHFFFAOYSA-N 1 1 455.989 6.647 50 0 JKAAMO Cc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(C)c2c2occ(-c3ccccc3)c21 ZINC000079188764 569707086 /nfs/dbraw/zinc/70/70/86/569707086.db2.gz TWXFFGDXECIEOL-WIOPSUGQSA-N 1 1 498.623 5.746 50 0 biogenic JKAAMO Cc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C1CCCCC1 ZINC000084291253 569708962 /nfs/dbraw/zinc/70/89/62/569708962.db2.gz ITDPYCQDGGVYHH-UHFFFAOYSA-N 1 1 489.689 5.118 50 0 JKAAMO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000084522280 569709247 /nfs/dbraw/zinc/70/92/47/569709247.db2.gz LPWICKFBHBOLNF-OFVILXPXSA-N 1 1 468.041 5.115 50 0 JKAAMO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000084522270 569709264 /nfs/dbraw/zinc/70/92/64/569709264.db2.gz LPWICKFBHBOLNF-PXDATVDWSA-N 1 1 468.041 5.115 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3cccc(OCc4ccccc4)c3)c[nH]c21 ZINC000035768563 569710198 /nfs/dbraw/zinc/71/01/98/569710198.db2.gz DJUUEOQGPCREHS-LJAQVGFWSA-N 1 1 495.667 5.995 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000085649853 569712367 /nfs/dbraw/zinc/71/23/67/569712367.db2.gz LWICRMAPEDVSPY-UHFFFAOYSA-N 1 1 451.574 5.139 50 0 JKAAMO Cc1cc(Nc2nc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc3occc32)ccc1Br ZINC000085651289 569713051 /nfs/dbraw/zinc/71/30/51/569713051.db2.gz MVWOFBUVMFRLPP-MRXNPFEDSA-N 1 1 471.399 5.247 50 0 JKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840578 569713756 /nfs/dbraw/zinc/71/37/56/569713756.db2.gz HHWMKTBUYBHDNS-SANMLTNESA-N 1 1 454.586 5.229 50 0 JKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840789 569713762 /nfs/dbraw/zinc/71/37/62/569713762.db2.gz UZFZJFHVDKDASN-SSEXGKCCSA-N 1 1 460.662 5.805 50 0 JKAAMO Cc1ccccc1C[N@@H+](CCN1CCOCC1)Cc1cccn1Cc1cccc(C(F)(F)F)c1 ZINC000035841178 569713924 /nfs/dbraw/zinc/71/39/24/569713924.db2.gz CYRRACQCUNEWFJ-UHFFFAOYSA-N 1 1 471.567 5.198 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840806 569713984 /nfs/dbraw/zinc/71/39/84/569713984.db2.gz OFCWEYKWPMABAI-HHHXNRCGSA-N 1 1 450.598 5.559 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842579 569714213 /nfs/dbraw/zinc/71/42/13/569714213.db2.gz ZTOWJZOICHNDLM-HHHXNRCGSA-N 1 1 491.720 5.910 50 0 JKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843613 569714531 /nfs/dbraw/zinc/71/45/31/569714531.db2.gz GZURJDRUYWLODB-OAQYLSRUSA-N 1 1 451.405 5.073 50 0 JKAAMO Fc1ccc(C[N@H+](CCN2CCOCC2)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000035844678 569715138 /nfs/dbraw/zinc/71/51/38/569715138.db2.gz VUCFJOGSBMVEKL-UHFFFAOYSA-N 1 1 493.520 5.168 50 0 JKAAMO Fc1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000035844678 569715140 /nfs/dbraw/zinc/71/51/40/569715140.db2.gz VUCFJOGSBMVEKL-UHFFFAOYSA-N 1 1 493.520 5.168 50 0 JKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844722 569715145 /nfs/dbraw/zinc/71/51/45/569715145.db2.gz GBYQMSHUXSIWIE-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844697 569715199 /nfs/dbraw/zinc/71/51/99/569715199.db2.gz TYTWVPDEUOWSPB-GOSISDBHSA-N 1 1 450.495 6.880 50 0 JKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844723 569715209 /nfs/dbraw/zinc/71/52/09/569715209.db2.gz PSRFANPKFHDSPF-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844723 569715211 /nfs/dbraw/zinc/71/52/11/569715211.db2.gz PSRFANPKFHDSPF-UHFFFAOYSA-N 1 1 450.495 6.882 50 0 JKAAMO COC(=O)c1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C(C)C)c1 ZINC000035844700 569715259 /nfs/dbraw/zinc/71/52/59/569715259.db2.gz CPONKIKWFCMBNB-FQEVSTJZSA-N 1 1 472.551 6.389 50 0 JKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844785 569715350 /nfs/dbraw/zinc/71/53/50/569715350.db2.gz QJGTYLASPWQGQI-XMMPIXPASA-N 1 1 474.689 6.758 50 0 JKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(Br)cc1 ZINC000035844808 569715463 /nfs/dbraw/zinc/71/54/63/569715463.db2.gz ITUHGPNZKMGMCG-NRFANRHFSA-N 1 1 497.477 6.223 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844948 569715569 /nfs/dbraw/zinc/71/55/69/569715569.db2.gz PJTWNHKXOQANQY-UHFFFAOYSA-N 1 1 476.514 6.125 50 0 JKAAMO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844928 569715572 /nfs/dbraw/zinc/71/55/72/569715572.db2.gz YCHSGFLJEXVAHL-UHFFFAOYSA-N 1 1 483.052 5.742 50 0 JKAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844928 569715573 /nfs/dbraw/zinc/71/55/73/569715573.db2.gz YCHSGFLJEXVAHL-UHFFFAOYSA-N 1 1 483.052 5.742 50 0 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COc1cccc([C@H](CC(=O)NCCC[N@H+]2CCCC[C@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000035910714 569725912 /nfs/dbraw/zinc/72/59/12/569725912.db2.gz JAMXHXVUHRCKPC-OFNKIYASSA-N 1 1 463.622 5.088 50 0 JKAAMO Fc1ccc(C(CCC[N@@H+]2CC=C(Oc3ccc(F)cc3F)CC2)c2ccc(F)cc2)cc1 ZINC000095918222 569729610 /nfs/dbraw/zinc/72/96/10/569729610.db2.gz MVNAWLTYSZZPBK-UHFFFAOYSA-N 1 1 455.495 6.824 50 0 JKAAMO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035926127 569729700 /nfs/dbraw/zinc/72/97/00/569729700.db2.gz OLRNNQDDLVXLDQ-NRFANRHFSA-N 1 1 472.612 5.571 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990998 569744217 /nfs/dbraw/zinc/74/42/17/569744217.db2.gz FJIJTEFPCBVKKS-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990998 569744218 /nfs/dbraw/zinc/74/42/18/569744218.db2.gz FJIJTEFPCBVKKS-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991216 569744341 /nfs/dbraw/zinc/74/43/41/569744341.db2.gz CAGLQOSFAKNBEZ-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991216 569744342 /nfs/dbraw/zinc/74/43/42/569744342.db2.gz CAGLQOSFAKNBEZ-QFIPXVFZSA-N 1 1 476.404 5.029 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=S)Nc1cccc(C)c1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041095 569753608 /nfs/dbraw/zinc/75/36/08/569753608.db2.gz STNSGZXHSCZXGO-VWLOTQADSA-N 1 1 475.658 5.407 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=S)Nc1cccc(C)c1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041095 569753609 /nfs/dbraw/zinc/75/36/09/569753609.db2.gz STNSGZXHSCZXGO-VWLOTQADSA-N 1 1 475.658 5.407 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036041081 569753642 /nfs/dbraw/zinc/75/36/42/569753642.db2.gz SUVZYNGMHVHTFG-RUZDIDTESA-N 1 1 459.590 5.242 50 0 JKAAMO 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CC[C@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048343 569755903 /nfs/dbraw/zinc/75/59/03/569755903.db2.gz AGCDRCIEVWHYJQ-LBNVMWSVSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048343 569755905 /nfs/dbraw/zinc/75/59/05/569755905.db2.gz AGCDRCIEVWHYJQ-LBNVMWSVSA-N 1 1 474.601 5.020 50 0 JKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)CC(C)C)o1 ZINC000036202570 569757054 /nfs/dbraw/zinc/75/70/54/569757054.db2.gz SPVSGHWWGFNJJY-UHFFFAOYSA-N 1 1 465.540 6.402 50 0 JKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccc(C)o3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036202550 569757085 /nfs/dbraw/zinc/75/70/85/569757085.db2.gz WDLKYDBLHSHCBE-UHFFFAOYSA-N 1 1 489.612 6.141 50 0 JKAAMO COCCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036202225 569757092 /nfs/dbraw/zinc/75/70/92/569757092.db2.gz QEUFZYDLQABBAB-UHFFFAOYSA-N 1 1 459.561 5.742 50 0 JKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036202225 569757093 /nfs/dbraw/zinc/75/70/93/569757093.db2.gz QEUFZYDLQABBAB-UHFFFAOYSA-N 1 1 459.561 5.742 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)CC ZINC000036301657 569759027 /nfs/dbraw/zinc/75/90/27/569759027.db2.gz JYYDLGVJGKCFPH-OAQYLSRUSA-N 1 1 458.002 5.618 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](C)O)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301710 569759217 /nfs/dbraw/zinc/75/92/17/569759217.db2.gz YQOMAKRCKJNGEX-KRWDZBQOSA-N 1 1 455.986 5.228 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)C(C)C)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301694 569759252 /nfs/dbraw/zinc/75/92/52/569759252.db2.gz LQFJXSIAKGHABC-AREMUKBSSA-N 1 1 484.040 5.864 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036301783 569759267 /nfs/dbraw/zinc/75/92/67/569759267.db2.gz KQSRWVAGMKQZGZ-AREMUKBSSA-N 1 1 488.031 6.194 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301700 569759294 /nfs/dbraw/zinc/75/92/94/569759294.db2.gz JUFFMTMSRPDFBK-HSZRJFAPSA-N 1 1 484.040 6.008 50 0 JKAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036312163 569760017 /nfs/dbraw/zinc/76/00/17/569760017.db2.gz MLLIHWZXBVHBML-SFHVURJKSA-N 1 1 485.003 5.327 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313005 569760568 /nfs/dbraw/zinc/76/05/68/569760568.db2.gz WYYCHIWVOIVBSD-OZXSUGGESA-N 1 1 477.649 5.510 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313750 569760906 /nfs/dbraw/zinc/76/09/06/569760906.db2.gz LBFXIMKSWOVTAK-XMMPIXPASA-N 1 1 479.621 5.124 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313750 569760907 /nfs/dbraw/zinc/76/09/07/569760907.db2.gz LBFXIMKSWOVTAK-XMMPIXPASA-N 1 1 479.621 5.124 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036313738 569760930 /nfs/dbraw/zinc/76/09/30/569760930.db2.gz PKHSAPCRGLPJIF-XMMPIXPASA-N 1 1 465.638 5.991 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313727 569760936 /nfs/dbraw/zinc/76/09/36/569760936.db2.gz JKFXSAAOCFJVHN-DEOSSOPVSA-N 1 1 479.621 5.124 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313727 569760937 /nfs/dbraw/zinc/76/09/37/569760937.db2.gz JKFXSAAOCFJVHN-DEOSSOPVSA-N 1 1 479.621 5.124 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313705 569760942 /nfs/dbraw/zinc/76/09/42/569760942.db2.gz RZGGEQBOJBRJQZ-JOCHJYFZSA-N 1 1 472.029 5.626 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313705 569760943 /nfs/dbraw/zinc/76/09/43/569760943.db2.gz RZGGEQBOJBRJQZ-JOCHJYFZSA-N 1 1 472.029 5.626 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313671 569760957 /nfs/dbraw/zinc/76/09/57/569760957.db2.gz OCPVJDJQVOKCAA-HSZRJFAPSA-N 1 1 465.638 5.999 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313665 569760972 /nfs/dbraw/zinc/76/09/72/569760972.db2.gz BNIMEAXHNKEFLC-XMMPIXPASA-N 1 1 477.649 5.999 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313770 569761025 /nfs/dbraw/zinc/76/10/25/569761025.db2.gz FZVNYDSIVQWRGH-JOCHJYFZSA-N 1 1 451.611 5.650 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313775 569761031 /nfs/dbraw/zinc/76/10/31/569761031.db2.gz HRHVYEBHBUUGSJ-HSZRJFAPSA-N 1 1 479.621 5.030 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036313736 569761058 /nfs/dbraw/zinc/76/10/58/569761058.db2.gz PKHSAPCRGLPJIF-DEOSSOPVSA-N 1 1 465.638 5.991 50 0 JKAAMO 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CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036316469 569763068 /nfs/dbraw/zinc/76/30/68/569763068.db2.gz XXOXCTDDWVAQQF-JOCHJYFZSA-N 1 1 469.601 5.364 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036316507 569763268 /nfs/dbraw/zinc/76/32/68/569763268.db2.gz DAAUHQPZRUWCER-XMMPIXPASA-N 1 1 483.628 5.612 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036316502 569763271 /nfs/dbraw/zinc/76/32/71/569763271.db2.gz LMINUXCYTSLJSZ-QHCPKHFHSA-N 1 1 469.601 5.364 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036342012 569765037 /nfs/dbraw/zinc/76/50/37/569765037.db2.gz CIPQFWXPVBYLNG-OFNKIYASSA-N 1 1 483.628 5.889 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342008 569765043 /nfs/dbraw/zinc/76/50/43/569765043.db2.gz HZOWYFLPMBRRRR-OFNKIYASSA-N 1 1 469.601 5.499 50 0 JKAAMO 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CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345798 569768219 /nfs/dbraw/zinc/76/82/19/569768219.db2.gz VPRIYPCMQQUGQC-DEOSSOPVSA-N 1 1 483.628 5.754 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036345861 569768332 /nfs/dbraw/zinc/76/83/32/569768332.db2.gz SYWSBQZXBCJZRJ-VWLOTQADSA-N 1 1 465.638 5.525 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036345886 569768390 /nfs/dbraw/zinc/76/83/90/569768390.db2.gz NQFAWKMFSWOFMQ-MHZLTWQESA-N 1 1 467.613 5.849 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)c1ccccc1 ZINC000036345907 569768408 /nfs/dbraw/zinc/76/84/08/569768408.db2.gz LSMXQIANMUILMV-NDEPHWFRSA-N 1 1 455.602 6.227 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036345865 569768433 /nfs/dbraw/zinc/76/84/33/569768433.db2.gz LSWSWNUHWDGRJB-DEOSSOPVSA-N 1 1 465.638 5.668 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036345856 569768465 /nfs/dbraw/zinc/76/84/65/569768465.db2.gz VNBVEVACDICEKP-MUUNZHRXSA-N 1 1 499.655 6.070 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345905 569768475 /nfs/dbraw/zinc/76/84/75/569768475.db2.gz CQXFFHHIKJJBEZ-RUZDIDTESA-N 1 1 465.638 5.671 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036345919 569768563 /nfs/dbraw/zinc/76/85/63/569768563.db2.gz AVCLVGVUQHUPQH-VWLOTQADSA-N 1 1 465.638 5.527 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346097 569768741 /nfs/dbraw/zinc/76/87/41/569768741.db2.gz LPQIWMYSSSFEOZ-QHCPKHFHSA-N 1 1 481.612 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346098 569768802 /nfs/dbraw/zinc/76/88/02/569768802.db2.gz LPQIWMYSSSFEOZ-HSZRJFAPSA-N 1 1 481.612 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346087 569768819 /nfs/dbraw/zinc/76/88/19/569768819.db2.gz KBCFPAJDYUAWKF-AREMUKBSSA-N 1 1 485.603 5.928 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346089 569768828 /nfs/dbraw/zinc/76/88/28/569768828.db2.gz SSRSCRGAAYVQAA-DEOSSOPVSA-N 1 1 481.612 5.358 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036346018 569768907 /nfs/dbraw/zinc/76/89/07/569768907.db2.gz ROOXPRLORQNTNE-XMMPIXPASA-N 1 1 487.575 5.516 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036346018 569768908 /nfs/dbraw/zinc/76/89/08/569768908.db2.gz ROOXPRLORQNTNE-XMMPIXPASA-N 1 1 487.575 5.516 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346186 569769226 /nfs/dbraw/zinc/76/92/26/569769226.db2.gz PDZJRYUJRMHQMZ-DHLKQENFSA-N 1 1 479.665 6.058 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346185 569769353 /nfs/dbraw/zinc/76/93/53/569769353.db2.gz PDZJRYUJRMHQMZ-RDGATRHJSA-N 1 1 479.665 6.058 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036346293 569769473 /nfs/dbraw/zinc/76/94/73/569769473.db2.gz UQDYIPPOAFIYLA-AREMUKBSSA-N 1 1 473.592 5.926 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346316 569769491 /nfs/dbraw/zinc/76/94/91/569769491.db2.gz WXIPNPZQGLYDIU-RDPSFJRHSA-N 1 1 469.601 5.499 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346296 569769559 /nfs/dbraw/zinc/76/95/59/569769559.db2.gz JCIOEHGMKXHTHD-XMMPIXPASA-N 1 1 469.601 5.356 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036346418 569769622 /nfs/dbraw/zinc/76/96/22/569769622.db2.gz LTUDNZDRTIHKRI-MUUNZHRXSA-N 1 1 471.576 6.058 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346360 569769652 /nfs/dbraw/zinc/76/96/52/569769652.db2.gz BMOLKSYYSAJKCY-HSZRJFAPSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346360 569769653 /nfs/dbraw/zinc/76/96/53/569769653.db2.gz BMOLKSYYSAJKCY-HSZRJFAPSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346424 569769658 /nfs/dbraw/zinc/76/96/58/569769658.db2.gz UJIXXXCGERBUAW-MHZLTWQESA-N 1 1 485.603 5.928 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346372 569769752 /nfs/dbraw/zinc/76/97/52/569769752.db2.gz RPNMVDJBOOWKOF-QHCPKHFHSA-N 1 1 455.574 5.110 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346507 569769833 /nfs/dbraw/zinc/76/98/33/569769833.db2.gz OIYFXYRFYSFFPT-DEOSSOPVSA-N 1 1 465.638 5.532 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346509 569769877 /nfs/dbraw/zinc/76/98/77/569769877.db2.gz VNUNBOSZXKYTFG-VWLOTQADSA-N 1 1 479.665 5.779 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)COC ZINC000036346497 569769913 /nfs/dbraw/zinc/76/99/13/569769913.db2.gz JWXZFACYNATHHL-QFIPXVFZSA-N 1 1 467.610 5.016 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346550 569770103 /nfs/dbraw/zinc/77/01/03/569770103.db2.gz XUMMMRRDOXDYIK-DEOSSOPVSA-N 1 1 463.622 5.145 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346554 569770121 /nfs/dbraw/zinc/77/01/21/569770121.db2.gz GCPXNRQUHWFIMD-RUZDIDTESA-N 1 1 461.650 6.299 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346537 569770124 /nfs/dbraw/zinc/77/01/24/569770124.db2.gz YIVFIKWMJGUMEG-AREMUKBSSA-N 1 1 491.676 5.781 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346578 569770133 /nfs/dbraw/zinc/77/01/33/569770133.db2.gz ANFMVUHMYASPRG-JOCHJYFZSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346578 569770134 /nfs/dbraw/zinc/77/01/34/569770134.db2.gz ANFMVUHMYASPRG-JOCHJYFZSA-N 1 1 473.564 5.251 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346640 569770327 /nfs/dbraw/zinc/77/03/27/569770327.db2.gz HEIYELNWQWRMJJ-HSZRJFAPSA-N 1 1 487.591 5.638 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346652 569770374 /nfs/dbraw/zinc/77/03/74/569770374.db2.gz KMTZRCANRMIKGI-HSZRJFAPSA-N 1 1 473.564 5.249 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346618 569770390 /nfs/dbraw/zinc/77/03/90/569770390.db2.gz ZHDMPAKBUCLVJY-QHCPKHFHSA-N 1 1 487.591 5.641 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346732 569770525 /nfs/dbraw/zinc/77/05/25/569770525.db2.gz XYCVCECDSIZKJH-HSZRJFAPSA-N 1 1 485.575 5.392 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346732 569770526 /nfs/dbraw/zinc/77/05/26/569770526.db2.gz XYCVCECDSIZKJH-HSZRJFAPSA-N 1 1 485.575 5.392 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346744 569770762 /nfs/dbraw/zinc/77/07/62/569770762.db2.gz GQEUNZITYBRZAS-DEOSSOPVSA-N 1 1 485.575 5.393 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346744 569770763 /nfs/dbraw/zinc/77/07/63/569770763.db2.gz GQEUNZITYBRZAS-DEOSSOPVSA-N 1 1 485.575 5.393 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346784 569770788 /nfs/dbraw/zinc/77/07/88/569770788.db2.gz DUJGDRFKZCMTCJ-XMMPIXPASA-N 1 1 479.665 5.822 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346742 569770803 /nfs/dbraw/zinc/77/08/03/569770803.db2.gz ATFMWBBJVOPSCS-HSZRJFAPSA-N 1 1 455.549 5.767 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346791 569770809 /nfs/dbraw/zinc/77/08/09/569770809.db2.gz DGBDPZRSGVKIJF-HSZRJFAPSA-N 1 1 451.611 5.043 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036346750 569770915 /nfs/dbraw/zinc/77/09/15/569770915.db2.gz BUZXDEYPNGORLL-SANMLTNESA-N 1 1 491.582 6.067 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000036347896 569771007 /nfs/dbraw/zinc/77/10/07/569771007.db2.gz GFIAOZWMIFCKDO-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000036347896 569771008 /nfs/dbraw/zinc/77/10/08/569771008.db2.gz GFIAOZWMIFCKDO-GDLZYMKVSA-N 1 1 454.570 6.293 50 0 JKAAMO CN(C(=S)NCCC[NH+]1CCOCC1)[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000036575499 569776733 /nfs/dbraw/zinc/77/67/33/569776733.db2.gz MCRVSVRNRBHWBE-DVECYGJZSA-N 1 1 492.516 5.489 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000036628197 569779022 /nfs/dbraw/zinc/77/90/22/569779022.db2.gz YCDSCHVDSYHJHX-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000036628267 569779061 /nfs/dbraw/zinc/77/90/61/569779061.db2.gz MQALMJINSPCEOY-UHFFFAOYSA-N 1 1 493.998 5.703 50 0 JKAAMO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)cc1 ZINC000036628177 569779077 /nfs/dbraw/zinc/77/90/77/569779077.db2.gz OIXPIKOKOQBUSZ-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276290 569782159 /nfs/dbraw/zinc/78/21/59/569782159.db2.gz OYTMRPUISWKNIR-LBNVMWSVSA-N 1 1 492.610 5.987 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276295 569782209 /nfs/dbraw/zinc/78/22/09/569782209.db2.gz NWOCSYSKBPMBNH-OFSOJUDTSA-N 1 1 488.647 6.157 50 0 JKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000037384572 569785710 /nfs/dbraw/zinc/78/57/10/569785710.db2.gz LJVJJQIYTPHGDT-UHFFFAOYSA-N 1 1 466.629 5.667 50 0 JKAAMO CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)n2c3cc(C)c(C)cc3nc2Cc2ccc(F)cc2)CC1 ZINC000037397177 569786639 /nfs/dbraw/zinc/78/66/39/569786639.db2.gz JVHGUSNZKAXVHO-GDLZYMKVSA-N 1 1 484.619 5.137 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523990 569792900 /nfs/dbraw/zinc/79/29/00/569792900.db2.gz LWLHMMLMCJRQTI-ISKFKSNPSA-N 1 1 458.593 5.330 50 0 JKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2Cc2ccc(F)c(F)c2)s1 ZINC000037541275 569793784 /nfs/dbraw/zinc/79/37/84/569793784.db2.gz GXRFKELNWWEDPS-UHFFFAOYSA-N 1 1 465.569 5.296 50 0 JKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037570689 569795873 /nfs/dbraw/zinc/79/58/73/569795873.db2.gz JWKRODBCWNXOFN-UHFFFAOYSA-N 1 1 476.976 5.478 50 0 JKAAMO COc1cc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037572205 569795901 /nfs/dbraw/zinc/79/59/01/569795901.db2.gz DQBYSIXDDILVCW-UHFFFAOYSA-N 1 1 494.657 5.181 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3F)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000037570678 569795909 /nfs/dbraw/zinc/79/59/09/569795909.db2.gz KPUAMAAWDPGTHM-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037571130 569795923 /nfs/dbraw/zinc/79/59/23/569795923.db2.gz NPTNFEOFWMCSQS-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000037570679 569795957 /nfs/dbraw/zinc/79/59/57/569795957.db2.gz UBTUWSUQKSFARC-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587633 569796662 /nfs/dbraw/zinc/79/66/62/569796662.db2.gz XFADLHDGFBKZHY-UHFFFAOYSA-N 1 1 454.492 5.424 50 0 JKAAMO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1OC ZINC000037580734 569796673 /nfs/dbraw/zinc/79/66/73/569796673.db2.gz TUSTXKHLESCNGI-UHFFFAOYSA-N 1 1 496.554 5.302 50 0 JKAAMO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037587646 569796744 /nfs/dbraw/zinc/79/67/44/569796744.db2.gz AUTUELLBKSOJGM-UHFFFAOYSA-N 1 1 458.911 6.069 50 0 JKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCC5)CC4)n3c2)cc1 ZINC000101620017 569801841 /nfs/dbraw/zinc/80/18/41/569801841.db2.gz UNJAZSPBILIXRP-UHFFFAOYSA-N 1 1 492.623 5.315 50 0 JKAAMO CCc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545936 569802581 /nfs/dbraw/zinc/80/25/81/569802581.db2.gz SIIRTYJGOOFTIM-NRFANRHFSA-N 1 1 473.436 6.494 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2cccc(OC)c2)CC1 ZINC000038546346 569802951 /nfs/dbraw/zinc/80/29/51/569802951.db2.gz BLEKEGWHPCFYQV-QHCPKHFHSA-N 1 1 482.602 5.275 50 0 JKAAMO CCc1cc([C@H](c2ccc(Br)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546465 569803078 /nfs/dbraw/zinc/80/30/78/569803078.db2.gz LXAHFYDYHCNNFU-NRFANRHFSA-N 1 1 488.451 5.255 50 0 JKAAMO Cc1cc([C@H](c2ccc(Br)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546425 569803104 /nfs/dbraw/zinc/80/31/04/569803104.db2.gz IDDNKFVMQDETSL-FQEVSTJZSA-N 1 1 474.424 5.001 50 0 JKAAMO CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546466 569803128 /nfs/dbraw/zinc/80/31/28/569803128.db2.gz GBIVALLMNNQQIN-XMMPIXPASA-N 1 1 451.636 5.616 50 0 JKAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000038546495 569803200 /nfs/dbraw/zinc/80/32/00/569803200.db2.gz UAVOJPZUMIEOOP-HSZRJFAPSA-N 1 1 470.038 5.462 50 0 JKAAMO CCOc1ccc([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546511 569803268 /nfs/dbraw/zinc/80/32/68/569803268.db2.gz CNMSEZKWLDYCDT-VWLOTQADSA-N 1 1 479.646 5.208 50 0 JKAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000038546494 569803292 /nfs/dbraw/zinc/80/32/92/569803292.db2.gz UAVOJPZUMIEOOP-QHCPKHFHSA-N 1 1 470.038 5.462 50 0 JKAAMO CC[NH+]1CCN([C@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546601 569803386 /nfs/dbraw/zinc/80/33/86/569803386.db2.gz IZLMTLQAASBAOX-JOCHJYFZSA-N 1 1 455.649 5.261 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546757 569803481 /nfs/dbraw/zinc/80/34/81/569803481.db2.gz CEGAAKXYSQMQFI-OAQYLSRUSA-N 1 1 491.629 5.617 50 0 JKAAMO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000038546726 569803505 /nfs/dbraw/zinc/80/35/05/569803505.db2.gz LYFNOVFLXNXAQQ-JOCHJYFZSA-N 1 1 455.649 5.024 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546758 569803691 /nfs/dbraw/zinc/80/36/91/569803691.db2.gz CEGAAKXYSQMQFI-NRFANRHFSA-N 1 1 491.629 5.617 50 0 JKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000038547032 569803870 /nfs/dbraw/zinc/80/38/70/569803870.db2.gz QFYHYSKUKDYWHE-VWLOTQADSA-N 1 1 457.599 6.531 50 0 JKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000038547033 569803874 /nfs/dbraw/zinc/80/38/74/569803874.db2.gz QFYHYSKUKDYWHE-RUZDIDTESA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc3c(c2)OCO3)[nH+]1 ZINC000038547455 569803962 /nfs/dbraw/zinc/80/39/62/569803962.db2.gz UOIMCVXGWVMOHS-RUZDIDTESA-N 1 1 487.581 6.106 50 0 JKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000038547026 569803992 /nfs/dbraw/zinc/80/39/92/569803992.db2.gz MYALLYYXJKWJHN-VWLOTQADSA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C(C)C)cc2)c1C ZINC000038547655 569804047 /nfs/dbraw/zinc/80/40/47/569804047.db2.gz AQUPUTMQRMJJMO-VWLOTQADSA-N 1 1 459.615 7.239 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(Cl)cc2)c1C ZINC000038547559 569804162 /nfs/dbraw/zinc/80/41/62/569804162.db2.gz URSBUYCNLHBWBT-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccc(Br)c2)c1C ZINC000038547665 569804196 /nfs/dbraw/zinc/80/41/96/569804196.db2.gz GIKCPLCAPFSZGN-QFIPXVFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(OC(F)F)cc2)c1C ZINC000038547661 569804200 /nfs/dbraw/zinc/80/42/00/569804200.db2.gz CUPWOGGVNOHGBR-QFIPXVFZSA-N 1 1 483.540 6.717 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547830 569804318 /nfs/dbraw/zinc/80/43/18/569804318.db2.gz UMXJXXJLZHAOSC-JOCHJYFZSA-N 1 1 485.531 7.080 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547896 569804551 /nfs/dbraw/zinc/80/45/51/569804551.db2.gz VPRFHMZRPRUAID-JOCHJYFZSA-N 1 1 483.540 6.662 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000038547921 569804576 /nfs/dbraw/zinc/80/45/76/569804576.db2.gz POVVGUWKZVKGQC-QHCPKHFHSA-N 1 1 461.543 5.789 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1 ZINC000038547929 569804626 /nfs/dbraw/zinc/80/46/26/569804626.db2.gz OEIQVUMCRHRWSG-QHCPKHFHSA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cc(OC)ccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547935 569804628 /nfs/dbraw/zinc/80/46/28/569804628.db2.gz ODGDZEQNRCGFMT-DEOSSOPVSA-N 1 1 477.586 6.078 50 0 JKAAMO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)c1OC ZINC000038550546 569804975 /nfs/dbraw/zinc/80/49/75/569804975.db2.gz BCFXZEXEXMOZAH-QFIPXVFZSA-N 1 1 485.675 5.033 50 0 JKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551045 569805095 /nfs/dbraw/zinc/80/50/95/569805095.db2.gz FXTVGYHCZNIEOO-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO CSc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551109 569805132 /nfs/dbraw/zinc/80/51/32/569805132.db2.gz JLSZGEPQJFDDSC-VWLOTQADSA-N 1 1 489.666 7.099 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038550983 569805146 /nfs/dbraw/zinc/80/51/46/569805146.db2.gz QXLZVZOZXAODLH-JOCHJYFZSA-N 1 1 451.979 6.714 50 0 JKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038551032 569805171 /nfs/dbraw/zinc/80/51/71/569805171.db2.gz IWGRPLNTQPXLNV-XMMPIXPASA-N 1 1 473.598 6.231 50 0 JKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000038551049 569805174 /nfs/dbraw/zinc/80/51/74/569805174.db2.gz VMLRDTMKGBYZNT-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO CSc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551111 569805212 /nfs/dbraw/zinc/80/52/12/569805212.db2.gz JLSZGEPQJFDDSC-RUZDIDTESA-N 1 1 489.666 7.099 50 0 JKAAMO O=C(Nc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1Cl)c1cccs1 ZINC000040089256 569815950 /nfs/dbraw/zinc/81/59/50/569815950.db2.gz BLCBVVTZOPZVMY-OAQYLSRUSA-N 1 1 488.440 5.874 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051849 569832397 /nfs/dbraw/zinc/83/23/97/569832397.db2.gz XEIRPBGTOLVZBH-PPHZAIPVSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051849 569832398 /nfs/dbraw/zinc/83/23/98/569832398.db2.gz XEIRPBGTOLVZBH-PPHZAIPVSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000103174624 569833620 /nfs/dbraw/zinc/83/36/20/569833620.db2.gz IRQMQBQGXMHIOB-HSZRJFAPSA-N 1 1 489.623 6.120 50 0 JKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000103208245 569833780 /nfs/dbraw/zinc/83/37/80/569833780.db2.gz SVELAAHXTNADKY-IAPPQJPRSA-N 1 1 464.669 6.475 50 0 JKAAMO C[C@@H](C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653357 569836876 /nfs/dbraw/zinc/83/68/76/569836876.db2.gz LSIWKYXVFVLBMW-ZCNNSNEGSA-N 1 1 453.030 5.687 50 0 JKAAMO O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104916639 569847118 /nfs/dbraw/zinc/84/71/18/569847118.db2.gz WVMBOVLKZUQLQJ-AOYPEHQESA-N 1 1 479.546 5.250 50 0 JKAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919475 569847192 /nfs/dbraw/zinc/84/71/92/569847192.db2.gz BBGGUECQDVGRJY-UKILVPOCSA-N 1 1 489.557 5.157 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104920865 569847528 /nfs/dbraw/zinc/84/75/28/569847528.db2.gz DPFNBUONIKTKMH-AZGAKELHSA-N 1 1 497.536 5.389 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982928 569847926 /nfs/dbraw/zinc/84/79/26/569847926.db2.gz SWNZNXGTFRGEGF-WOJBJXKFSA-N 1 1 483.411 5.304 50 0 JKAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982669 569847932 /nfs/dbraw/zinc/84/79/32/569847932.db2.gz PBULCHJEXISDOL-LOSJGSFVSA-N 1 1 452.957 5.078 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983103 569847996 /nfs/dbraw/zinc/84/79/96/569847996.db2.gz KBTBSKVYDLDWMJ-WOJBJXKFSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982637 569848092 /nfs/dbraw/zinc/84/80/92/569848092.db2.gz FXPCGERLWDQDSG-VQTJNVASSA-N 1 1 483.411 5.304 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983592 569848187 /nfs/dbraw/zinc/84/81/87/569848187.db2.gz PAGVNWUHZGQOLH-VQTJNVASSA-N 1 1 465.421 5.165 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983203 569848285 /nfs/dbraw/zinc/84/82/85/569848285.db2.gz GFSUVMKAKLETEM-XZOQPEGZSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983203 569848286 /nfs/dbraw/zinc/84/82/86/569848286.db2.gz GFSUVMKAKLETEM-XZOQPEGZSA-N 1 1 482.983 5.223 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984401 569848399 /nfs/dbraw/zinc/84/83/99/569848399.db2.gz LQMVFZQJIHTYFU-DNQXCXABSA-N 1 1 499.438 5.566 50 0 JKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984530 569848514 /nfs/dbraw/zinc/84/85/14/569848514.db2.gz UTSUGQKVIRSYTD-FYYLOGMGSA-N 1 1 485.411 5.429 50 0 JKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984530 569848515 /nfs/dbraw/zinc/84/85/15/569848515.db2.gz UTSUGQKVIRSYTD-FYYLOGMGSA-N 1 1 485.411 5.429 50 0 JKAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984509 569848556 /nfs/dbraw/zinc/84/85/56/569848556.db2.gz CNSZBAYEQWELNK-FCHUYYIVSA-N 1 1 482.518 5.016 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)CC)C[C@@H]1CCCO1 ZINC000105000760 569848920 /nfs/dbraw/zinc/84/89/20/569848920.db2.gz HGYZXCQFJOYYPK-UPVQGACJSA-N 1 1 467.585 5.118 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)CC)C[C@@H]1CCCO1 ZINC000105000760 569848922 /nfs/dbraw/zinc/84/89/22/569848922.db2.gz HGYZXCQFJOYYPK-UPVQGACJSA-N 1 1 467.585 5.118 50 0 JKAAMO C[C@H]([NH2+]Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000049581008 569849052 /nfs/dbraw/zinc/84/90/52/569849052.db2.gz ZBEHPOPXWBKQSK-LBPRGKRZSA-N 1 1 491.227 5.178 50 0 JKAAMO C[C@@H]([NH2+]Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049625242 569849802 /nfs/dbraw/zinc/84/98/02/569849802.db2.gz GCMMHGQGRUMEQC-GFCCVEGCSA-N 1 1 487.195 5.452 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105018853 569851170 /nfs/dbraw/zinc/85/11/70/569851170.db2.gz LWLHMMLMCJRQTI-VWNXMTODSA-N 1 1 458.593 5.330 50 0 JKAAMO 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CC(C)N(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245343856 570067428 /nfs/dbraw/zinc/06/74/28/570067428.db2.gz WCWPZAXEZIZWHO-OFVILXPXSA-N 1 1 488.525 6.204 50 0 JKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245343855 570067437 /nfs/dbraw/zinc/06/74/37/570067437.db2.gz WCWPZAXEZIZWHO-BWKNWUBXSA-N 1 1 488.525 6.204 50 0 JKAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247742151 570069220 /nfs/dbraw/zinc/06/92/20/570069220.db2.gz OSVSVJYTMBBQJY-HXOBKFHXSA-N 1 1 458.674 5.026 50 0 JKAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247742151 570069221 /nfs/dbraw/zinc/06/92/21/570069221.db2.gz OSVSVJYTMBBQJY-HXOBKFHXSA-N 1 1 458.674 5.026 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000248086517 570073698 /nfs/dbraw/zinc/07/36/98/570073698.db2.gz KMDUORYILZHPCS-FREGXXQWSA-N 1 1 486.656 6.287 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000248089313 570073735 /nfs/dbraw/zinc/07/37/35/570073735.db2.gz LVRXZAMUFWEVFT-UXWDXCIHSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000248089313 570073736 /nfs/dbraw/zinc/07/37/36/570073736.db2.gz LVRXZAMUFWEVFT-UXWDXCIHSA-N 1 1 495.733 5.280 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248086120 570073805 /nfs/dbraw/zinc/07/38/05/570073805.db2.gz KUWZPYDMNUZOKM-ABYGYWHVSA-N 1 1 455.646 6.014 50 0 JKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000248097247 570074023 /nfs/dbraw/zinc/07/40/23/570074023.db2.gz DCTADPKXNNCYLW-NVQXNPDNSA-N 1 1 451.561 5.070 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248118619 570074462 /nfs/dbraw/zinc/07/44/62/570074462.db2.gz WKPVCXXRLAMWQM-FIBWVYCGSA-N 1 1 484.659 6.825 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248120885 570074477 /nfs/dbraw/zinc/07/44/77/570074477.db2.gz XRASHGBJFYUEFB-LITSAYRRSA-N 1 1 472.698 6.747 50 0 JKAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248144585 570075346 /nfs/dbraw/zinc/07/53/46/570075346.db2.gz DHAGJVWJCBQOKF-QPPBQGQZSA-N 1 1 480.546 5.191 50 0 JKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248213643 570076335 /nfs/dbraw/zinc/07/63/35/570076335.db2.gz FJAFEBNWSSCYAB-RSXGOPAZSA-N 1 1 480.574 6.118 50 0 JKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)C1 ZINC000248266584 570077310 /nfs/dbraw/zinc/07/73/10/570077310.db2.gz YAWPBOODTDOMLO-SXOMAYOGSA-N 1 1 460.687 6.379 50 0 JKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)[N@@H+]4Cc5ccccc5C[C@H]4[C@H]3C2=O)cc1 ZINC000252383325 570079990 /nfs/dbraw/zinc/07/99/90/570079990.db2.gz IHCCNYSQNVISOB-LIONHTAISA-N 1 1 487.397 5.045 50 0 JKAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000252494136 570081969 /nfs/dbraw/zinc/08/19/69/570081969.db2.gz NMBGOZNZZRREED-HNNXBMFYSA-N 1 1 475.747 5.247 50 0 JKAAMO CC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(F)cc1 ZINC000253388921 570095487 /nfs/dbraw/zinc/09/54/87/570095487.db2.gz JXIPSSVBZUTZCA-URXFXBBRSA-N 1 1 450.520 5.565 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000253389764 570095651 /nfs/dbraw/zinc/09/56/51/570095651.db2.gz QEZLMUZMBBMEIT-BJKOFHAPSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000253389764 570095652 /nfs/dbraw/zinc/09/56/52/570095652.db2.gz QEZLMUZMBBMEIT-BJKOFHAPSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000253389765 570095669 /nfs/dbraw/zinc/09/56/69/570095669.db2.gz QEZLMUZMBBMEIT-DNQXCXABSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000253389765 570095670 /nfs/dbraw/zinc/09/56/70/570095670.db2.gz QEZLMUZMBBMEIT-DNQXCXABSA-N 1 1 495.639 5.898 50 0 JKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)occ3-c1ccccc1 ZINC000253413079 570098104 /nfs/dbraw/zinc/09/81/04/570098104.db2.gz SYZONDRZOBVRRU-WXVAWEFUSA-N 1 1 498.623 5.780 50 0 biogenic JKAAMO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000253501822 570102470 /nfs/dbraw/zinc/10/24/70/570102470.db2.gz ZRQKIWOCYULNCN-FPTUFGIQSA-N 1 1 455.683 5.942 50 0 JKAAMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299754424 570174059 /nfs/dbraw/zinc/17/40/59/570174059.db2.gz MXNKWVJDTAMPEL-ZEQKJWHPSA-N 1 1 488.628 5.124 50 0 biogenic JKAAMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000299754422 570174068 /nfs/dbraw/zinc/17/40/68/570174068.db2.gz MXNKWVJDTAMPEL-BVAGGSTKSA-N 1 1 488.628 5.124 50 0 biogenic JKAAMO Cc1nc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)CCc4ccccc4)cc3)C2)cs1 ZINC000299788379 570176865 /nfs/dbraw/zinc/17/68/65/570176865.db2.gz RECDDFZLNCGDOK-DEOSSOPVSA-N 1 1 463.647 5.057 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000651516 193877178 /nfs/dbraw/zinc/87/71/78/193877178.db2.gz PUFVDCJAVAZKSL-DNQXCXABSA-N 1 1 460.896 5.292 50 0 JKAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000001080384 194020326 /nfs/dbraw/zinc/02/03/26/194020326.db2.gz MLIXMOSTTVOKLF-GOTSBHOMSA-N 1 1 457.331 5.253 50 0 JKAAMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001545255 194127855 /nfs/dbraw/zinc/12/78/55/194127855.db2.gz YJPWVCIGSHWNON-UHFFFAOYSA-N 1 1 494.466 5.897 50 0 in-vitro JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1Cl ZINC000001447556 194122906 /nfs/dbraw/zinc/12/29/06/194122906.db2.gz DUCPGCVGWLEIJJ-UHFFFAOYSA-N 1 1 460.965 5.393 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000001447616 194122931 /nfs/dbraw/zinc/12/29/31/194122931.db2.gz PAFUGPMDWXMNIF-UHFFFAOYSA-N 1 1 456.347 5.857 50 0 JKAAMO Cc1ccc(C)c(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)c1 ZINC000002975066 194190669 /nfs/dbraw/zinc/19/06/69/194190669.db2.gz JZULWDSEWNCEHU-UHFFFAOYSA-N 1 1 494.042 6.684 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1Cl ZINC000002974953 194190678 /nfs/dbraw/zinc/19/06/78/194190678.db2.gz WGSRREMPUDRMQU-UHFFFAOYSA-N 1 1 459.380 7.315 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(C)cc21 ZINC000003036669 194214264 /nfs/dbraw/zinc/21/42/64/194214264.db2.gz LYSWMLHWVSNHPQ-UHFFFAOYSA-N 1 1 471.670 6.631 50 0 JKAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000003057407 194221394 /nfs/dbraw/zinc/22/13/94/194221394.db2.gz RYRIIKVRGBLIKP-UHFFFAOYSA-N 1 1 484.600 5.248 50 0 JKAAMO COc1ccc(C[C@@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@@H+]2C)cc1OC ZINC000003124392 194228809 /nfs/dbraw/zinc/22/88/09/194228809.db2.gz KOPLJIMOJIHJFE-JOCHJYFZSA-N 1 1 463.574 5.072 50 0 JKAAMO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000003108209 194226740 /nfs/dbraw/zinc/22/67/40/194226740.db2.gz LPOJYIYWLCOAPO-QPJJXVBHSA-N 1 1 479.415 5.017 50 0 JKAAMO CCOC(=O)c1c2cc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2oc1-c1ccccc1 ZINC000003253320 194252420 /nfs/dbraw/zinc/25/24/20/194252420.db2.gz XBSCYUWQHSORRO-QFIPXVFZSA-N 1 1 459.542 5.148 50 0 JKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000003384414 194310248 /nfs/dbraw/zinc/31/02/48/194310248.db2.gz VGVXOTXSLWOWKB-DEOSSOPVSA-N 1 1 461.627 6.109 50 0 JKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000003384414 194310251 /nfs/dbraw/zinc/31/02/51/194310251.db2.gz VGVXOTXSLWOWKB-DEOSSOPVSA-N 1 1 461.627 6.109 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000003634153 194345217 /nfs/dbraw/zinc/34/52/17/194345217.db2.gz IJRYCIXFVOIROC-HXUWFJFHSA-N 1 1 477.508 5.171 50 0 JKAAMO CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CC[N@@H+](C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 ZINC000003942155 194367017 /nfs/dbraw/zinc/36/70/17/194367017.db2.gz VHHVPDKNKPNKHY-JDXGNMNLSA-N 1 1 491.651 6.035 50 0 in-vitro JKAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000004196499 194383821 /nfs/dbraw/zinc/38/38/21/194383821.db2.gz ZXPQRKASESPIBB-SFHVURJKSA-N 1 1 477.870 5.012 50 0 JKAAMO COc1ccc(C2(C[N@@H+](C)CC[C@H](c3ccccc3)c3ccccc3O)CCCC2)cc1OC ZINC000009041716 194508727 /nfs/dbraw/zinc/50/87/27/194508727.db2.gz AWGOZTQYTOGBDK-RUZDIDTESA-N 1 1 459.630 6.375 50 0 JKAAMO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186432 194583225 /nfs/dbraw/zinc/58/32/25/194583225.db2.gz LIEPOPJIKJBLKK-OIFPXGRLSA-N 1 1 474.601 5.251 50 0 JKAAMO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186432 194583226 /nfs/dbraw/zinc/58/32/26/194583226.db2.gz LIEPOPJIKJBLKK-OIFPXGRLSA-N 1 1 474.601 5.251 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c12 ZINC000009266296 194648907 /nfs/dbraw/zinc/64/89/07/194648907.db2.gz VGOLBLFWGHFEFH-UHFFFAOYSA-N 1 1 468.045 5.384 50 0 JKAAMO C[NH+]1CCN(C(=O)c2ccc(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)cc2)CC1 ZINC000009311277 194684561 /nfs/dbraw/zinc/68/45/61/194684561.db2.gz BDKAHARTKXUXPO-UHFFFAOYSA-N 1 1 457.965 5.081 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2)cc1OC ZINC000009345743 194703986 /nfs/dbraw/zinc/70/39/86/194703986.db2.gz CDOZLJFKSMXDKR-VSGBNLITSA-N 1 1 496.567 5.215 50 0 JKAAMO CCc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406481 194746961 /nfs/dbraw/zinc/74/69/61/194746961.db2.gz HICUUMXEEBIMAJ-BGYRXZFFSA-N 1 1 474.674 5.876 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000009848399 194992440 /nfs/dbraw/zinc/99/24/40/194992440.db2.gz QQYBNTUZNUHRSS-FCHUYYIVSA-N 1 1 470.727 5.679 50 0 JKAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)ccc1OCc1ccccc1 ZINC000009933452 195025316 /nfs/dbraw/zinc/02/53/16/195025316.db2.gz UHRNIJLAKBMBGU-AREMUKBSSA-N 1 1 458.602 5.145 50 0 JKAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)ccc1OCc1ccccc1 ZINC000009933457 195025380 /nfs/dbraw/zinc/02/53/80/195025380.db2.gz HFDOZWGTNPWQKV-MHZLTWQESA-N 1 1 470.613 5.071 50 0 JKAAMO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)CC2)cc1 ZINC000009933903 195026058 /nfs/dbraw/zinc/02/60/58/195026058.db2.gz IRDYHFBHSJZVGC-QFIPXVFZSA-N 1 1 494.941 5.344 50 0 JKAAMO Cc1ccc(N2CCN(c3c(C(=O)c4ccccc4)c[nH+]c4cc5c(cc43)OCCO5)CC2)c(C)c1 ZINC000009969423 195042696 /nfs/dbraw/zinc/04/26/96/195042696.db2.gz GIUNUEMQXODLQF-UHFFFAOYSA-N 1 1 479.580 5.180 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000012599063 195044423 /nfs/dbraw/zinc/04/44/23/195044423.db2.gz LSSNYKPAYFZJRD-MHZLTWQESA-N 1 1 485.584 5.063 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Oc3ccc4c5c3CCCN5CCC4)c2c1C ZINC000012641007 195070694 /nfs/dbraw/zinc/07/06/94/195070694.db2.gz CQYAFDDQDZYQON-UHFFFAOYSA-N 1 1 462.663 6.031 50 0 JKAAMO C[C@@H]([NH2+][C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012629056 195061132 /nfs/dbraw/zinc/06/11/32/195061132.db2.gz IDYLCVJGPIXJRR-OSPHWJPCSA-N 1 1 498.936 6.575 50 0 JKAAMO CCC[N@H+](CC1CC1)Cn1nc(COc2ccc(CC)cc2)n([C@H](C)CCCC(C)C)c1=S ZINC000012659700 195079584 /nfs/dbraw/zinc/07/95/84/195079584.db2.gz IEMSEXKIXMPXFZ-JOCHJYFZSA-N 1 1 472.743 7.022 50 0 JKAAMO CCC[N@@H+](CC1CC1)Cn1nc(COc2ccc(CC)cc2)n([C@H](C)CCCC(C)C)c1=S ZINC000012659700 195079588 /nfs/dbraw/zinc/07/95/88/195079588.db2.gz IEMSEXKIXMPXFZ-JOCHJYFZSA-N 1 1 472.743 7.022 50 0 JKAAMO c1c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)noc1-c1ccccc1 ZINC000012710129 195094530 /nfs/dbraw/zinc/09/45/30/195094530.db2.gz ZPJGEVASQOHOBP-UHFFFAOYSA-N 1 1 450.498 5.213 50 0 JKAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](CC(=O)N[C@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000012694543 195089615 /nfs/dbraw/zinc/08/96/15/195089615.db2.gz WWEQMKHAIVLBEG-RTWAWAEBSA-N 1 1 469.585 5.832 50 0 JKAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](CC(=O)N[C@H](C)c2cc3ccccc3o2)Cc2ccccc2)c1 ZINC000012694543 195089618 /nfs/dbraw/zinc/08/96/18/195089618.db2.gz WWEQMKHAIVLBEG-RTWAWAEBSA-N 1 1 469.585 5.832 50 0 JKAAMO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000012748869 195103973 /nfs/dbraw/zinc/10/39/73/195103973.db2.gz BJTDWZWGNMCPGP-HNNXBMFYSA-N 1 1 485.078 5.682 50 0 JKAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000012791017 195131913 /nfs/dbraw/zinc/13/19/13/195131913.db2.gz OHBYXTXBDBBAAY-DEOSSOPVSA-N 1 1 454.014 5.053 50 0 JKAAMO O=C(c1ccccc1COc1ccccc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012797194 195136808 /nfs/dbraw/zinc/13/68/08/195136808.db2.gz UQSLHSMNJWGMJN-UHFFFAOYSA-N 1 1 457.961 5.430 50 0 JKAAMO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000012798033 195137450 /nfs/dbraw/zinc/13/74/50/195137450.db2.gz MVZNUUABMXDQEI-UHFFFAOYSA-N 1 1 470.400 5.112 50 0 JKAAMO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000012798033 195137453 /nfs/dbraw/zinc/13/74/53/195137453.db2.gz MVZNUUABMXDQEI-UHFFFAOYSA-N 1 1 470.400 5.112 50 0 JKAAMO C[NH+](C)[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1Cl ZINC000012801599 195139623 /nfs/dbraw/zinc/13/96/23/195139623.db2.gz WEZPFTRPNMHLNG-ZEQRLZLVSA-N 1 1 484.427 5.274 50 0 JKAAMO Cc1cccc(-n2ncc3c2ncnc3N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000020646447 195195244 /nfs/dbraw/zinc/19/52/44/195195244.db2.gz IWBISZUUUPIDJS-HHHXNRCGSA-N 1 1 495.030 5.689 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735115 195212498 /nfs/dbraw/zinc/21/24/98/195212498.db2.gz SCGQAEBQQWHFEY-PZBNQXIHSA-N 1 1 456.011 5.030 50 0 JKAAMO CCC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)Cc1nnc(-c2ccco2)o1 ZINC000020689430 195205596 /nfs/dbraw/zinc/20/55/96/195205596.db2.gz OKCHRUKQGPSGQN-UHFFFAOYSA-N 1 1 469.545 5.603 50 0 JKAAMO CCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)Cc1nnc(-c2ccco2)o1 ZINC000020689430 195205599 /nfs/dbraw/zinc/20/55/99/195205599.db2.gz OKCHRUKQGPSGQN-UHFFFAOYSA-N 1 1 469.545 5.603 50 0 JKAAMO CC1=Nc2cc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(Cl)cc21 ZINC000020726964 195208175 /nfs/dbraw/zinc/20/81/75/195208175.db2.gz YAUYYGKWDDZFSQ-UHFFFAOYSA-N 1 1 492.088 6.976 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732127 195210837 /nfs/dbraw/zinc/21/08/37/195210837.db2.gz QUOGUIFMBKIKFE-DYIFSOBNSA-N 1 1 495.623 5.176 50 0 JKAAMO CCCC[N@@H+](CCC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020735015 195212102 /nfs/dbraw/zinc/21/21/02/195212102.db2.gz AOQHVGPCFWTGFH-JJIBRWJFSA-N 1 1 486.081 6.057 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734611 195212194 /nfs/dbraw/zinc/21/21/94/195212194.db2.gz SFKGIPDYIVKCBB-HAVVHWLPSA-N 1 1 455.599 5.153 50 0 JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCCCCOc3cccc4ccccc43)CC2)cc1 ZINC000020841537 195230105 /nfs/dbraw/zinc/23/01/05/195230105.db2.gz GTXLEQXLCSRJIY-UHFFFAOYSA-N 1 1 478.680 7.186 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000020779278 195224469 /nfs/dbraw/zinc/22/44/69/195224469.db2.gz WLHJNWYWBXJUEW-UHFFFAOYSA-N 1 1 479.696 6.524 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000020779278 195224472 /nfs/dbraw/zinc/22/44/72/195224472.db2.gz WLHJNWYWBXJUEW-UHFFFAOYSA-N 1 1 479.696 6.524 50 0 JKAAMO Cc1ccc(SCCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000020779377 195224691 /nfs/dbraw/zinc/22/46/91/195224691.db2.gz OXUJHUHOIBWGFL-UHFFFAOYSA-N 1 1 493.723 6.832 50 0 JKAAMO Cc1ccc(SCCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000020779377 195224693 /nfs/dbraw/zinc/22/46/93/195224693.db2.gz OXUJHUHOIBWGFL-UHFFFAOYSA-N 1 1 493.723 6.832 50 0 JKAAMO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020784030 195225048 /nfs/dbraw/zinc/22/50/48/195225048.db2.gz JMGNWAWVAOAAEZ-JOCHJYFZSA-N 1 1 456.540 6.172 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903407 195243337 /nfs/dbraw/zinc/24/33/37/195243337.db2.gz DFEIGPYKUBWJKA-DJUQAAIZSA-N 1 1 492.708 5.349 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@H]1c1cccs1 ZINC000020904418 195244549 /nfs/dbraw/zinc/24/45/49/195244549.db2.gz SYNPLCDQLKANTH-JWQCQUIFSA-N 1 1 467.679 5.066 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904447 195244662 /nfs/dbraw/zinc/24/46/62/195244662.db2.gz DHCHYCBEEYGKTM-OPXMRZJTSA-N 1 1 467.679 5.066 50 0 JKAAMO CCOc1cccc2cc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)oc21 ZINC000020886040 195236466 /nfs/dbraw/zinc/23/64/66/195236466.db2.gz JEARLQWPDQPIEG-UHFFFAOYSA-N 1 1 489.622 6.410 50 0 JKAAMO CCOc1cccc2cc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)oc21 ZINC000020886040 195236469 /nfs/dbraw/zinc/23/64/69/195236469.db2.gz JEARLQWPDQPIEG-UHFFFAOYSA-N 1 1 489.622 6.410 50 0 JKAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999849 195265717 /nfs/dbraw/zinc/26/57/17/195265717.db2.gz JIKNNSLLYDACMS-SANMLTNESA-N 1 1 473.665 5.087 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccccc3Cl)oc1C)[C@H]2c1ccccc1 ZINC000021045865 195271702 /nfs/dbraw/zinc/27/17/02/195271702.db2.gz UGJPOEOPNQSOTG-VWLOTQADSA-N 1 1 463.046 7.383 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)[C@@H]2c1ccccc1 ZINC000021045485 195271720 /nfs/dbraw/zinc/27/17/20/195271720.db2.gz LJSHHGJQDHOJQI-RUZDIDTESA-N 1 1 450.604 5.222 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)[C@@H]2c1ccccc1 ZINC000021045485 195271723 /nfs/dbraw/zinc/27/17/23/195271723.db2.gz LJSHHGJQDHOJQI-RUZDIDTESA-N 1 1 450.604 5.222 50 0 JKAAMO O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021191913 195291113 /nfs/dbraw/zinc/29/11/13/195291113.db2.gz KZNQKJNEPZYCIN-UHFFFAOYSA-N 1 1 496.611 5.749 50 0 JKAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021526068 195304881 /nfs/dbraw/zinc/30/48/81/195304881.db2.gz GAFAEVSIPHYJRN-HHHXNRCGSA-N 1 1 486.726 5.051 50 0 JKAAMO O=C(c1cccs1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796485 195322394 /nfs/dbraw/zinc/32/23/94/195322394.db2.gz LNSVQSUTYRZOBJ-UHFFFAOYSA-N 1 1 483.572 5.251 50 0 JKAAMO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796688 195322474 /nfs/dbraw/zinc/32/24/74/195322474.db2.gz ZYWLRPDSSKFOPU-UHFFFAOYSA-N 1 1 483.959 5.296 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC000021796720 195322542 /nfs/dbraw/zinc/32/25/42/195322542.db2.gz MSEHQVBFTXJPLK-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2)CC1 ZINC000021796610 195322616 /nfs/dbraw/zinc/32/26/16/195322616.db2.gz IXQFKMVTMIXCDA-UHFFFAOYSA-N 1 1 473.580 5.358 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000021796716 195322635 /nfs/dbraw/zinc/32/26/35/195322635.db2.gz XICFLDSSAGBREP-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2cccs2)CC1 ZINC000021796645 195322667 /nfs/dbraw/zinc/32/26/67/195322667.db2.gz ZJEBEUQTCTZPMR-UHFFFAOYSA-N 1 1 479.609 5.420 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021805848 195323486 /nfs/dbraw/zinc/32/34/86/195323486.db2.gz SHXSWENTFHYKTN-MUUNZHRXSA-N 1 1 461.569 6.337 50 0 JKAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915488 195332019 /nfs/dbraw/zinc/33/20/19/195332019.db2.gz RSVDXUBXXIFWEV-QHCPKHFHSA-N 1 1 496.655 5.084 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)Cc1ccccc1 ZINC000021935007 195336257 /nfs/dbraw/zinc/33/62/57/195336257.db2.gz BANQAJYPPZFKGY-UHFFFAOYSA-N 1 1 489.417 5.311 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000058135235 195365396 /nfs/dbraw/zinc/36/53/96/195365396.db2.gz MFIKCRZRPMGFFG-HNNXBMFYSA-N 1 1 472.372 5.544 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1sc2ccccc2c1Cl ZINC000059186152 195393851 /nfs/dbraw/zinc/39/38/51/195393851.db2.gz CKGYBWUDUYMQAC-UHFFFAOYSA-N 1 1 496.463 6.783 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247511 130002125 /nfs/dbraw/zinc/00/21/25/130002125.db2.gz AVHQZHQVZOMFAL-RPBOFIJWSA-N 1 1 495.038 5.761 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247513 130002528 /nfs/dbraw/zinc/00/25/28/130002528.db2.gz AVHQZHQVZOMFAL-JWQCQUIFSA-N 1 1 495.038 5.761 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(F)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275716 130012584 /nfs/dbraw/zinc/01/25/84/130012584.db2.gz QNVXTMRKPJSVBC-UHFFFAOYSA-N 1 1 498.602 5.167 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Oc3ccccc3)c2)CC1 ZINC000096276743 130015358 /nfs/dbraw/zinc/01/53/58/130015358.db2.gz YAUVMZUMWYJSGM-RUZDIDTESA-N 1 1 488.031 6.300 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)C2CCCCC2)CC1 ZINC000096276942 130015905 /nfs/dbraw/zinc/01/59/05/130015905.db2.gz LBTZWTSNEVKBGX-MUUNZHRXSA-N 1 1 487.688 5.916 50 0 JKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)CC(C)(C)C)CC4)n3c2)c1 ZINC000096287436 130030700 /nfs/dbraw/zinc/03/07/00/130030700.db2.gz AOLXPNGXIDZNOU-UHFFFAOYSA-N 1 1 494.683 6.366 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc2F)CC1 ZINC000096287567 130031303 /nfs/dbraw/zinc/03/13/03/130031303.db2.gz WVMBWQDQQWKSAK-AREMUKBSSA-N 1 1 487.594 5.654 50 0 JKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCCC5)CC4)n3c2)c1 ZINC000096288295 130031924 /nfs/dbraw/zinc/03/19/24/130031924.db2.gz IQCCWTAPZGTJIW-UHFFFAOYSA-N 1 1 478.640 5.811 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(Cl)nc2)CC1 ZINC000096290428 130039845 /nfs/dbraw/zinc/03/98/45/130039845.db2.gz CVCHBYXODONYRO-RUZDIDTESA-N 1 1 487.047 5.424 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)cc1 ZINC000002715042 518208702 /nfs/dbraw/zinc/20/87/02/518208702.db2.gz PSYYHHLTAWGIJK-UHFFFAOYSA-N 1 1 473.418 7.152 50 0 JKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1 ZINC000002714956 518353596 /nfs/dbraw/zinc/35/35/96/518353596.db2.gz YCXFYIBJIGOOOT-UHFFFAOYSA-N 1 1 487.607 5.925 50 0 aggregator JKAAMO C(=C/c1ccccc1)\C[C@H](/C=C/c1ccccc1)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000044831324 518371146 /nfs/dbraw/zinc/37/11/46/518371146.db2.gz FFKBIJDNNHKVGD-GNBJAHSTSA-N 1 1 484.687 7.579 50 0 in-vitro JKAAMO CC(C)(C)C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022647481 518566303 /nfs/dbraw/zinc/56/63/03/518566303.db2.gz QCIVYDPASJWEOJ-UHFFFAOYSA-N 1 1 463.449 5.680 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020463755 518592749 /nfs/dbraw/zinc/59/27/49/518592749.db2.gz GEQAKVQGBSMXMJ-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020463755 518592753 /nfs/dbraw/zinc/59/27/53/518592753.db2.gz GEQAKVQGBSMXMJ-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727080 518593263 /nfs/dbraw/zinc/59/32/63/518593263.db2.gz BRYMWRQCRUSLGF-WOZUAGRISA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727080 518593268 /nfs/dbraw/zinc/59/32/68/518593268.db2.gz BRYMWRQCRUSLGF-WOZUAGRISA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146392 518880439 /nfs/dbraw/zinc/88/04/39/518880439.db2.gz FXPCGERLWDQDSG-UXHICEINSA-N 1 1 483.411 5.304 50 0 JKAAMO CC(C)C[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447432 519285380 /nfs/dbraw/zinc/28/53/80/519285380.db2.gz HLDGSMNWTJGRFK-DHIUTWEWSA-N 1 1 466.847 5.452 50 0 JKAAMO C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2C(=O)[O-])cc1 ZINC000020379419 519318928 /nfs/dbraw/zinc/31/89/28/519318928.db2.gz XYMACVKTGPXMHF-UHFFFAOYSA-N 1 1 479.624 5.785 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369311 519643473 /nfs/dbraw/zinc/64/34/73/519643473.db2.gz QROUNHWYDMPUBO-JOCHJYFZSA-N 1 1 489.063 6.335 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307585 519653462 /nfs/dbraw/zinc/65/34/62/519653462.db2.gz NSVDZQKWQIXPHL-QFIPXVFZSA-N 1 1 469.601 5.405 50 0 JKAAMO CC(C)[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccs1 ZINC000036154641 519654776 /nfs/dbraw/zinc/65/47/76/519654776.db2.gz XLCICSDNBLXBLM-UHFFFAOYSA-N 1 1 453.554 6.314 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)Cc3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000022714521 519690284 /nfs/dbraw/zinc/69/02/84/519690284.db2.gz JFTPOLMRBHGUOL-UHFFFAOYSA-N 1 1 453.658 6.034 50 0 JKAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000033106318 519707881 /nfs/dbraw/zinc/70/78/81/519707881.db2.gz NHSAOTDGTTYBSL-UHFFFAOYSA-N 1 1 458.606 5.245 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036306669 519717632 /nfs/dbraw/zinc/71/76/32/519717632.db2.gz FWPGTGGVCTXSJF-JOCHJYFZSA-N 1 1 483.628 5.653 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036151091 519717665 /nfs/dbraw/zinc/71/76/65/519717665.db2.gz PAPKPJYXZMJHEM-SANMLTNESA-N 1 1 477.649 5.368 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036308052 519717842 /nfs/dbraw/zinc/71/78/42/519717842.db2.gz FKSPQEIFPLSDDL-HSZRJFAPSA-N 1 1 451.611 5.123 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307397 519717914 /nfs/dbraw/zinc/71/79/14/519717914.db2.gz DGBCGSCCSNJUHW-HSZRJFAPSA-N 1 1 483.628 5.653 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307376 519717953 /nfs/dbraw/zinc/71/79/53/519717953.db2.gz KZKWVNBHGDDOKI-SANMLTNESA-N 1 1 487.619 6.080 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000036151083 519718002 /nfs/dbraw/zinc/71/80/02/519718002.db2.gz YOWXVSDFMLEPGX-DEOSSOPVSA-N 1 1 463.622 5.230 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268810 519718086 /nfs/dbraw/zinc/71/80/86/519718086.db2.gz SGQSUCAUZDJLKK-UHFFFAOYSA-N 1 1 455.986 5.874 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069036 519718113 /nfs/dbraw/zinc/71/81/13/519718113.db2.gz IQDGDSBCIFDTCS-UHFFFAOYSA-N 1 1 463.622 6.344 50 0 JKAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207587 519718614 /nfs/dbraw/zinc/71/86/14/519718614.db2.gz GTVRNIVDGYZTED-SFHVURJKSA-N 1 1 498.048 5.203 50 0 JKAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207587 519718616 /nfs/dbraw/zinc/71/86/16/519718616.db2.gz GTVRNIVDGYZTED-SFHVURJKSA-N 1 1 498.048 5.203 50 0 JKAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207916 519718686 /nfs/dbraw/zinc/71/86/86/519718686.db2.gz SUTNACWFVSRWPV-HXUWFJFHSA-N 1 1 498.048 5.203 50 0 JKAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207916 519718687 /nfs/dbraw/zinc/71/86/87/519718687.db2.gz SUTNACWFVSRWPV-HXUWFJFHSA-N 1 1 498.048 5.203 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306645 519755607 /nfs/dbraw/zinc/75/56/07/519755607.db2.gz WUTYYAWMMNZVOP-QHCPKHFHSA-N 1 1 483.628 5.510 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305134 519755733 /nfs/dbraw/zinc/75/57/33/519755733.db2.gz LRRGIHOIBAUUGH-QHCPKHFHSA-N 1 1 484.040 5.531 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146079 519757358 /nfs/dbraw/zinc/75/73/58/519757358.db2.gz UKEDXPVJNPBQBJ-RTWAWAEBSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307044 519757399 /nfs/dbraw/zinc/75/73/99/519757399.db2.gz JEZLNIBJCJDWCO-HSZRJFAPSA-N 1 1 469.601 5.262 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306647 519757695 /nfs/dbraw/zinc/75/76/95/519757695.db2.gz WUTYYAWMMNZVOP-HSZRJFAPSA-N 1 1 483.628 5.510 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036307989 519757717 /nfs/dbraw/zinc/75/77/17/519757717.db2.gz LFEYMYPNLKFBSB-RUZDIDTESA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036307989 519757719 /nfs/dbraw/zinc/75/77/19/519757719.db2.gz LFEYMYPNLKFBSB-RUZDIDTESA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307484 519773817 /nfs/dbraw/zinc/77/38/17/519773817.db2.gz KEQSZZMPWMEUSX-HSZRJFAPSA-N 1 1 493.579 5.400 50 0 JKAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307484 519773818 /nfs/dbraw/zinc/77/38/18/519773818.db2.gz KEQSZZMPWMEUSX-HSZRJFAPSA-N 1 1 493.579 5.400 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307277 519773879 /nfs/dbraw/zinc/77/38/79/519773879.db2.gz OAGCIGIWWIHMEA-HSZRJFAPSA-N 1 1 467.585 5.016 50 0 JKAAMO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000036067305 519798224 /nfs/dbraw/zinc/79/82/24/519798224.db2.gz ZWUOJRFJVADCIJ-JCQUQYSESA-N 1 1 493.736 5.290 50 0 JKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069139 519812025 /nfs/dbraw/zinc/81/20/25/519812025.db2.gz CGBWTTXLGLJCBR-SFHVURJKSA-N 1 1 459.512 5.670 50 0 JKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069139 519812026 /nfs/dbraw/zinc/81/20/26/519812026.db2.gz CGBWTTXLGLJCBR-SFHVURJKSA-N 1 1 459.512 5.670 50 0 JKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069119 519812075 /nfs/dbraw/zinc/81/20/75/519812075.db2.gz FAKVWZQVZWRPTM-KRWDZBQOSA-N 1 1 460.500 5.065 50 0 JKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069119 519812076 /nfs/dbraw/zinc/81/20/76/519812076.db2.gz FAKVWZQVZWRPTM-KRWDZBQOSA-N 1 1 460.500 5.065 50 0 JKAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)C1 ZINC000020358337 519864127 /nfs/dbraw/zinc/86/41/27/519864127.db2.gz JKFIANCNCYWSAT-UHFFFAOYSA-N 1 1 452.634 5.009 50 0 JKAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)C1 ZINC000020358337 519864129 /nfs/dbraw/zinc/86/41/29/519864129.db2.gz JKFIANCNCYWSAT-UHFFFAOYSA-N 1 1 452.634 5.009 50 0 JKAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304932 519880588 /nfs/dbraw/zinc/88/05/88/519880588.db2.gz FUACBYCEQYVUGZ-VWLOTQADSA-N 1 1 491.632 5.198 50 0 JKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036307996 519882001 /nfs/dbraw/zinc/88/20/01/519882001.db2.gz FMGRFXGVMYBTLU-DEOSSOPVSA-N 1 1 495.639 6.068 50 0 JKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036307996 519882004 /nfs/dbraw/zinc/88/20/04/519882004.db2.gz FMGRFXGVMYBTLU-DEOSSOPVSA-N 1 1 495.639 6.068 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303728 520095739 /nfs/dbraw/zinc/09/57/39/520095739.db2.gz PYMSRZDFDYFXKN-QFIPXVFZSA-N 1 1 458.002 5.234 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307919 520096174 /nfs/dbraw/zinc/09/61/74/520096174.db2.gz XQUKAIGRMYHCMQ-QFIPXVFZSA-N 1 1 467.585 5.289 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307919 520096182 /nfs/dbraw/zinc/09/61/82/520096182.db2.gz XQUKAIGRMYHCMQ-QFIPXVFZSA-N 1 1 467.585 5.289 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303998 520096227 /nfs/dbraw/zinc/09/62/27/520096227.db2.gz ZWDLSGGYLUFVHU-QFIPXVFZSA-N 1 1 473.564 5.107 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301852 520154747 /nfs/dbraw/zinc/15/47/47/520154747.db2.gz WFUGHZQTFPLNPP-HSZRJFAPSA-N 1 1 470.013 5.236 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036308014 520155674 /nfs/dbraw/zinc/15/56/74/520155674.db2.gz BKRUBEKRBQMEHZ-HSZRJFAPSA-N 1 1 467.585 5.289 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036308014 520155679 /nfs/dbraw/zinc/15/56/79/520155679.db2.gz BKRUBEKRBQMEHZ-HSZRJFAPSA-N 1 1 467.585 5.289 50 0 JKAAMO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cc(CC(C)C)n[nH]2)CC1 ZINC000012299893 520465608 /nfs/dbraw/zinc/46/56/08/520465608.db2.gz MAVDXYGLAMNXBJ-UHFFFAOYSA-N 1 1 451.533 5.015 50 0 JKAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)C1 ZINC000014987449 520527011 /nfs/dbraw/zinc/52/70/11/520527011.db2.gz MEZULPLBELSAAT-XMMPIXPASA-N 1 1 490.692 5.105 50 0 JKAAMO CCOc1cc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc(OCC)c1OCC ZINC000012411418 520657865 /nfs/dbraw/zinc/65/78/65/520657865.db2.gz HCMRMLOKADGMTH-UHFFFAOYSA-N 1 1 483.996 5.047 50 0 JKAAMO CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000016286019 520773019 /nfs/dbraw/zinc/77/30/19/520773019.db2.gz FENXSKXDZZZORV-UHFFFAOYSA-N 1 1 494.035 5.712 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305687 520797199 /nfs/dbraw/zinc/79/71/99/520797199.db2.gz UIMSMSAPPFZVCZ-JOCHJYFZSA-N 1 1 451.611 5.507 50 0 JKAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307840 520798853 /nfs/dbraw/zinc/79/88/53/520798853.db2.gz MKDVHWGPUKFTNG-JOCHJYFZSA-N 1 1 469.601 5.537 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307840 520798862 /nfs/dbraw/zinc/79/88/62/520798862.db2.gz MKDVHWGPUKFTNG-JOCHJYFZSA-N 1 1 469.601 5.537 50 0 JKAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036208286 520935279 /nfs/dbraw/zinc/93/52/79/520935279.db2.gz FJEGIAMUGDLRHG-HSZRJFAPSA-N 1 1 451.611 5.086 50 0 JKAAMO CCC[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 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MXBYEVPSMNOXBW-VWLOTQADSA-N 1 1 473.598 6.386 50 0 JKAAMO Cc1cccc([C@H]2CCC[N@H+](C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1 ZINC000014881758 524887846 /nfs/dbraw/zinc/88/78/46/524887846.db2.gz JQIXPBKIRGSKMY-MHZLTWQESA-N 1 1 468.645 5.168 50 0 JKAAMO Cc1cccc2[nH]c3c(ncnc3N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c21 ZINC000020443082 524916356 /nfs/dbraw/zinc/91/63/56/524916356.db2.gz WNISFQDJFGZNFE-HHHXNRCGSA-N 1 1 468.004 5.985 50 0 JKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000016712748 524965321 /nfs/dbraw/zinc/96/53/21/524965321.db2.gz NZMNBEJMZDCQGQ-JOCHJYFZSA-N 1 1 477.587 6.250 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)Cc3ccccc3)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304485 524988818 /nfs/dbraw/zinc/98/88/18/524988818.db2.gz FPLLPNNEDIOGTQ-SANMLTNESA-N 1 1 483.612 5.550 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304641 524989103 /nfs/dbraw/zinc/98/91/03/524989103.db2.gz OAPPLRFJVWIXOO-DEOSSOPVSA-N 1 1 493.648 5.370 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305949 524989371 /nfs/dbraw/zinc/98/93/71/524989371.db2.gz OGPYMBGMTWYCTG-DEOSSOPVSA-N 1 1 495.664 5.380 50 0 JKAAMO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304503 524989460 /nfs/dbraw/zinc/98/94/60/524989460.db2.gz MRRMZOVNDDETKP-QHCPKHFHSA-N 1 1 479.621 5.122 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304503 524989477 /nfs/dbraw/zinc/98/94/77/524989477.db2.gz MRRMZOVNDDETKP-QHCPKHFHSA-N 1 1 479.621 5.122 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)c3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304604 524989710 /nfs/dbraw/zinc/98/97/10/524989710.db2.gz OIYKFPZPIRWDRY-GDLZYMKVSA-N 1 1 483.612 5.927 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302369 524989893 /nfs/dbraw/zinc/98/98/93/524989893.db2.gz FBSSMTCRPZUDIX-RUZDIDTESA-N 1 1 495.664 5.473 50 0 JKAAMO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304507 524990019 /nfs/dbraw/zinc/99/00/19/524990019.db2.gz MRRMZOVNDDETKP-HSZRJFAPSA-N 1 1 479.621 5.122 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304507 524990027 /nfs/dbraw/zinc/99/00/27/524990027.db2.gz MRRMZOVNDDETKP-HSZRJFAPSA-N 1 1 479.621 5.122 50 0 JKAAMO Cc1ccccc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C(C)C ZINC000036203265 525130470 /nfs/dbraw/zinc/13/04/70/525130470.db2.gz QHUZMZOGHDXPBJ-UHFFFAOYSA-N 1 1 461.552 6.561 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146595 525308158 /nfs/dbraw/zinc/30/81/58/525308158.db2.gz OUPYRAFXYKMKCL-GOTSBHOMSA-N 1 1 499.438 5.737 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146692 525311508 /nfs/dbraw/zinc/31/15/08/525311508.db2.gz RHACFTACZGPOCZ-RPBOFIJWSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146692 525311515 /nfs/dbraw/zinc/31/15/15/525311515.db2.gz RHACFTACZGPOCZ-RPBOFIJWSA-N 1 1 482.983 5.223 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000035485016 525380997 /nfs/dbraw/zinc/38/09/97/525380997.db2.gz UZYZRISMGTUDCJ-AWLIVGBKSA-N 1 1 457.699 5.878 50 0 biogenic JKAAMO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182472 525385591 /nfs/dbraw/zinc/38/55/91/525385591.db2.gz LKOFQHKTBSYWAR-HXOBKFHXSA-N 1 1 489.085 5.779 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002915321 525396057 /nfs/dbraw/zinc/39/60/57/525396057.db2.gz WPRKXLFREZGFBX-ZEQRLZLVSA-N 1 1 477.351 5.806 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805789 525430000 /nfs/dbraw/zinc/43/00/00/525430000.db2.gz KUFDVCYWNKJABR-HHHXNRCGSA-N 1 1 465.532 6.168 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805751 525431358 /nfs/dbraw/zinc/43/13/58/525431358.db2.gz NWRNYLONYWLAGO-HHHXNRCGSA-N 1 1 465.532 6.168 50 0 JKAAMO Cc1cc([C@@H](c2ccc(Br)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546424 525482979 /nfs/dbraw/zinc/48/29/79/525482979.db2.gz IDDNKFVMQDETSL-HXUWFJFHSA-N 1 1 474.424 5.001 50 0 JKAAMO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000036056943 525493064 /nfs/dbraw/zinc/49/30/64/525493064.db2.gz GJAYETZNERUDBM-HFZDXXHNSA-N 1 1 477.674 5.506 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c1 ZINC000035476880 525698896 /nfs/dbraw/zinc/69/88/96/525698896.db2.gz XFTQXQRXVMXDKN-DEOSSOPVSA-N 1 1 459.640 6.846 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)NCc4ccccc4)ccc3[nH+]2)cc1 ZINC000033292780 525733104 /nfs/dbraw/zinc/73/31/04/525733104.db2.gz CXRLLRWFNUUQKQ-UHFFFAOYSA-N 1 1 452.558 5.369 50 0 JKAAMO Cc1ccc(-c2cccc3c(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc(C)nc23)cc1 ZINC000033036964 525756354 /nfs/dbraw/zinc/75/63/54/525756354.db2.gz QVRPHIMPPXPKIP-UHFFFAOYSA-N 1 1 496.630 5.600 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)cc2C)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456301 525821342 /nfs/dbraw/zinc/82/13/42/525821342.db2.gz PTPDJLNQJHDSJV-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)cc2C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456301 525821356 /nfs/dbraw/zinc/82/13/56/525821356.db2.gz PTPDJLNQJHDSJV-UHFFFAOYSA-N 1 1 492.623 5.033 50 0 JKAAMO COc1cccc(C(=O)Nc2ccc3[nH+]c(-c4ccc(C)cc4)cc(N4CCOCC4)c3c2)c1 ZINC000033310109 525834218 /nfs/dbraw/zinc/83/42/18/525834218.db2.gz QXAUMJMTCBESFB-UHFFFAOYSA-N 1 1 453.542 5.308 50 0 JKAAMO Cc1ccsc1C[N@@H+](CCc1c[nH]c2ccccc12)Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1 ZINC000036073604 525840797 /nfs/dbraw/zinc/84/07/97/525840797.db2.gz PKUPAJUOKSTYEE-OAQYLSRUSA-N 1 1 498.652 6.262 50 0 JKAAMO Cc1ccsc1C[N@H+](CCc1c[nH]c2ccccc12)Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1 ZINC000036073604 525840808 /nfs/dbraw/zinc/84/08/08/525840808.db2.gz PKUPAJUOKSTYEE-OAQYLSRUSA-N 1 1 498.652 6.262 50 0 JKAAMO Cc1cc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014857337 526037505 /nfs/dbraw/zinc/03/75/05/526037505.db2.gz GTKYIAXQBXSQQS-UHFFFAOYSA-N 1 1 487.673 5.706 50 0 JKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002061084 526045396 /nfs/dbraw/zinc/04/53/96/526045396.db2.gz TYMUUWSYBHKOKX-BJKOFHAPSA-N 1 1 461.352 6.106 50 0 JKAAMO Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000036312111 526075373 /nfs/dbraw/zinc/07/53/73/526075373.db2.gz YGCOCVQCBZNWRW-UHFFFAOYSA-N 1 1 498.602 5.384 50 0 JKAAMO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@@H+](C)Cc3cccs3)cc2)cc1 ZINC000014989751 526093092 /nfs/dbraw/zinc/09/30/92/526093092.db2.gz LNQVYSINXXADOT-VWLOTQADSA-N 1 1 462.659 6.152 50 0 JKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)CC1 ZINC000016617591 526094198 /nfs/dbraw/zinc/09/41/98/526094198.db2.gz JJIZZIQWRIDMOC-INIZCTEOSA-N 1 1 499.061 5.602 50 0 JKAAMO Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452574 526179115 /nfs/dbraw/zinc/17/91/15/526179115.db2.gz YQEOUMUPSZTUCI-IBGZPJMESA-N 1 1 464.606 5.682 50 0 JKAAMO Cc1cc(C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)n(C)n1 ZINC000012244230 526239681 /nfs/dbraw/zinc/23/96/81/526239681.db2.gz MGIFWGXHYVWJKN-UHFFFAOYSA-N 1 1 488.657 5.259 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864585 526246049 /nfs/dbraw/zinc/24/60/49/526246049.db2.gz BHYDECZKMVPXTJ-ZTOMLWHTSA-N 1 1 494.680 5.066 50 0 JKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206526 526256275 /nfs/dbraw/zinc/25/62/75/526256275.db2.gz MEVVNMZLQIEJJU-JOCHJYFZSA-N 1 1 497.705 5.437 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146067 526285850 /nfs/dbraw/zinc/28/58/50/526285850.db2.gz LQMVFZQJIHTYFU-ZEQRLZLVSA-N 1 1 499.438 5.566 50 0 JKAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)c1sc2ncccc2c1-n1cccc1 ZINC000033059885 526295544 /nfs/dbraw/zinc/29/55/44/526295544.db2.gz OERZMYRCYVCQKT-UHFFFAOYSA-N 1 1 470.598 5.155 50 0 JKAAMO O=C([O-])c1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000020379495 526339698 /nfs/dbraw/zinc/33/96/98/526339698.db2.gz PPMWQWYJSUJEFT-UHFFFAOYSA-N 1 1 488.031 5.795 50 0 JKAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1Cl)N1NC=NC1=[NH+]2 ZINC000002917746 526418100 /nfs/dbraw/zinc/41/81/00/526418100.db2.gz BFKUCNASYCGWFY-XZOQPEGZSA-N 1 1 465.315 5.937 50 0 JKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014745138 526425922 /nfs/dbraw/zinc/42/59/22/526425922.db2.gz PLYXZUKIKCZOSS-LITSAYRRSA-N 1 1 496.626 5.855 50 0 JKAAMO c1sc2ncnc(N(CCC[NH+]3CCOCC3)Cc3cccc4ccccc43)c2c1-c1ccccc1 ZINC000013811572 526634990 /nfs/dbraw/zinc/63/49/90/526634990.db2.gz JNVOSIHTIRRAAK-UHFFFAOYSA-N 1 1 494.664 6.240 50 0 JKAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccc(Cl)c1 ZINC000033069194 526649678 /nfs/dbraw/zinc/64/96/78/526649678.db2.gz OUEALOWPORZIRR-UHFFFAOYSA-N 1 1 457.361 5.237 50 0 JKAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccc(Cl)c1 ZINC000033069194 526649684 /nfs/dbraw/zinc/64/96/84/526649684.db2.gz OUEALOWPORZIRR-UHFFFAOYSA-N 1 1 457.361 5.237 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000008597879 526734011 /nfs/dbraw/zinc/73/40/11/526734011.db2.gz YHFMHOLLOBBGQA-QFIPXVFZSA-N 1 1 451.998 5.183 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597866 526734331 /nfs/dbraw/zinc/73/43/31/526734331.db2.gz VXBAEEYLXOPFII-LJQANCHMSA-N 1 1 458.389 5.485 50 0 JKAAMO O=C(C[NH+]1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 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Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000002714351 554300062 /nfs/dbraw/zinc/30/00/62/554300062.db2.gz YFKBQDMZLICYIE-UHFFFAOYSA-N 1 1 473.624 6.339 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000002714402 554300068 /nfs/dbraw/zinc/30/00/68/554300068.db2.gz RREPWUVDASTINA-UHFFFAOYSA-N 1 1 480.015 6.376 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000002714284 554300078 /nfs/dbraw/zinc/30/00/78/554300078.db2.gz OYVMUUUKXBIYGD-UHFFFAOYSA-N 1 1 473.624 6.339 50 0 JKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002714525 554300311 /nfs/dbraw/zinc/30/03/11/554300311.db2.gz SBPPLWHXIFMAOL-UHFFFAOYSA-N 1 1 485.385 6.471 50 0 JKAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C[C@H](C)O1 ZINC000002714503 554300476 /nfs/dbraw/zinc/30/04/76/554300476.db2.gz HNMRMARKQQNNSH-IRXDYDNUSA-N 1 1 463.379 5.464 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000002715060 554300684 /nfs/dbraw/zinc/30/06/84/554300684.db2.gz DBNAMOSQIVBRIK-UHFFFAOYSA-N 1 1 455.359 6.462 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1Cl ZINC000002714899 554300721 /nfs/dbraw/zinc/30/07/21/554300721.db2.gz MAHCRCVTHRAKSG-UHFFFAOYSA-N 1 1 480.015 6.376 50 0 JKAAMO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726059 554312373 /nfs/dbraw/zinc/31/23/73/554312373.db2.gz PWNYCOABIHULHH-SFHVURJKSA-N 1 1 497.974 5.683 50 0 JKAAMO O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002734916 554318890 /nfs/dbraw/zinc/31/88/90/554318890.db2.gz PPWMVZLWOMZRIF-QHCPKHFHSA-N 1 1 455.440 5.142 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000003242103 554435946 /nfs/dbraw/zinc/43/59/46/554435946.db2.gz IKEPIUNMNPFVMF-DHLKQENFSA-N 1 1 469.610 5.485 50 0 JKAAMO COc1cc2c(cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1)oc1ccccc12 ZINC000003384519 554461304 /nfs/dbraw/zinc/46/13/04/554461304.db2.gz GXPISAUXUPGIFX-HNNXBMFYSA-N 1 1 454.473 5.655 50 0 JKAAMO COc1cc2c(cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1)oc1ccccc12 ZINC000003384519 554461309 /nfs/dbraw/zinc/46/13/09/554461309.db2.gz GXPISAUXUPGIFX-HNNXBMFYSA-N 1 1 454.473 5.655 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000007059976 554563418 /nfs/dbraw/zinc/56/34/18/554563418.db2.gz LOEIAEPMGGHYQY-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000007059984 554563430 /nfs/dbraw/zinc/56/34/30/554563430.db2.gz LOEIAEPMGGHYQY-DQEYMECFSA-N 1 1 472.932 5.161 50 0 JKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+](C)C)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000008396654 554571448 /nfs/dbraw/zinc/57/14/48/554571448.db2.gz FMMXHPOPUZLYIL-INIZCTEOSA-N 1 1 457.640 5.050 50 0 JKAAMO COc1cc(CNc2ccc([NH+]3CCCCC3)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008442397 554592088 /nfs/dbraw/zinc/59/20/88/554592088.db2.gz LOBCVZJVEDHDHM-UHFFFAOYSA-N 1 1 499.424 6.778 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1cccc(Br)c1 ZINC000008456313 554600450 /nfs/dbraw/zinc/60/04/50/554600450.db2.gz VCPJOSLAPPPDGI-SIKLNZKXSA-N 1 1 471.395 5.123 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000008583226 554601026 /nfs/dbraw/zinc/60/10/26/554601026.db2.gz LRBROXMJIZREQI-GOSISDBHSA-N 1 1 454.039 6.034 50 0 JKAAMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000008789233 554681583 /nfs/dbraw/zinc/68/15/83/554681583.db2.gz GIIVITVBAYMKJG-IWIWXMQLSA-N 1 1 457.699 6.022 50 0 biogenic JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812690 554694158 /nfs/dbraw/zinc/69/41/58/554694158.db2.gz XJTSLYFEBRLNCE-FQEVSTJZSA-N 1 1 468.066 6.424 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)C1 ZINC000008812681 554694166 /nfs/dbraw/zinc/69/41/66/554694166.db2.gz CKHBGZSTFDPBFD-KDURUIRLSA-N 1 1 468.066 6.137 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812687 554694172 /nfs/dbraw/zinc/69/41/72/554694172.db2.gz XJTSLYFEBRLNCE-HXUWFJFHSA-N 1 1 468.066 6.424 50 0 JKAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000008830878 554720547 /nfs/dbraw/zinc/72/05/47/554720547.db2.gz RICLDYKZXVMKKE-UHFFFAOYSA-N 1 1 455.961 5.013 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911872 554801201 /nfs/dbraw/zinc/80/12/01/554801201.db2.gz CILFLTMCNNWMSU-VWLOTQADSA-N 1 1 499.684 5.294 50 0 JKAAMO Cc1c(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000008912094 554801930 /nfs/dbraw/zinc/80/19/30/554801930.db2.gz QTJSTJWVVPXYCA-SVFBPWRDSA-N 1 1 468.638 5.643 50 0 biogenic JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918646 554815484 /nfs/dbraw/zinc/81/54/84/554815484.db2.gz OMJDTVYJYGLVRT-TZIWHRDSSA-N 1 1 495.733 6.527 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918646 554815485 /nfs/dbraw/zinc/81/54/85/554815485.db2.gz OMJDTVYJYGLVRT-TZIWHRDSSA-N 1 1 495.733 6.527 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923411 554820660 /nfs/dbraw/zinc/82/06/60/554820660.db2.gz ACPAXFXCAQQBHA-QFIPXVFZSA-N 1 1 497.642 5.623 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008927611 554824929 /nfs/dbraw/zinc/82/49/29/554824929.db2.gz ZLVGSVVHGQEJHR-HXUWFJFHSA-N 1 1 461.509 6.222 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccccc1 ZINC000008927659 554825144 /nfs/dbraw/zinc/82/51/44/554825144.db2.gz GEIROIAFWSNOND-QHCPKHFHSA-N 1 1 477.586 5.173 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008927647 554825155 /nfs/dbraw/zinc/82/51/55/554825155.db2.gz JCQVZUKKULENAM-IBGZPJMESA-N 1 1 458.381 5.578 50 0 JKAAMO O=C(Cc1cccc2ccccc21)N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033803 554867943 /nfs/dbraw/zinc/86/79/43/554867943.db2.gz QEHNLADBQYXELH-WPYKKVEZSA-N 1 1 483.867 5.476 50 0 biogenic JKAAMO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000009071310 554886280 /nfs/dbraw/zinc/88/62/80/554886280.db2.gz IQWDZXKZGAIZNS-SCJYWPNLSA-N 1 1 483.737 6.578 50 0 JKAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009125472 554917975 /nfs/dbraw/zinc/91/79/75/554917975.db2.gz CJFDJUUWKFNAGL-UHFFFAOYSA-N 1 1 470.598 5.367 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1 ZINC000009151117 554937083 /nfs/dbraw/zinc/93/70/83/554937083.db2.gz OMMUQGJIEOBOSE-UHFFFAOYSA-N 1 1 459.413 5.001 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1 ZINC000009151115 554937180 /nfs/dbraw/zinc/93/71/80/554937180.db2.gz HVMUEDUCSSIVGM-UHFFFAOYSA-N 1 1 459.413 5.001 50 0 JKAAMO Cn1c2ccccc2[nH+]c1NCc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000009186670 554959089 /nfs/dbraw/zinc/95/90/89/554959089.db2.gz UJOQEKXRZATIMQ-GDLZYMKVSA-N 1 1 457.581 6.541 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000009186784 554959108 /nfs/dbraw/zinc/95/91/08/554959108.db2.gz RXLGJHRPYZIAAS-MQNAVGNWSA-N 1 1 465.634 5.590 50 0 biogenic JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2)cc1OC ZINC000009187228 554959548 /nfs/dbraw/zinc/95/95/48/554959548.db2.gz TUYWECAZZNMONE-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2Cc4ccccc4C[N@H+]2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009191523 554963951 /nfs/dbraw/zinc/96/39/51/554963951.db2.gz IHCCNYSQNVISOB-ZYQDXHPFSA-N 1 1 487.397 5.045 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)nc1COc1ccccc1 ZINC000009211860 554981687 /nfs/dbraw/zinc/98/16/87/554981687.db2.gz BZPXBSCBZIUUCB-UHFFFAOYSA-N 1 1 481.596 5.407 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280838 555049464 /nfs/dbraw/zinc/04/94/64/555049464.db2.gz SBYSBUXPPSFTJO-QKZGOTKPSA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280838 555049466 /nfs/dbraw/zinc/04/94/66/555049466.db2.gz SBYSBUXPPSFTJO-QKZGOTKPSA-N 1 1 474.601 5.164 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000009288164 555061739 /nfs/dbraw/zinc/06/17/39/555061739.db2.gz ASGZCQXXTGFITJ-HDICACEKSA-N 1 1 456.055 6.355 50 0 JKAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+](C)C1CCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288297 555061945 /nfs/dbraw/zinc/06/19/45/555061945.db2.gz VTNKZGHISHJYNH-UHFFFAOYSA-N 1 1 470.082 6.665 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000009288633 555062458 /nfs/dbraw/zinc/06/24/58/555062458.db2.gz WKWDVMVZCOUIBD-HDICACEKSA-N 1 1 486.081 6.079 50 0 JKAAMO CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009344403 555109621 /nfs/dbraw/zinc/10/96/21/555109621.db2.gz NJJKQFBRHBCMHH-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345200 555110903 /nfs/dbraw/zinc/11/09/03/555110903.db2.gz JJGBWEFTVBXQRK-NSOVKSMOSA-N 1 1 480.568 5.631 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2)cc1OC ZINC000009345745 555112153 /nfs/dbraw/zinc/11/21/53/555112153.db2.gz CDOZLJFKSMXDKR-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345921 555112597 /nfs/dbraw/zinc/11/25/97/555112597.db2.gz YRVWQWKRUAXJQE-DQEYMECFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000009346218 555113088 /nfs/dbraw/zinc/11/30/88/555113088.db2.gz QNQSDXXYXGBZTC-JWQCQUIFSA-N 1 1 490.922 5.301 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)C1CCCCC1 ZINC000009406593 555167130 /nfs/dbraw/zinc/16/71/30/555167130.db2.gz VFLZFPMIWBONPT-IBGZPJMESA-N 1 1 492.664 6.518 50 0 JKAAMO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406639 555167134 /nfs/dbraw/zinc/16/71/34/555167134.db2.gz JUBVRIFMNPOUAC-BGYRXZFFSA-N 1 1 490.673 5.998 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)C1CCCCC1 ZINC000009406592 555167219 /nfs/dbraw/zinc/16/72/19/555167219.db2.gz VFLZFPMIWBONPT-LJQANCHMSA-N 1 1 492.664 6.518 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407783 555169459 /nfs/dbraw/zinc/16/94/59/555169459.db2.gz GKKYDGJWZPAXLZ-OAHLLOKOSA-N 1 1 461.052 6.298 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)cc21 ZINC000009408670 555171550 /nfs/dbraw/zinc/17/15/50/555171550.db2.gz MOZSSRGUUHHHPQ-MUUNZHRXSA-N 1 1 494.635 5.979 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CC=C(c4ccccc4)CC3)cc21 ZINC000009408670 555171551 /nfs/dbraw/zinc/17/15/51/555171551.db2.gz MOZSSRGUUHHHPQ-MUUNZHRXSA-N 1 1 494.635 5.979 50 0 JKAAMO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+](Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1 ZINC000009408715 555171637 /nfs/dbraw/zinc/17/16/37/555171637.db2.gz HIGLTMVUBURYRQ-DEOSSOPVSA-N 1 1 459.011 5.397 50 0 JKAAMO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1 ZINC000009408715 555171639 /nfs/dbraw/zinc/17/16/39/555171639.db2.gz HIGLTMVUBURYRQ-DEOSSOPVSA-N 1 1 459.011 5.397 50 0 JKAAMO c1cn(CCCNc2[nH+]cnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccccc2)cn1 ZINC000009455766 555226007 /nfs/dbraw/zinc/22/60/07/555226007.db2.gz GXTFTCFODYBQOF-UHFFFAOYSA-N 1 1 484.607 6.512 50 0 JKAAMO CCOc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc(OCC)c1OCC ZINC000009457179 555226471 /nfs/dbraw/zinc/22/64/71/555226471.db2.gz DCYHZSRSIUSGGI-UHFFFAOYSA-N 1 1 494.554 5.250 50 0 JKAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000009461946 555230352 /nfs/dbraw/zinc/23/03/52/555230352.db2.gz QPGHMVXRZVMMBU-DHIUTWEWSA-N 1 1 475.321 5.392 50 0 JKAAMO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000009475212 555257423 /nfs/dbraw/zinc/25/74/23/555257423.db2.gz KLRZCIQFACTUKD-UHFFFAOYSA-N 1 1 475.980 5.774 50 0 JKAAMO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000009531051 555325667 /nfs/dbraw/zinc/32/56/67/555325667.db2.gz ZPJTXWORQCVDES-JOCHJYFZSA-N 1 1 453.590 5.172 50 0 JKAAMO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000009531146 555325851 /nfs/dbraw/zinc/32/58/51/555325851.db2.gz LJPOMNYNHYZZON-NRFANRHFSA-N 1 1 488.035 5.826 50 0 JKAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000009531150 555325908 /nfs/dbraw/zinc/32/59/08/555325908.db2.gz LLSYAWWRIDBSMX-UHFFFAOYSA-N 1 1 461.953 5.019 50 0 JKAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)CC1 ZINC000009531138 555325956 /nfs/dbraw/zinc/32/59/56/555325956.db2.gz YSFBGEGMMOHZHY-UHFFFAOYSA-N 1 1 475.980 5.328 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000009531744 555326485 /nfs/dbraw/zinc/32/64/85/555326485.db2.gz IXWYDMQNVRFVIN-XMMPIXPASA-N 1 1 473.624 6.419 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009531749 555326589 /nfs/dbraw/zinc/32/65/89/555326589.db2.gz XOKVARBZRNJBDO-UHFFFAOYSA-N 1 1 488.635 6.945 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000009546377 555341606 /nfs/dbraw/zinc/34/16/06/555341606.db2.gz AVGCMNHQXXPVAG-KDURUIRLSA-N 1 1 451.611 5.623 50 0 JKAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+]3CCCC[C@@H]3C)cc21 ZINC000009546581 555342310 /nfs/dbraw/zinc/34/23/10/555342310.db2.gz MTJUAQXHZQBOCH-REWPJTCUSA-N 1 1 464.606 5.038 50 0 JKAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@@H+]4CCC[C@H]4c4cccs4)c3)[nH]c(=O)c2c1C ZINC000009645041 555357713 /nfs/dbraw/zinc/35/77/13/555357713.db2.gz MKXNCQIDMWFGLA-SFHVURJKSA-N 1 1 464.616 5.106 50 0 JKAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@H+]4CCC[C@H]4c4cccs4)c3)[nH]c(=O)c2c1C ZINC000009645041 555357718 /nfs/dbraw/zinc/35/77/18/555357718.db2.gz MKXNCQIDMWFGLA-SFHVURJKSA-N 1 1 464.616 5.106 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H](c3nccn3C)c3ccccc3)c2c1C ZINC000009647472 555361287 /nfs/dbraw/zinc/36/12/87/555361287.db2.gz AIMXCYYDCUVTQF-QHCPKHFHSA-N 1 1 460.651 5.475 50 0 JKAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(C)C)cc4)c3NC3CCCCC3)s2)CC1 ZINC000013347069 555377299 /nfs/dbraw/zinc/37/72/99/555377299.db2.gz CYCSMMVKLSZMSO-UHFFFAOYSA-N 1 1 452.672 5.468 50 0 JKAAMO C[NH+]1CCN(c2nn3c(nc(-c4ccc(OCc5ccccc5)cc4)c3NC3CCCC3)s2)CC1 ZINC000013347094 555377318 /nfs/dbraw/zinc/37/73/18/555377318.db2.gz QEMITQZQFOOSEB-UHFFFAOYSA-N 1 1 488.661 5.143 50 0 JKAAMO Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000009674061 555398616 /nfs/dbraw/zinc/39/86/16/555398616.db2.gz LBIPCWJBYFOMQB-UHFFFAOYSA-N 1 1 484.644 5.250 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000009596427 555412796 /nfs/dbraw/zinc/41/27/96/555412796.db2.gz JTWLOXZNMAWIDJ-UHFFFAOYSA-N 1 1 471.479 5.037 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000009596427 555412799 /nfs/dbraw/zinc/41/27/99/555412799.db2.gz JTWLOXZNMAWIDJ-UHFFFAOYSA-N 1 1 471.479 5.037 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000009598001 555415488 /nfs/dbraw/zinc/41/54/88/555415488.db2.gz RQQMKYGKHAFSFO-XMMPIXPASA-N 1 1 493.696 5.023 50 0 JKAAMO C[N@@H+](CCCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693739 555422938 /nfs/dbraw/zinc/42/29/38/555422938.db2.gz RDQVANXHFDRMLY-UHFFFAOYSA-N 1 1 468.066 5.497 50 0 JKAAMO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009693757 555422962 /nfs/dbraw/zinc/42/29/62/555422962.db2.gz DXPWYBRXRNQPQQ-UHFFFAOYSA-N 1 1 480.077 5.424 50 0 JKAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713581 555440268 /nfs/dbraw/zinc/44/02/68/555440268.db2.gz IHCSIXUVCBRRAZ-RUZDIDTESA-N 1 1 499.640 5.190 50 0 JKAAMO O=C1C[C@H](c2ccccc2O)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000013519696 555485906 /nfs/dbraw/zinc/48/59/06/555485906.db2.gz GPPDQQGQEJGRKH-XMMPIXPASA-N 1 1 490.607 5.007 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000009777159 555495981 /nfs/dbraw/zinc/49/59/81/555495981.db2.gz WGENQBIOWKAEOK-UHFFFAOYSA-N 1 1 462.638 5.471 50 0 JKAAMO Cc1[nH]c2ccccc2c1CC[NH2+][C@@H](c1nnnn1-c1c(C)cccc1C)c1ccc(Cl)cc1 ZINC000019848418 555509766 /nfs/dbraw/zinc/50/97/66/555509766.db2.gz DFPRBEOPTKOUQH-RUZDIDTESA-N 1 1 471.008 5.644 50 0 JKAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000013592717 555527978 /nfs/dbraw/zinc/52/79/78/555527978.db2.gz LIEPOPJIKJBLKK-TWRBBEJXSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000013592717 555527981 /nfs/dbraw/zinc/52/79/81/555527981.db2.gz LIEPOPJIKJBLKK-TWRBBEJXSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCN(C)CC1)c1ccccc1CC2 ZINC000019893170 555531306 /nfs/dbraw/zinc/53/13/06/555531306.db2.gz QKVCVVOYWQFGNS-UHFFFAOYSA-N 1 1 490.692 5.242 50 0 biogenic JKAAMO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000019894355 555532120 /nfs/dbraw/zinc/53/21/20/555532120.db2.gz XUAUYAHJZIONAD-UHFFFAOYSA-N 1 1 472.032 6.019 50 0 JKAAMO Cc1cccc(-c2nc3c4ccccc4nc(NCCC[NH+]4CCN(c5ccccc5F)CC4)n3n2)c1 ZINC000009831176 555532788 /nfs/dbraw/zinc/53/27/88/555532788.db2.gz QSUJGQHMNMEZLI-UHFFFAOYSA-N 1 1 495.606 5.016 50 0 JKAAMO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019897184 555532943 /nfs/dbraw/zinc/53/29/43/555532943.db2.gz WIOFTFFTYUOOMF-UHFFFAOYSA-N 1 1 482.365 5.410 50 0 JKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019908807 555536742 /nfs/dbraw/zinc/53/67/42/555536742.db2.gz FXOUHSZKPXSEEX-HSZRJFAPSA-N 1 1 482.455 5.323 50 0 JKAAMO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 ZINC000019913660 555539425 /nfs/dbraw/zinc/53/94/25/555539425.db2.gz PBXMFCZHJCDAIW-XMMPIXPASA-N 1 1 494.664 5.671 50 0 JKAAMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)n2c3ccccc3nc2N1 ZINC000019920713 555539588 /nfs/dbraw/zinc/53/95/88/555539588.db2.gz DERMPHGBXHAHBR-MHZLTWQESA-N 1 1 498.030 5.323 50 0 JKAAMO CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019940049 555558258 /nfs/dbraw/zinc/55/82/58/555558258.db2.gz MOGPOBRYCLDYJI-UHFFFAOYSA-N 1 1 461.656 5.754 50 0 JKAAMO CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000019940049 555558260 /nfs/dbraw/zinc/55/82/60/555558260.db2.gz MOGPOBRYCLDYJI-UHFFFAOYSA-N 1 1 461.656 5.754 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000009971617 555569733 /nfs/dbraw/zinc/56/97/33/555569733.db2.gz JZEBBYRDTLESQJ-QHCPKHFHSA-N 1 1 475.054 5.603 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000009971613 555569752 /nfs/dbraw/zinc/56/97/52/555569752.db2.gz CLDKSZAZIURUJZ-HSZRJFAPSA-N 1 1 458.599 5.089 50 0 JKAAMO c1ccc(C[N@H+]2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000020028386 555603877 /nfs/dbraw/zinc/60/38/77/555603877.db2.gz LZBMMFQTIDLMFA-LQJZCPKCSA-N 1 1 483.680 8.619 50 0 JKAAMO CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000013756143 555610719 /nfs/dbraw/zinc/61/07/19/555610719.db2.gz NZDPZXCOAQRBSV-UHFFFAOYSA-N 1 1 465.644 5.335 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1OC ZINC000013805994 555623207 /nfs/dbraw/zinc/62/32/07/555623207.db2.gz HHLHMTXLWUGYLE-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO Cc1cccc(N2CC[N@H+](CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@H]2C)c1 ZINC000013809684 555623998 /nfs/dbraw/zinc/62/39/98/555623998.db2.gz XSEHDBZUHIAJIP-LJQANCHMSA-N 1 1 477.012 5.259 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OCC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000013811117 555627129 /nfs/dbraw/zinc/62/71/29/555627129.db2.gz LFMBLQPIDQGMHY-VSGBNLITSA-N 1 1 496.567 5.297 50 0 JKAAMO COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000013811184 555627267 /nfs/dbraw/zinc/62/72/67/555627267.db2.gz VEXVRBYXMBSEMZ-RPBOFIJWSA-N 1 1 490.922 5.301 50 0 JKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000020107713 555641797 /nfs/dbraw/zinc/64/17/97/555641797.db2.gz JDSZHNRGPOGYTK-UHFFFAOYSA-N 1 1 451.636 6.393 50 0 JKAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1Cl ZINC000020107873 555642181 /nfs/dbraw/zinc/64/21/81/555642181.db2.gz HNGDRJJGLMEKTP-KRWDZBQOSA-N 1 1 452.089 5.731 50 0 JKAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1Cl ZINC000020107871 555642255 /nfs/dbraw/zinc/64/22/55/555642255.db2.gz HNGDRJJGLMEKTP-QGZVFWFLSA-N 1 1 452.089 5.731 50 0 JKAAMO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020123816 555655467 /nfs/dbraw/zinc/65/54/67/555655467.db2.gz BGIJYLGQMUUEHI-UHFFFAOYSA-N 1 1 485.480 6.215 50 0 JKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000010276208 555670859 /nfs/dbraw/zinc/67/08/59/555670859.db2.gz WYYQSFZYVIZXJG-MHZLTWQESA-N 1 1 471.601 5.099 50 0 JKAAMO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020158687 555676543 /nfs/dbraw/zinc/67/65/43/555676543.db2.gz BSCGVOKSECGGMD-UHFFFAOYSA-N 1 1 478.661 7.098 50 0 JKAAMO COc1ccc(Nc2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000020169608 555680361 /nfs/dbraw/zinc/68/03/61/555680361.db2.gz IGBMMQIUXHOVRW-UHFFFAOYSA-N 1 1 484.625 5.443 50 0 JKAAMO CC1=Nc2cc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccc(Cl)cc21 ZINC000020178892 555684353 /nfs/dbraw/zinc/68/43/53/555684353.db2.gz FSKNGZBLNIYLIQ-CALCHBBNSA-N 1 1 456.055 6.328 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179254 555684701 /nfs/dbraw/zinc/68/47/01/555684701.db2.gz KSUJCBMNXBAIDV-IVRBHCBNSA-N 1 1 499.586 5.007 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181077 555687553 /nfs/dbraw/zinc/68/75/53/555687553.db2.gz OEXJKQJAUBVFOD-QUESDIRFSA-N 1 1 484.065 5.201 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181074 555687579 /nfs/dbraw/zinc/68/75/79/555687579.db2.gz OEXJKQJAUBVFOD-FEQHDXENSA-N 1 1 484.065 5.201 50 0 JKAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)C1CCCCC1 ZINC000020181222 555687950 /nfs/dbraw/zinc/68/79/50/555687950.db2.gz SFEAMBUPYGFJFE-BWAHOGKJSA-N 1 1 481.637 5.076 50 0 JKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000014112801 555691280 /nfs/dbraw/zinc/69/12/80/555691280.db2.gz SALDOPYVZCPIMV-AREMUKBSSA-N 1 1 485.565 5.047 50 0 JKAAMO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020193406 555694929 /nfs/dbraw/zinc/69/49/29/555694929.db2.gz ICDTVEJVZZSAAH-VWLOTQADSA-N 1 1 463.647 5.353 50 0 JKAAMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)s1 ZINC000014124665 555696270 /nfs/dbraw/zinc/69/62/70/555696270.db2.gz CKRLEHLQSYWVDX-GFCCVEGCSA-N 1 1 461.410 5.550 50 0 JKAAMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)s1 ZINC000014124665 555696272 /nfs/dbraw/zinc/69/62/72/555696272.db2.gz CKRLEHLQSYWVDX-GFCCVEGCSA-N 1 1 461.410 5.550 50 0 JKAAMO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2ccccc2Br)c2ccccc2)cc1 ZINC000014138668 555705027 /nfs/dbraw/zinc/70/50/27/555705027.db2.gz RICLYWOPPCNCEX-MZNJEOGPSA-N 1 1 453.380 5.014 50 0 JKAAMO COc1ccc(Br)cc1-c1nc(C[NH2+][C@H](C)c2ccc3ccccc3c2)cs1 ZINC000014157562 555715283 /nfs/dbraw/zinc/71/52/83/555715283.db2.gz HUPIMIZXESZDRE-OAHLLOKOSA-N 1 1 453.405 6.585 50 0 JKAAMO COc1ccc(Br)cc1-c1nc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)cs1 ZINC000014157559 555715324 /nfs/dbraw/zinc/71/53/24/555715324.db2.gz HUPIMIZXESZDRE-HNNXBMFYSA-N 1 1 453.405 6.585 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000014165278 555718309 /nfs/dbraw/zinc/71/83/09/555718309.db2.gz YCJUEWLEYOFGQT-HHHXNRCGSA-N 1 1 455.602 5.399 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000014165274 555718387 /nfs/dbraw/zinc/71/83/87/555718387.db2.gz YCJUEWLEYOFGQT-MHZLTWQESA-N 1 1 455.602 5.399 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000020240831 555736143 /nfs/dbraw/zinc/73/61/43/555736143.db2.gz HWCZENBNMBTAKS-JOCHJYFZSA-N 1 1 451.998 5.183 50 0 JKAAMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241381 555736791 /nfs/dbraw/zinc/73/67/91/555736791.db2.gz BAABIFGTXNHFLE-RJARCIMUSA-N 1 1 466.497 5.488 50 0 JKAAMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241391 555736876 /nfs/dbraw/zinc/73/68/76/555736876.db2.gz BRZHXABSYVVAHO-RPXOIIGOSA-N 1 1 465.604 5.200 50 0 JKAAMO CC(C)Oc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000020347257 555779657 /nfs/dbraw/zinc/77/96/57/555779657.db2.gz HITLRSNHXXMYLE-UHFFFAOYSA-N 1 1 493.445 5.784 50 0 JKAAMO O=C(c1ccc(OCCc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347266 555779683 /nfs/dbraw/zinc/77/96/83/555779683.db2.gz JEQMBAAZCNVBPN-UHFFFAOYSA-N 1 1 476.620 5.856 50 0 JKAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1 ZINC000020347243 555779739 /nfs/dbraw/zinc/77/97/39/555779739.db2.gz GCORMKLSLGYEBQ-UHFFFAOYSA-N 1 1 481.640 5.753 50 0 JKAAMO COc1cccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020532141 555799982 /nfs/dbraw/zinc/79/99/82/555799982.db2.gz LTRSVZGNWJWWSU-QFIPXVFZSA-N 1 1 466.651 5.834 50 0 JKAAMO CCOC(=O)c1c(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)sc2c1CCCC2 ZINC000020532098 555800035 /nfs/dbraw/zinc/80/00/35/555800035.db2.gz CAGLVZAAMBLBAS-UHFFFAOYSA-N 1 1 481.662 5.106 50 0 JKAAMO COc1cccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020532142 555800145 /nfs/dbraw/zinc/80/01/45/555800145.db2.gz LTRSVZGNWJWWSU-JOCHJYFZSA-N 1 1 466.651 5.834 50 0 JKAAMO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1OC ZINC000020532153 555800431 /nfs/dbraw/zinc/80/04/31/555800431.db2.gz PPOPYDUXXZFXLX-NRFANRHFSA-N 1 1 496.677 5.843 50 0 JKAAMO Cc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532160 555800485 /nfs/dbraw/zinc/80/04/85/555800485.db2.gz ALTJTHKHIUKWOT-QFIPXVFZSA-N 1 1 450.652 6.134 50 0 JKAAMO CCOc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532168 555800496 /nfs/dbraw/zinc/80/04/96/555800496.db2.gz WVKQDDLCRPSULR-HSZRJFAPSA-N 1 1 480.678 6.224 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccccc2OC)C1 ZINC000020532184 555800794 /nfs/dbraw/zinc/80/07/94/555800794.db2.gz APVITPSWJNWBGP-QFIPXVFZSA-N 1 1 480.678 6.224 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532198 555800808 /nfs/dbraw/zinc/80/08/08/555800808.db2.gz BSALCXISIGFOLA-QHCPKHFHSA-N 1 1 464.679 6.524 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532200 555800848 /nfs/dbraw/zinc/80/08/48/555800848.db2.gz JUMQZWKSRUPXDG-DEOSSOPVSA-N 1 1 478.706 6.833 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000020532192 555800856 /nfs/dbraw/zinc/80/08/56/555800856.db2.gz XSHYPKYSYHEEBF-DEOSSOPVSA-N 1 1 478.706 6.833 50 0 JKAAMO CCOc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532196 555800898 /nfs/dbraw/zinc/80/08/98/555800898.db2.gz UKAGFFZDDURIDO-HSZRJFAPSA-N 1 1 494.705 6.615 50 0 JKAAMO CCOc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532195 555800912 /nfs/dbraw/zinc/80/09/12/555800912.db2.gz UKAGFFZDDURIDO-QHCPKHFHSA-N 1 1 494.705 6.615 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532176 555801056 /nfs/dbraw/zinc/80/10/56/555801056.db2.gz FZMSNDRRYKMKQY-OAQYLSRUSA-N 1 1 480.678 6.143 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000020532241 555801223 /nfs/dbraw/zinc/80/12/23/555801223.db2.gz QNNJYOGLWGRLSL-OAHLLOKOSA-N 1 1 462.541 5.818 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532235 555801408 /nfs/dbraw/zinc/80/14/08/555801408.db2.gz YMGCQDIFFZUTCU-OAHLLOKOSA-N 1 1 473.440 5.562 50 0 JKAAMO Cc1cccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCc2cccc(F)c2)c1 ZINC000011785166 555817305 /nfs/dbraw/zinc/81/73/05/555817305.db2.gz JFISIOWSIZDEOL-OZXSUGGESA-N 1 1 488.632 5.105 50 0 JKAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020567867 555821012 /nfs/dbraw/zinc/82/10/12/555821012.db2.gz MITOFCPPIKPOCV-UHFFFAOYSA-N 1 1 479.546 5.226 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597933 555840207 /nfs/dbraw/zinc/84/02/07/555840207.db2.gz BLGLDDVWUIDYEW-HXUWFJFHSA-N 1 1 488.632 5.147 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868209 555845211 /nfs/dbraw/zinc/84/52/11/555845211.db2.gz NHFIKGJTKVFBJF-XMMPIXPASA-N 1 1 454.680 6.110 50 0 JKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021795473 555856329 /nfs/dbraw/zinc/85/63/29/555856329.db2.gz OLGVLHSHWLDKRM-UHFFFAOYSA-N 1 1 456.472 5.792 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC000021795473 555856332 /nfs/dbraw/zinc/85/63/32/555856332.db2.gz OLGVLHSHWLDKRM-UHFFFAOYSA-N 1 1 456.472 5.792 50 0 JKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccccc1F ZINC000011910319 555857669 /nfs/dbraw/zinc/85/76/69/555857669.db2.gz NAPWFYGEICKPOR-HXUWFJFHSA-N 1 1 474.601 6.765 50 0 JKAAMO CCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000022011166 555861692 /nfs/dbraw/zinc/86/16/92/555861692.db2.gz XMVOUCMJLNHBFB-UHFFFAOYSA-N 1 1 462.575 5.471 50 0 JKAAMO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000022011166 555861695 /nfs/dbraw/zinc/86/16/95/555861695.db2.gz XMVOUCMJLNHBFB-UHFFFAOYSA-N 1 1 462.575 5.471 50 0 JKAAMO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912775 555861952 /nfs/dbraw/zinc/86/19/52/555861952.db2.gz RLYYDKBHIIGWAF-MUUNZHRXSA-N 1 1 495.623 5.292 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000011913778 555863681 /nfs/dbraw/zinc/86/36/81/555863681.db2.gz KQHSXMFXZNLTBA-GBXCKJPGSA-N 1 1 474.944 5.422 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccc(Oc4ccc(Cl)cc4)c2)[C@H]3CCC1 ZINC000022078063 555871928 /nfs/dbraw/zinc/87/19/28/555871928.db2.gz LRCFORHOLPKIQA-NDEPHWFRSA-N 1 1 457.017 7.679 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2cccc(Oc4ccc(Cl)cc4)c2)[C@H]3CCC1 ZINC000022078063 555871933 /nfs/dbraw/zinc/87/19/33/555871933.db2.gz LRCFORHOLPKIQA-NDEPHWFRSA-N 1 1 457.017 7.679 50 0 JKAAMO CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012000952 555882341 /nfs/dbraw/zinc/88/23/41/555882341.db2.gz CZTBABKTNDPGEL-DEOSSOPVSA-N 1 1 474.498 5.432 50 0 JKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1 ZINC000012040024 555892547 /nfs/dbraw/zinc/89/25/47/555892547.db2.gz NOIGTJWBOACGCU-LJQANCHMSA-N 1 1 480.992 5.355 50 0 JKAAMO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000012050784 555896131 /nfs/dbraw/zinc/89/61/31/555896131.db2.gz WEVPGKHTEHJNCK-QHCPKHFHSA-N 1 1 454.586 5.622 50 0 JKAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319744 555897505 /nfs/dbraw/zinc/89/75/05/555897505.db2.gz CEBFMSUINKFTEF-RXVVDRJESA-N 1 1 472.511 5.145 50 0 JKAAMO CCC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nnc(-c2cccs2)o1 ZINC000015484188 555911112 /nfs/dbraw/zinc/91/11/12/555911112.db2.gz IFCIENMMPRJLEZ-UHFFFAOYSA-N 1 1 455.587 6.063 50 0 JKAAMO CCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nnc(-c2cccs2)o1 ZINC000015484188 555911113 /nfs/dbraw/zinc/91/11/13/555911113.db2.gz IFCIENMMPRJLEZ-UHFFFAOYSA-N 1 1 455.587 6.063 50 0 JKAAMO C[NH+](C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000012140832 555919882 /nfs/dbraw/zinc/91/98/82/555919882.db2.gz CLZNKQBQVJZPCM-UHFFFAOYSA-N 1 1 465.525 5.014 50 0 JKAAMO C[N@@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1)Cc1cccc2ccccc21 ZINC000012148889 555920615 /nfs/dbraw/zinc/92/06/15/555920615.db2.gz XDDBBAJMNJNTHO-SANMLTNESA-N 1 1 498.692 6.393 50 0 JKAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2ccccc2F)C1 ZINC000012150146 555922142 /nfs/dbraw/zinc/92/21/42/555922142.db2.gz WRNZSXLXMIAINJ-HXUWFJFHSA-N 1 1 490.575 5.149 50 0 JKAAMO C[N@@H+](C[C@H](O)c1ccccc1)C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000012151834 555925075 /nfs/dbraw/zinc/92/50/75/555925075.db2.gz BGTPAVPOIQCZLT-LJAQVGFWSA-N 1 1 471.645 5.282 50 0 JKAAMO C[N@@H+](CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015672931 555930934 /nfs/dbraw/zinc/93/09/34/555930934.db2.gz PKQPGNWCAONUPF-MUUNZHRXSA-N 1 1 498.737 5.411 50 0 JKAAMO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000015675851 555935031 /nfs/dbraw/zinc/93/50/31/555935031.db2.gz KVYNTMRKXVFWSZ-LJAQVGFWSA-N 1 1 496.696 5.251 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678262 555943329 /nfs/dbraw/zinc/94/33/29/555943329.db2.gz ZPRQUIUBDZFRCD-MNNSJKJDSA-N 1 1 494.680 5.066 50 0 JKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000012376170 555963432 /nfs/dbraw/zinc/96/34/32/555963432.db2.gz KMYPEBMEKUQHKI-CCLHPLFOSA-N 1 1 490.028 5.066 50 0 JKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(Cl)cc1 ZINC000012376170 555963435 /nfs/dbraw/zinc/96/34/35/555963435.db2.gz KMYPEBMEKUQHKI-CCLHPLFOSA-N 1 1 490.028 5.066 50 0 JKAAMO CC(=O)c1c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccccc2)[nH]c1=S ZINC000012380055 555968137 /nfs/dbraw/zinc/96/81/37/555968137.db2.gz LEUQHQUCKFONTN-UHFFFAOYSA-N 1 1 480.637 5.547 50 0 JKAAMO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000022916540 555970172 /nfs/dbraw/zinc/97/01/72/555970172.db2.gz ZHKWYPRSELVIIG-RNPORBBMSA-N 1 1 487.474 7.490 50 0 JKAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000022916540 555970175 /nfs/dbraw/zinc/97/01/75/555970175.db2.gz ZHKWYPRSELVIIG-RNPORBBMSA-N 1 1 487.474 7.490 50 0 JKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000022920729 555974542 /nfs/dbraw/zinc/97/45/42/555974542.db2.gz REIIRZUYQFOKER-UHFFFAOYSA-N 1 1 452.023 5.248 50 0 JKAAMO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)s1 ZINC000012455957 555981652 /nfs/dbraw/zinc/98/16/52/555981652.db2.gz XFGMOUCVJJRZOG-QHCPKHFHSA-N 1 1 463.647 5.057 50 0 JKAAMO CCN1CC[NH+](Cc2ccc(Nc3nc(-c4ccc(OC)cc4)nc4ccccc43)cc2)CC1 ZINC000022937868 555991119 /nfs/dbraw/zinc/99/11/19/555991119.db2.gz MJEAECTZJPJHDE-UHFFFAOYSA-N 1 1 453.590 5.187 50 0 JKAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022938278 555991436 /nfs/dbraw/zinc/99/14/36/555991436.db2.gz JOTVOXPRQGUELT-RUZDIDTESA-N 1 1 459.977 5.675 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022938283 555991445 /nfs/dbraw/zinc/99/14/45/555991445.db2.gz IREIZBRQKPFTQN-AREMUKBSSA-N 1 1 474.004 6.065 50 0 JKAAMO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022938258 555991474 /nfs/dbraw/zinc/99/14/74/555991474.db2.gz NTXCOCRBLOLLQB-SANMLTNESA-N 1 1 455.558 5.031 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000022938234 555991477 /nfs/dbraw/zinc/99/14/77/555991477.db2.gz FKNNUMIDPMBVSS-XMMPIXPASA-N 1 1 480.033 6.127 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1)c1cccs1 ZINC000022938237 555991496 /nfs/dbraw/zinc/99/14/96/555991496.db2.gz DDBZTYABZOZDAE-DEOSSOPVSA-N 1 1 496.032 5.099 50 0 JKAAMO COc1cccc(OC)c1OCCCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022938700 555992359 /nfs/dbraw/zinc/99/23/59/555992359.db2.gz XBUDDFBYDZQHQB-UHFFFAOYSA-N 1 1 488.672 6.050 50 0 JKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(F)cc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524686 555993634 /nfs/dbraw/zinc/99/36/34/555993634.db2.gz RAHBFUYGIPXNKZ-MGBGTMOVSA-N 1 1 461.565 7.921 50 0 JKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)cc3C)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524747 555994046 /nfs/dbraw/zinc/99/40/46/555994046.db2.gz FVVDGECVLPUEED-DHUJRADRSA-N 1 1 485.656 8.789 50 0 JKAAMO Clc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)cc1 ZINC000015830593 556016789 /nfs/dbraw/zinc/01/67/89/556016789.db2.gz WZLCCEAXICSAQO-OAQYLSRUSA-N 1 1 468.782 6.074 50 0 JKAAMO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000023153851 556024952 /nfs/dbraw/zinc/02/49/52/556024952.db2.gz KHLSWJRQOBLHOA-UHFFFAOYSA-N 1 1 477.655 6.442 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2-c2nc3ccccc3s2)C1 ZINC000023153903 556025272 /nfs/dbraw/zinc/02/52/72/556025272.db2.gz IXCHCIJINNTKTQ-UHFFFAOYSA-N 1 1 462.625 5.875 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2-c2nc3ccccc3s2)C1 ZINC000023153903 556025273 /nfs/dbraw/zinc/02/52/73/556025273.db2.gz IXCHCIJINNTKTQ-UHFFFAOYSA-N 1 1 462.625 5.875 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000012548989 556027919 /nfs/dbraw/zinc/02/79/19/556027919.db2.gz XYOGHGRYZQUEPF-ZWKOTPCHSA-N 1 1 470.679 5.806 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000012548989 556027922 /nfs/dbraw/zinc/02/79/22/556027922.db2.gz XYOGHGRYZQUEPF-ZWKOTPCHSA-N 1 1 470.679 5.806 50 0 JKAAMO C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182399 556028781 /nfs/dbraw/zinc/02/87/81/556028781.db2.gz LJUKHFNMUDXQPA-MBSDFSHPSA-N 1 1 454.640 5.126 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000023182418 556028799 /nfs/dbraw/zinc/02/87/99/556028799.db2.gz DBKTWQBLMJHZQA-CJFMBICVSA-N 1 1 482.694 5.742 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182484 556028803 /nfs/dbraw/zinc/02/88/03/556028803.db2.gz DICSQDSHNMSUBB-YADARESESA-N 1 1 468.667 5.434 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182480 556028810 /nfs/dbraw/zinc/02/88/10/556028810.db2.gz DICSQDSHNMSUBB-NTKDMRAZSA-N 1 1 468.667 5.434 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023182508 556028976 /nfs/dbraw/zinc/02/89/76/556028976.db2.gz JDSSXESZIAALLY-CPJSRVTESA-N 1 1 482.694 5.742 50 0 JKAAMO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182683 556029098 /nfs/dbraw/zinc/02/90/98/556029098.db2.gz GEWNVDHAGZJTKL-SBUREZEXSA-N 1 1 473.017 5.614 50 0 JKAAMO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182511 556029116 /nfs/dbraw/zinc/02/91/16/556029116.db2.gz RPBBDKIIFWELDS-UZUQRXQVSA-N 1 1 472.630 5.265 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@H](c1cccc(Br)c1)[NH+]1CCCCC1)c1cccs1 ZINC000015859434 556030111 /nfs/dbraw/zinc/03/01/11/556030111.db2.gz JEEHIBVJYTUORC-QHCPKHFHSA-N 1 1 495.442 7.084 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cccc(Cl)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864889 556040706 /nfs/dbraw/zinc/04/07/06/556040706.db2.gz UJCJDNFRTHJOLM-RUZDIDTESA-N 1 1 463.046 7.383 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(Cl)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864888 556040822 /nfs/dbraw/zinc/04/08/22/556040822.db2.gz QRQUPFUVNJGUDI-VWLOTQADSA-N 1 1 463.046 7.383 50 0 JKAAMO Cc1c(C(=O)C[N@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c2ccccc2n1C ZINC000015864839 556040911 /nfs/dbraw/zinc/04/09/11/556040911.db2.gz HFMHONRJQYQYBX-NDEPHWFRSA-N 1 1 454.639 6.257 50 0 JKAAMO FC(F)(F)c1cccc([C@H](OCC[NH+]2CCN(Cc3ccc(Cl)o3)CC2)c2ccccc2)c1 ZINC000023331729 556042717 /nfs/dbraw/zinc/04/27/17/556042717.db2.gz CUERRSOJUMUYAV-XMMPIXPASA-N 1 1 478.942 5.876 50 0 JKAAMO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CC1 ZINC000023335609 556045266 /nfs/dbraw/zinc/04/52/66/556045266.db2.gz VHOCDXRJHKLAPG-UHFFFAOYSA-N 1 1 456.512 5.176 50 0 JKAAMO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)CC1 ZINC000023336774 556046712 /nfs/dbraw/zinc/04/67/12/556046712.db2.gz DOUWUIVTUUHZHO-UHFFFAOYSA-N 1 1 471.649 5.148 50 0 JKAAMO O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000023425652 556053519 /nfs/dbraw/zinc/05/35/19/556053519.db2.gz DFTBODCWKQQJBC-UHFFFAOYSA-N 1 1 469.416 5.751 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000015881860 556054510 /nfs/dbraw/zinc/05/45/10/556054510.db2.gz ZOWDLWLSIASHJG-UHFFFAOYSA-N 1 1 483.659 6.273 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000015881860 556054513 /nfs/dbraw/zinc/05/45/13/556054513.db2.gz ZOWDLWLSIASHJG-UHFFFAOYSA-N 1 1 483.659 6.273 50 0 JKAAMO CCOC(=O)c1ccc(-n2cc[nH+]c2CC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000023429497 556055053 /nfs/dbraw/zinc/05/50/53/556055053.db2.gz MPNFSTCXTTZLNR-UHFFFAOYSA-N 1 1 455.942 5.061 50 0 JKAAMO CCN(CC[N@@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(Cl)cc1)-c1ccccc1OC2 ZINC000023441220 556060406 /nfs/dbraw/zinc/06/04/06/556060406.db2.gz LBVFFGRANDUWAW-UHFFFAOYSA-N 1 1 466.025 5.423 50 0 JKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450794 556065440 /nfs/dbraw/zinc/06/54/40/556065440.db2.gz GGMGKTQQDLRALZ-NRFANRHFSA-N 1 1 454.618 6.137 50 0 JKAAMO CCCCCN(CCCCC)Cn1c2ccccc2n(C[NH+](CCCCC)CCCCC)c1=S ZINC000012570786 556073065 /nfs/dbraw/zinc/07/30/65/556073065.db2.gz TWRSWUYPGIAYLM-UHFFFAOYSA-N 1 1 488.830 8.452 50 0 JKAAMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000015944525 556080925 /nfs/dbraw/zinc/08/09/25/556080925.db2.gz ONPSQLVYBKBEGZ-DEOSSOPVSA-N 1 1 487.088 5.286 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000015944525 556080927 /nfs/dbraw/zinc/08/09/27/556080927.db2.gz ONPSQLVYBKBEGZ-DEOSSOPVSA-N 1 1 487.088 5.286 50 0 JKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946373 556082848 /nfs/dbraw/zinc/08/28/48/556082848.db2.gz ZHBZGWVRNMBUAB-QHCPKHFHSA-N 1 1 477.586 5.171 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946369 556082887 /nfs/dbraw/zinc/08/28/87/556082887.db2.gz RNGSBOPJNCDTOM-DEOSSOPVSA-N 1 1 491.613 5.561 50 0 JKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946540 556083209 /nfs/dbraw/zinc/08/32/09/556083209.db2.gz LIPSWLHJIRZNQG-LJQANCHMSA-N 1 1 497.705 5.830 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946561 556083226 /nfs/dbraw/zinc/08/32/26/556083226.db2.gz AJQGTBLRFBMPQT-CTNGQTDRSA-N 1 1 495.733 6.439 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946561 556083231 /nfs/dbraw/zinc/08/32/31/556083231.db2.gz AJQGTBLRFBMPQT-CTNGQTDRSA-N 1 1 495.733 6.439 50 0 JKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946539 556083281 /nfs/dbraw/zinc/08/32/81/556083281.db2.gz LIPSWLHJIRZNQG-IBGZPJMESA-N 1 1 497.705 5.830 50 0 JKAAMO Cc1cccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946722 556083591 /nfs/dbraw/zinc/08/35/91/556083591.db2.gz JYEXXHBMMFYALP-HXUWFJFHSA-N 1 1 481.706 6.130 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946802 556083627 /nfs/dbraw/zinc/08/36/27/556083627.db2.gz OMJDTVYJYGLVRT-FPOVZHCZSA-N 1 1 495.733 6.527 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946802 556083628 /nfs/dbraw/zinc/08/36/28/556083628.db2.gz OMJDTVYJYGLVRT-FPOVZHCZSA-N 1 1 495.733 6.527 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947059 556084291 /nfs/dbraw/zinc/08/42/91/556084291.db2.gz SCFNSRUARHMBAT-HXUWFJFHSA-N 1 1 472.408 5.966 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947265 556084706 /nfs/dbraw/zinc/08/47/06/556084706.db2.gz SGYVOQDRWXHVFQ-DEOSSOPVSA-N 1 1 491.613 5.481 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c2)N3)C1 ZINC000015947271 556085189 /nfs/dbraw/zinc/08/51/89/556085189.db2.gz RGOMBJLZJCHYCX-JOCHJYFZSA-N 1 1 498.004 5.436 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000015947414 556085281 /nfs/dbraw/zinc/08/52/81/556085281.db2.gz QCSICCCUJQHYMJ-QHCPKHFHSA-N 1 1 477.586 5.091 50 0 JKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947319 556085285 /nfs/dbraw/zinc/08/52/85/556085285.db2.gz IYMIQVWDNLHERA-DEOSSOPVSA-N 1 1 476.001 6.649 50 0 JKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947319 556085286 /nfs/dbraw/zinc/08/52/86/556085286.db2.gz IYMIQVWDNLHERA-DEOSSOPVSA-N 1 1 476.001 6.649 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000015947416 556085528 /nfs/dbraw/zinc/08/55/28/556085528.db2.gz QCSICCCUJQHYMJ-HSZRJFAPSA-N 1 1 477.586 5.091 50 0 JKAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@H+](CC)Cc1ccccc1 ZINC000012632706 556093725 /nfs/dbraw/zinc/09/37/25/556093725.db2.gz DWUPWGGEJCDFGO-UHFFFAOYSA-N 1 1 482.602 5.070 50 0 JKAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000012632706 556093727 /nfs/dbraw/zinc/09/37/27/556093727.db2.gz DWUPWGGEJCDFGO-UHFFFAOYSA-N 1 1 482.602 5.070 50 0 JKAAMO Cc1cc(CSc2ncccc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000023983496 556111434 /nfs/dbraw/zinc/11/14/34/556111434.db2.gz HMXKVJDLOGDFGD-UHFFFAOYSA-N 1 1 484.625 5.218 50 0 JKAAMO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccs1 ZINC000012785201 556112612 /nfs/dbraw/zinc/11/26/12/556112612.db2.gz PHWITMGJBQISIG-UHFFFAOYSA-N 1 1 455.583 5.112 50 0 JKAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012843140 556116460 /nfs/dbraw/zinc/11/64/60/556116460.db2.gz AXBBQSKGTCZFDD-UHFFFAOYSA-N 1 1 453.945 5.062 50 0 JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000016041266 556121501 /nfs/dbraw/zinc/12/15/01/556121501.db2.gz OXYYGWFHYWELQU-UWWQBHOKSA-N 1 1 454.225 5.047 50 0 JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000016041302 556121533 /nfs/dbraw/zinc/12/15/33/556121533.db2.gz DWGJOEKNMCQDLE-UWWQBHOKSA-N 1 1 454.225 5.047 50 0 JKAAMO COc1ccc(-c2cc(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@H]3c3cccs3)on2)cc1 ZINC000024527610 556133608 /nfs/dbraw/zinc/13/36/08/556133608.db2.gz UZQOXUPPFLTNJO-SANMLTNESA-N 1 1 462.571 5.577 50 0 JKAAMO COc1ccc(-c2cc(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3c3cccs3)on2)cc1 ZINC000024527610 556133610 /nfs/dbraw/zinc/13/36/10/556133610.db2.gz UZQOXUPPFLTNJO-SANMLTNESA-N 1 1 462.571 5.577 50 0 JKAAMO O=C(Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1 ZINC000016393460 556137219 /nfs/dbraw/zinc/13/72/19/556137219.db2.gz ZRBXXSYUSCTTFE-UHFFFAOYSA-N 1 1 475.592 5.486 50 0 JKAAMO CCOc1ccc(-n2c(C[NH2+][C@H](CC)c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 ZINC000016694702 556153986 /nfs/dbraw/zinc/15/39/86/556153986.db2.gz IKZHWYHRZKMKSA-HSZRJFAPSA-N 1 1 492.417 5.788 50 0 JKAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)CC1 ZINC000016695580 556154051 /nfs/dbraw/zinc/15/40/51/556154051.db2.gz FYKABRBYLQVXDM-AREMUKBSSA-N 1 1 496.560 5.074 50 0 JKAAMO Cc1cc(-c2cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000024836409 556159329 /nfs/dbraw/zinc/15/93/29/556159329.db2.gz RPVLAXBFOGEHPO-VWLOTQADSA-N 1 1 457.578 5.018 50 0 JKAAMO Cc1cc(-c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000024836409 556159331 /nfs/dbraw/zinc/15/93/31/556159331.db2.gz RPVLAXBFOGEHPO-VWLOTQADSA-N 1 1 457.578 5.018 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccc(C)cc3)cc2)cc1 ZINC000012973866 556165522 /nfs/dbraw/zinc/16/55/22/556165522.db2.gz ZETRKNKAAJVNBK-MHZLTWQESA-N 1 1 485.609 5.635 50 0 JKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1OC ZINC000017113394 556218337 /nfs/dbraw/zinc/21/83/37/556218337.db2.gz XDMMNBCYVJHABI-UHFFFAOYSA-N 1 1 493.654 6.061 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017113398 556218365 /nfs/dbraw/zinc/21/83/65/556218365.db2.gz DZTKCOPEXSLBTG-UHFFFAOYSA-N 1 1 451.592 6.183 50 0 JKAAMO CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000025560690 556221198 /nfs/dbraw/zinc/22/11/98/556221198.db2.gz PNTNMFDRXVFTKX-JWQCQUIFSA-N 1 1 455.949 5.210 50 0 JKAAMO Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575325 556222556 /nfs/dbraw/zinc/22/25/56/556222556.db2.gz OQXNSTALAGJTOP-GOTSBHOMSA-N 1 1 481.770 6.451 50 0 JKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1cccs1 ZINC000017179125 556233983 /nfs/dbraw/zinc/23/39/83/556233983.db2.gz FTCLPOAJQMTQHG-UHFFFAOYSA-N 1 1 487.675 6.897 50 0 JKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1cccs1 ZINC000017179125 556233990 /nfs/dbraw/zinc/23/39/90/556233990.db2.gz FTCLPOAJQMTQHG-UHFFFAOYSA-N 1 1 487.675 6.897 50 0 JKAAMO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013038088 556234668 /nfs/dbraw/zinc/23/46/68/556234668.db2.gz WJEZJQBHXKGZGZ-UHFFFAOYSA-N 1 1 459.373 5.439 50 0 JKAAMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013038088 556234671 /nfs/dbraw/zinc/23/46/71/556234671.db2.gz WJEZJQBHXKGZGZ-UHFFFAOYSA-N 1 1 459.373 5.439 50 0 JKAAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC ZINC000013040268 556242929 /nfs/dbraw/zinc/24/29/29/556242929.db2.gz FZCRRCPCVMVJDY-LJQANCHMSA-N 1 1 459.590 5.681 50 0 JKAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC ZINC000013040268 556242930 /nfs/dbraw/zinc/24/29/30/556242930.db2.gz FZCRRCPCVMVJDY-LJQANCHMSA-N 1 1 459.590 5.681 50 0 JKAAMO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000017288794 556251501 /nfs/dbraw/zinc/25/15/01/556251501.db2.gz JUGAOYFPXAQPOR-UHFFFAOYSA-N 1 1 463.628 6.054 50 0 JKAAMO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000017288794 556251507 /nfs/dbraw/zinc/25/15/07/556251507.db2.gz JUGAOYFPXAQPOR-UHFFFAOYSA-N 1 1 463.628 6.054 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013057143 556252035 /nfs/dbraw/zinc/25/20/35/556252035.db2.gz MLHUBWCVTUKBSI-IRXDYDNUSA-N 1 1 485.650 5.019 50 0 JKAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026480140 556255222 /nfs/dbraw/zinc/25/52/22/556255222.db2.gz UAJANAQALGHYSA-ZDUSSCGKSA-N 1 1 467.944 6.175 50 0 JKAAMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000013063072 556258949 /nfs/dbraw/zinc/25/89/49/556258949.db2.gz CPORBTSCXVGILK-XDHUDOTRSA-N 1 1 453.380 5.014 50 0 JKAAMO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017356576 556259467 /nfs/dbraw/zinc/25/94/67/556259467.db2.gz NITLSQWMQWHCEC-UHFFFAOYSA-N 1 1 497.668 5.240 50 0 JKAAMO COc1ccc2ccc(Oc3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)cc2c1 ZINC000013069704 556266495 /nfs/dbraw/zinc/26/64/95/556266495.db2.gz KWCAXEZRMSKVQP-UHFFFAOYSA-N 1 1 459.615 6.366 50 0 JKAAMO S=c1n(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000013071824 556270155 /nfs/dbraw/zinc/27/01/55/556270155.db2.gz SZCSMJCCQBHWHP-UNMCSNQZSA-N 1 1 462.619 5.470 50 0 JKAAMO S=c1n(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000013071824 556270157 /nfs/dbraw/zinc/27/01/57/556270157.db2.gz SZCSMJCCQBHWHP-UNMCSNQZSA-N 1 1 462.619 5.470 50 0 JKAAMO COc1ccccc1[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000027242711 556275630 /nfs/dbraw/zinc/27/56/30/556275630.db2.gz BELXYVCEEJINES-SMCANUKXSA-N 1 1 489.656 5.472 50 0 JKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000027989789 556311710 /nfs/dbraw/zinc/31/17/10/556311710.db2.gz BTNCPDMIUSGTNX-RUZDIDTESA-N 1 1 464.009 5.831 50 0 JKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccncc3)O2)[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]1 ZINC000013122503 556338998 /nfs/dbraw/zinc/33/89/98/556338998.db2.gz JXUBIVPIZLNBAS-FCHUYYIVSA-N 1 1 492.764 5.302 50 0 aggregator JKAAMO Clc1ccc([C@H](c2ccccc2)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019366090 556345697 /nfs/dbraw/zinc/34/56/97/556345697.db2.gz ZHKWYPRSELVIIG-KYJUHHDHSA-N 1 1 487.474 7.490 50 0 JKAAMO c1ccc(C(c2ccccc2)[NH+]2CCN([C@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000019370785 556346635 /nfs/dbraw/zinc/34/66/35/556346635.db2.gz ZBIBZVREOIJCAI-NDEPHWFRSA-N 1 1 462.662 6.842 50 0 JKAAMO O=C(c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013130065 556354696 /nfs/dbraw/zinc/35/46/96/556354696.db2.gz HPKSWBDNISBYGW-UHFFFAOYSA-N 1 1 473.523 5.461 50 0 JKAAMO C[N@@H+]1CCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[C@H](c2ccccc2)C1 ZINC000030030636 556362910 /nfs/dbraw/zinc/36/29/10/556362910.db2.gz VJQXQHZUYCCOHJ-VWLOTQADSA-N 1 1 451.570 5.457 50 0 JKAAMO C[N@H+]1CCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[C@H](c2ccccc2)C1 ZINC000030030636 556362914 /nfs/dbraw/zinc/36/29/14/556362914.db2.gz VJQXQHZUYCCOHJ-VWLOTQADSA-N 1 1 451.570 5.457 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019732643 556363017 /nfs/dbraw/zinc/36/30/17/556363017.db2.gz MSOVWIKZKAWXJO-PMERELPUSA-N 1 1 470.012 7.172 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019732643 556363019 /nfs/dbraw/zinc/36/30/19/556363019.db2.gz MSOVWIKZKAWXJO-PMERELPUSA-N 1 1 470.012 7.172 50 0 JKAAMO Cc1cccc(C)c1NC(=O)CNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000013134945 556365348 /nfs/dbraw/zinc/36/53/48/556365348.db2.gz LDQSTLOMHHZEJQ-UHFFFAOYSA-N 1 1 463.651 5.223 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000019771267 556368842 /nfs/dbraw/zinc/36/88/42/556368842.db2.gz NKPARCVBONESBN-WJOKGBTCSA-N 1 1 482.023 7.076 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000019771267 556368845 /nfs/dbraw/zinc/36/88/45/556368845.db2.gz NKPARCVBONESBN-WJOKGBTCSA-N 1 1 482.023 7.076 50 0 JKAAMO CCC(C)(C)c1ccc(OCCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)CC)c1 ZINC000019790498 556370242 /nfs/dbraw/zinc/37/02/42/556370242.db2.gz ZJSFLAKKZDDNHE-UHFFFAOYSA-N 1 1 478.721 6.565 50 0 JKAAMO Clc1ccc2c(c1)[C@@H](N1CC[NH+](CCOc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019802432 556378670 /nfs/dbraw/zinc/37/86/70/556378670.db2.gz IPNMMSBKYYISMR-DEOSSOPVSA-N 1 1 451.035 5.785 50 0 JKAAMO Clc1ccc2c(c1)[C@@H]([NH+]1CCN(CCOc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019802432 556378675 /nfs/dbraw/zinc/37/86/75/556378675.db2.gz IPNMMSBKYYISMR-DEOSSOPVSA-N 1 1 451.035 5.785 50 0 JKAAMO Clc1ccc2c(c1)C[C@H](N1CC[NH+](CCOc3ccccc3)CC1)c1ccccc1S2 ZINC000019802212 556378712 /nfs/dbraw/zinc/37/87/12/556378712.db2.gz BSBCEHLRWDJUHZ-DEOSSOPVSA-N 1 1 451.035 5.785 50 0 JKAAMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019827960 556397350 /nfs/dbraw/zinc/39/73/50/556397350.db2.gz YUHWRNINNBKQDV-WYMLVPIESA-N 1 1 451.397 5.940 50 0 JKAAMO C[C@@H](NC(=O)C[C@H](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019831360 556398538 /nfs/dbraw/zinc/39/85/38/556398538.db2.gz PACWPPZKIUYVHD-LOSJGSFVSA-N 1 1 483.656 5.214 50 0 JKAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 ZINC000032836187 556507171 /nfs/dbraw/zinc/50/71/71/556507171.db2.gz QYVZLODPMBUKRN-QGZVFWFLSA-N 1 1 486.037 5.440 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000002344467 569588264 /nfs/dbraw/zinc/58/82/64/569588264.db2.gz RNUWEULFCBQNDM-WDYNHAJCSA-N 1 1 494.595 5.940 50 0 JKAAMO CCCc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000054284490 569589713 /nfs/dbraw/zinc/58/97/13/569589713.db2.gz RAJJCHNKJRYVDC-UHFFFAOYSA-N 1 1 460.025 5.633 50 0 JKAAMO CC(C)(C)c1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284500 569589813 /nfs/dbraw/zinc/58/98/13/569589813.db2.gz GHGWPTNHRVIUCF-UHFFFAOYSA-N 1 1 494.470 6.323 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)ccc2c1NC(=O)C1CC1 ZINC000055245182 569591503 /nfs/dbraw/zinc/59/15/03/569591503.db2.gz ZHJMQWSPSOLCGV-HNNXBMFYSA-N 1 1 489.601 5.015 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)ccc2c1NC(=O)C1CC1 ZINC000055245182 569591504 /nfs/dbraw/zinc/59/15/04/569591504.db2.gz ZHJMQWSPSOLCGV-HNNXBMFYSA-N 1 1 489.601 5.015 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(Cl)c1Cl ZINC000055526918 569592058 /nfs/dbraw/zinc/59/20/58/569592058.db2.gz SJSYPDFUDPMWNK-UHFFFAOYSA-N 1 1 474.819 6.221 50 0 JKAAMO O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055526924 569592171 /nfs/dbraw/zinc/59/21/71/569592171.db2.gz KWKYSZUABVCBBV-UHFFFAOYSA-N 1 1 486.468 6.046 50 0 JKAAMO COc1ccc(-c2c(C)oc3c(C)c(OCC[NH+]4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 ZINC000057142628 569594631 /nfs/dbraw/zinc/59/46/31/569594631.db2.gz MZWOHMGREHTQQK-UHFFFAOYSA-N 1 1 484.596 5.286 50 0 biogenic JKAAMO Cc1sc2nc(CSc3ccccc3)nc(N3CC[NH+](Cc4ccncc4)CC3)c2c1C ZINC000057270823 569595286 /nfs/dbraw/zinc/59/52/86/569595286.db2.gz DVOQMPISYRMEIE-UHFFFAOYSA-N 1 1 461.660 5.318 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)cc1 ZINC000057286241 569595493 /nfs/dbraw/zinc/59/54/93/569595493.db2.gz JUZLAOASUYCTBO-SANMLTNESA-N 1 1 471.582 5.327 50 0 JKAAMO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057289902 569595699 /nfs/dbraw/zinc/59/56/99/569595699.db2.gz KOLZMRUESHLFSQ-AREMUKBSSA-N 1 1 457.574 5.040 50 0 JKAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)s1)c1ccccc1 ZINC000057292097 569595960 /nfs/dbraw/zinc/59/59/60/569595960.db2.gz SGQGBELKVPROSP-XMMPIXPASA-N 1 1 463.628 6.048 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722166 569598839 /nfs/dbraw/zinc/59/88/39/569598839.db2.gz PUCRWIJBEXLCOR-DEOSSOPVSA-N 1 1 490.032 5.308 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000008722166 569598841 /nfs/dbraw/zinc/59/88/41/569598841.db2.gz PUCRWIJBEXLCOR-DEOSSOPVSA-N 1 1 490.032 5.308 50 0 JKAAMO CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722575 569599012 /nfs/dbraw/zinc/59/90/12/569599012.db2.gz ZESDWBJBRODFIF-SANMLTNESA-N 1 1 469.610 5.712 50 0 JKAAMO CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000008722575 569599013 /nfs/dbraw/zinc/59/90/13/569599013.db2.gz ZESDWBJBRODFIF-SANMLTNESA-N 1 1 469.610 5.712 50 0 JKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000032974932 569605930 /nfs/dbraw/zinc/60/59/30/569605930.db2.gz GQGLCICRAYMELE-UHFFFAOYSA-N 1 1 466.629 5.419 50 0 JKAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983917 569607192 /nfs/dbraw/zinc/60/71/92/569607192.db2.gz CSEGIVFAYHEHFO-PPEIKGMUSA-N 1 1 490.003 5.352 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983999 569607257 /nfs/dbraw/zinc/60/72/57/569607257.db2.gz PVELPIPJAPJQTR-SSHUPFPWSA-N 1 1 467.997 5.096 50 0 JKAAMO CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000032986748 569609026 /nfs/dbraw/zinc/60/90/26/569609026.db2.gz XCLUWBQIGRPXAR-UHFFFAOYSA-N 1 1 469.560 5.398 50 0 JKAAMO Cc1ccc(-c2ccc(Nc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)nn2)cc1 ZINC000032995665 569610279 /nfs/dbraw/zinc/61/02/79/569610279.db2.gz IQSHXVHSEDXWDV-UHFFFAOYSA-N 1 1 463.585 5.154 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000032997032 569610903 /nfs/dbraw/zinc/61/09/03/569610903.db2.gz OKRCRRFUQSJVRS-UHFFFAOYSA-N 1 1 451.574 5.139 50 0 JKAAMO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+](Cc1cccs1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000063515025 569615333 /nfs/dbraw/zinc/61/53/33/569615333.db2.gz IFSDOOFDLSFPBE-VWLOTQADSA-N 1 1 489.106 6.256 50 0 JKAAMO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+](Cc1cccs1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000063515024 569615338 /nfs/dbraw/zinc/61/53/38/569615338.db2.gz IFSDOOFDLSFPBE-RUZDIDTESA-N 1 1 489.106 6.256 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000064472984 569617770 /nfs/dbraw/zinc/61/77/70/569617770.db2.gz OVYXTKUMEKNJBE-UHFFFAOYSA-N 1 1 469.564 5.278 50 0 JKAAMO CC[N@@H+](CCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000064472991 569617831 /nfs/dbraw/zinc/61/78/31/569617831.db2.gz YQFIEXNPTMLJLQ-UHFFFAOYSA-N 1 1 451.574 5.139 50 0 JKAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666425 569623773 /nfs/dbraw/zinc/62/37/73/569623773.db2.gz JJQHPANFCZTJIG-FQEVSTJZSA-N 1 1 467.038 5.596 50 0 JKAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]c(C)n1 ZINC000033326878 569624114 /nfs/dbraw/zinc/62/41/14/569624114.db2.gz BWESHKCQMNQZHT-UHFFFAOYSA-N 1 1 479.528 5.194 50 0 JKAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(OC(C)C)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746065 569625194 /nfs/dbraw/zinc/62/51/94/569625194.db2.gz JECDPSSOXMKUQL-UHFFFAOYSA-N 1 1 468.671 5.132 50 0 JKAAMO Cc1ccc(-c2nc3sc(N4CC[NH+](Cc5ccccc5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746737 569625682 /nfs/dbraw/zinc/62/56/82/569625682.db2.gz BBGDBVHFFDALFF-UHFFFAOYSA-N 1 1 472.662 5.443 50 0 JKAAMO CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000064746780 569625725 /nfs/dbraw/zinc/62/57/25/569625725.db2.gz LINLNDBSSXVXKO-UHFFFAOYSA-N 1 1 464.614 5.130 50 0 JKAAMO COc1ccc(OC)c([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000064790091 569628638 /nfs/dbraw/zinc/62/86/38/569628638.db2.gz GKLLRRPXGAHZMO-QHCPKHFHSA-N 1 1 463.559 5.824 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801382 569631368 /nfs/dbraw/zinc/63/13/68/569631368.db2.gz DJXXBPGJZDEQEQ-UHFFFAOYSA-N 1 1 450.974 6.571 50 0 JKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1Cl ZINC000064801530 569631380 /nfs/dbraw/zinc/63/13/80/569631380.db2.gz HVNJOYSJYVNSAN-UHFFFAOYSA-N 1 1 466.973 5.825 50 0 JKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800963 569631453 /nfs/dbraw/zinc/63/14/53/569631453.db2.gz WDDKCHHRZFTBAD-UHFFFAOYSA-N 1 1 455.484 5.790 50 0 JKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801818 569631506 /nfs/dbraw/zinc/63/15/06/569631506.db2.gz ZYEXZEVXVQNFGV-UHFFFAOYSA-N 1 1 478.405 5.236 50 0 JKAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1C ZINC000064802029 569631873 /nfs/dbraw/zinc/63/18/73/569631873.db2.gz XOIWTFORFCPVER-UHFFFAOYSA-N 1 1 481.622 5.391 50 0 JKAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c(C)c1C ZINC000064802202 569631912 /nfs/dbraw/zinc/63/19/12/569631912.db2.gz GLFRVCPZWZFPOA-UHFFFAOYSA-N 1 1 495.649 5.699 50 0 JKAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c(C)cc1C ZINC000064802184 569631956 /nfs/dbraw/zinc/63/19/56/569631956.db2.gz HSIAISCNFGDIHX-UHFFFAOYSA-N 1 1 495.649 5.699 50 0 JKAAMO COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c1 ZINC000064814517 569632220 /nfs/dbraw/zinc/63/22/20/569632220.db2.gz QQFDTDRULDVYGD-UHFFFAOYSA-N 1 1 467.595 5.083 50 0 JKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033912334 569637517 /nfs/dbraw/zinc/63/75/17/569637517.db2.gz DNSDVZRCKQMJSK-IFMALSPDSA-N 1 1 495.733 6.663 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033912334 569637518 /nfs/dbraw/zinc/63/75/18/569637518.db2.gz DNSDVZRCKQMJSK-IFMALSPDSA-N 1 1 495.733 6.663 50 0 JKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccccc1 ZINC000034667459 569640449 /nfs/dbraw/zinc/64/04/49/569640449.db2.gz IODZPVPNZNJXAE-FWUCURJTSA-N 1 1 494.610 6.057 50 0 JKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccccc1 ZINC000034667459 569640450 /nfs/dbraw/zinc/64/04/50/569640450.db2.gz IODZPVPNZNJXAE-FWUCURJTSA-N 1 1 494.610 6.057 50 0 JKAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)CC1 ZINC000034668205 569640537 /nfs/dbraw/zinc/64/05/37/569640537.db2.gz AXSHBYZTGUZTBX-FQEVSTJZSA-N 1 1 464.009 5.162 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668374 569640609 /nfs/dbraw/zinc/64/06/09/569640609.db2.gz YFEJBIUKIBJTLC-UHFFFAOYSA-N 1 1 471.498 5.097 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671640 569640711 /nfs/dbraw/zinc/64/07/11/569640711.db2.gz QPSONGGBLIJULB-WDYNHAJCSA-N 1 1 472.629 5.063 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034669767 569640725 /nfs/dbraw/zinc/64/07/25/569640725.db2.gz DUUKCQMWHIVBKA-PXDATVDWSA-N 1 1 488.500 6.253 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)c1 ZINC000034669814 569640746 /nfs/dbraw/zinc/64/07/46/569640746.db2.gz QRDBQBIDDYPYCH-ZEQKJWHPSA-N 1 1 482.546 5.984 50 0 JKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671633 569640801 /nfs/dbraw/zinc/64/08/01/569640801.db2.gz CAERHAIDLRUAHF-XZWHSSHBSA-N 1 1 470.657 6.072 50 0 JKAAMO COc1ccc(NC(=O)COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)cc1 ZINC000034671485 569640807 /nfs/dbraw/zinc/64/08/07/569640807.db2.gz GKIWPGGGIFMGPS-HKBQPEDESA-N 1 1 478.592 5.860 50 0 JKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671650 569640962 /nfs/dbraw/zinc/64/09/62/569640962.db2.gz WIGVXPPVVIUFFQ-JSOSNVBQSA-N 1 1 494.635 6.210 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671798 569640982 /nfs/dbraw/zinc/64/09/82/569640982.db2.gz DREKGJYPYNMQQH-UKJJDJLKSA-N 1 1 490.647 6.226 50 0 JKAAMO CC(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(Cl)cc4)co3)CC2)cc1 ZINC000034678297 569642343 /nfs/dbraw/zinc/64/23/43/569642343.db2.gz HLGPVTJKBYIMDJ-UHFFFAOYSA-N 1 1 452.986 5.022 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681623 569643288 /nfs/dbraw/zinc/64/32/88/569643288.db2.gz TYMUJSFQEFUHNA-UHFFFAOYSA-N 1 1 472.486 5.204 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681620 569643311 /nfs/dbraw/zinc/64/33/11/569643311.db2.gz RVQZSZKINQSJBB-UHFFFAOYSA-N 1 1 454.496 5.065 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681622 569643353 /nfs/dbraw/zinc/64/33/53/569643353.db2.gz XCOCDRSCJDLQMZ-UHFFFAOYSA-N 1 1 490.476 5.343 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681622 569643354 /nfs/dbraw/zinc/64/33/54/569643354.db2.gz XCOCDRSCJDLQMZ-UHFFFAOYSA-N 1 1 490.476 5.343 50 0 JKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1 ZINC000034681877 569643597 /nfs/dbraw/zinc/64/35/97/569643597.db2.gz JQCARRYDFJNYKQ-DEOSSOPVSA-N 1 1 463.025 5.580 50 0 JKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1ccccc1 ZINC000034681886 569643603 /nfs/dbraw/zinc/64/36/03/569643603.db2.gz XTPJLBMZTVZOFW-RUZDIDTESA-N 1 1 496.577 5.945 50 0 JKAAMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034681802 569643615 /nfs/dbraw/zinc/64/36/15/569643615.db2.gz MICAXVVTEXVJDC-UHFFFAOYSA-N 1 1 458.606 5.178 50 0 JKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)cc1 ZINC000034681928 569643703 /nfs/dbraw/zinc/64/37/03/569643703.db2.gz ABRRNZYEGGOSCW-UHFFFAOYSA-N 1 1 464.560 5.448 50 0 JKAAMO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034682810 569644098 /nfs/dbraw/zinc/64/40/98/569644098.db2.gz SARXTJHCKUZSRA-UHFFFAOYSA-N 1 1 468.519 6.025 50 0 JKAAMO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034682897 569644171 /nfs/dbraw/zinc/64/41/71/569644171.db2.gz UBEATOKPTDXCIK-UHFFFAOYSA-N 1 1 470.510 6.464 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c(OC)c1OC ZINC000034683474 569644245 /nfs/dbraw/zinc/64/42/45/569644245.db2.gz RKXBPDFYSXREBH-UHFFFAOYSA-N 1 1 466.603 5.085 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)c(OC)c1OC ZINC000034683367 569644321 /nfs/dbraw/zinc/64/43/21/569644321.db2.gz FGYZWLATVZVSMT-UHFFFAOYSA-N 1 1 474.601 5.332 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683558 569644519 /nfs/dbraw/zinc/64/45/19/569644519.db2.gz FFBQDKRWDYDQNV-UHFFFAOYSA-N 1 1 478.564 5.163 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683769 569644696 /nfs/dbraw/zinc/64/46/96/569644696.db2.gz FRSURFQRRFWEKT-UHFFFAOYSA-N 1 1 455.023 5.508 50 0 JKAAMO 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CCCC[C@@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830476 569663968 /nfs/dbraw/zinc/66/39/68/569663968.db2.gz YFBGMVCZRADOID-ZBLYBZFDSA-N 1 1 499.696 5.112 50 0 JKAAMO CCN1CCN(c2c(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836368 569665285 /nfs/dbraw/zinc/66/52/85/569665285.db2.gz NNAKCTAKSQQJJL-UHFFFAOYSA-N 1 1 477.672 5.428 50 0 JKAAMO CCN1CCN(c2c(C[N@H+](Cc3ccc(C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836368 569665286 /nfs/dbraw/zinc/66/52/86/569665286.db2.gz NNAKCTAKSQQJJL-UHFFFAOYSA-N 1 1 477.672 5.428 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1ccccc1C)C(C)C ZINC000034836647 569665984 /nfs/dbraw/zinc/66/59/84/569665984.db2.gz MWRPHKYSXVISPE-UHFFFAOYSA-N 1 1 459.682 5.214 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CC)C[C@H](C)c1ccccc1 ZINC000034836750 569666046 /nfs/dbraw/zinc/66/60/46/569666046.db2.gz MDTYBSAAIQUVHH-DEOSSOPVSA-N 1 1 459.682 5.121 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](Cc1ccc(C)cc1)C(C)C ZINC000034836808 569666177 /nfs/dbraw/zinc/66/61/77/569666177.db2.gz GSNBNWGDUZUOBS-UHFFFAOYSA-N 1 1 459.682 5.296 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](Cc1ccc(C)cc1)C(C)C ZINC000034836808 569666178 /nfs/dbraw/zinc/66/61/78/569666178.db2.gz GSNBNWGDUZUOBS-UHFFFAOYSA-N 1 1 459.682 5.296 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccccc1C ZINC000034836905 569666399 /nfs/dbraw/zinc/66/63/99/569666399.db2.gz YLONDXGLKFJIHO-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccccc1C ZINC000034836905 569666400 /nfs/dbraw/zinc/66/64/00/569666400.db2.gz YLONDXGLKFJIHO-UHFFFAOYSA-N 1 1 459.682 5.297 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@H+](CCCc1ccccc1)C1CC1 ZINC000034836949 569666489 /nfs/dbraw/zinc/66/64/89/569666489.db2.gz MVTDEFWOMVALBJ-UHFFFAOYSA-N 1 1 471.693 5.174 50 0 JKAAMO CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1C[N@@H+](CCCc1ccccc1)C1CC1 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/nfs/dbraw/zinc/69/39/92/569693992.db2.gz BJGFSRRVIKPVML-QHCPKHFHSA-N 1 1 460.647 5.904 50 0 JKAAMO CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CC[N@@H+](C)C3 ZINC000035426969 569693993 /nfs/dbraw/zinc/69/39/93/569693993.db2.gz BJGFSRRVIKPVML-QHCPKHFHSA-N 1 1 460.647 5.904 50 0 JKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@@H+](C)CC4)cc1Cl ZINC000035426953 569694012 /nfs/dbraw/zinc/69/40/12/569694012.db2.gz CZZOAUNZMSALCP-AWEZNQCLSA-N 1 1 487.025 5.306 50 0 JKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@H+](C)CC4)cc1Cl ZINC000035426953 569694013 /nfs/dbraw/zinc/69/40/13/569694013.db2.gz CZZOAUNZMSALCP-AWEZNQCLSA-N 1 1 487.025 5.306 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC[N@H+](C)C3 ZINC000035426959 569694053 /nfs/dbraw/zinc/69/40/53/569694053.db2.gz UHVGDOIWPIZYJJ-LJQANCHMSA-N 1 1 496.633 5.051 50 0 JKAAMO CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC[N@@H+](C)C3 ZINC000035426959 569694054 /nfs/dbraw/zinc/69/40/54/569694054.db2.gz UHVGDOIWPIZYJJ-LJQANCHMSA-N 1 1 496.633 5.051 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427000 569694087 /nfs/dbraw/zinc/69/40/87/569694087.db2.gz LQLZEZQQHFGNTL-VWLOTQADSA-N 1 1 489.044 6.317 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427000 569694088 /nfs/dbraw/zinc/69/40/88/569694088.db2.gz LQLZEZQQHFGNTL-VWLOTQADSA-N 1 1 489.044 6.317 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427400 569694168 /nfs/dbraw/zinc/69/41/68/569694168.db2.gz TUNZHUPBYOLNQX-NDEPHWFRSA-N 1 1 496.680 6.040 50 0 JKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)cc1 ZINC000035427081 569694204 /nfs/dbraw/zinc/69/42/04/569694204.db2.gz HOEAIYZZUAUXST-MHZLTWQESA-N 1 1 498.652 6.063 50 0 JKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)cc1 ZINC000035427081 569694205 /nfs/dbraw/zinc/69/42/05/569694205.db2.gz HOEAIYZZUAUXST-MHZLTWQESA-N 1 1 498.652 6.063 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427031 569694222 /nfs/dbraw/zinc/69/42/22/569694222.db2.gz APNVMHPVLPAPBW-VWLOTQADSA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427031 569694223 /nfs/dbraw/zinc/69/42/23/569694223.db2.gz APNVMHPVLPAPBW-VWLOTQADSA-N 1 1 495.092 6.127 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427102 569694267 /nfs/dbraw/zinc/69/42/67/569694267.db2.gz YPBJYDPFLFBGRV-VWLOTQADSA-N 1 1 460.647 5.474 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NC2CCCCC2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427102 569694268 /nfs/dbraw/zinc/69/42/68/569694268.db2.gz YPBJYDPFLFBGRV-VWLOTQADSA-N 1 1 460.647 5.474 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427394 569694272 /nfs/dbraw/zinc/69/42/72/569694272.db2.gz LLQUPOOJPNKLLE-MUUNZHRXSA-N 1 1 496.680 6.671 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427094 569694319 /nfs/dbraw/zinc/69/43/19/569694319.db2.gz DYASWTIAHNIFHE-VWLOTQADSA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427094 569694321 /nfs/dbraw/zinc/69/43/21/569694321.db2.gz DYASWTIAHNIFHE-VWLOTQADSA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427050 569694339 /nfs/dbraw/zinc/69/43/39/569694339.db2.gz QHTKRPMGOXAVMC-VWLOTQADSA-N 1 1 490.579 5.942 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427050 569694340 /nfs/dbraw/zinc/69/43/40/569694340.db2.gz QHTKRPMGOXAVMC-VWLOTQADSA-N 1 1 490.579 5.942 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427450 569694418 /nfs/dbraw/zinc/69/44/18/569694418.db2.gz SGHROLYPANIDSO-SANMLTNESA-N 1 1 486.616 6.193 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427445 569694454 /nfs/dbraw/zinc/69/44/54/569694454.db2.gz XJIYUENXQJYOBD-VWLOTQADSA-N 1 1 462.663 5.578 50 0 JKAAMO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072328643 569702440 /nfs/dbraw/zinc/70/24/40/569702440.db2.gz CRLOYHMBWMIFPZ-UHFFFAOYSA-N 1 1 456.977 5.278 50 0 JKAAMO COc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c(C)cc(F)cc12 ZINC000072328784 569702584 /nfs/dbraw/zinc/70/25/84/569702584.db2.gz KXMIGZBQRNCXAF-UHFFFAOYSA-N 1 1 469.560 5.238 50 0 JKAAMO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079191588 569707186 /nfs/dbraw/zinc/70/71/86/569707186.db2.gz WPEHEVJHESFRGZ-WXVAWEFUSA-N 1 1 498.623 5.746 50 0 biogenic JKAAMO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000084522276 569709294 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OFCWEYKWPMABAI-MHZLTWQESA-N 1 1 450.598 5.559 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035840879 569713941 /nfs/dbraw/zinc/71/39/41/569713941.db2.gz JMTYEKBMRYKCGH-VWLOTQADSA-N 1 1 474.567 5.762 50 0 JKAAMO Cc1ccccc1C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC1CCCCC1 ZINC000035841227 569713965 /nfs/dbraw/zinc/71/39/65/569713965.db2.gz FORILEVUNOYKBR-UHFFFAOYSA-N 1 1 454.580 7.446 50 0 JKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CC ZINC000035842630 569714174 /nfs/dbraw/zinc/71/41/74/569714174.db2.gz BMFMQWJVDVDFOY-MHZLTWQESA-N 1 1 491.720 5.910 50 0 JKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843614 569714607 /nfs/dbraw/zinc/71/46/07/569714607.db2.gz GZURJDRUYWLODB-NRFANRHFSA-N 1 1 451.405 5.073 50 0 JKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844689 569715153 /nfs/dbraw/zinc/71/51/53/569715153.db2.gz PXOKFDOQQCPBOB-GOSISDBHSA-N 1 1 450.495 6.880 50 0 JKAAMO COC(=O)c1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@H](C)C(C)C)c1 ZINC000035844699 569715237 /nfs/dbraw/zinc/71/52/37/569715237.db2.gz CPONKIKWFCMBNB-HXUWFJFHSA-N 1 1 472.551 6.389 50 0 JKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844690 569715267 /nfs/dbraw/zinc/71/52/67/569715267.db2.gz PXOKFDOQQCPBOB-SFHVURJKSA-N 1 1 450.495 6.880 50 0 JKAAMO COCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844841 569715443 /nfs/dbraw/zinc/71/54/43/569715443.db2.gz KMMARBIIZIQKBP-UHFFFAOYSA-N 1 1 488.550 5.327 50 0 JKAAMO COCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844841 569715444 /nfs/dbraw/zinc/71/54/44/569715444.db2.gz KMMARBIIZIQKBP-UHFFFAOYSA-N 1 1 488.550 5.327 50 0 JKAAMO CCCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844994 569715812 /nfs/dbraw/zinc/71/58/12/569715812.db2.gz OUQQAVSMTAIBRS-UHFFFAOYSA-N 1 1 488.716 7.149 50 0 JKAAMO COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085879240 569716234 /nfs/dbraw/zinc/71/62/34/569716234.db2.gz UUBUGWBCOVAQKJ-JYFHCDHNSA-N 1 1 471.601 5.095 50 0 biogenic JKAAMO CCc1cccc2c([C@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888834 569721364 /nfs/dbraw/zinc/72/13/64/569721364.db2.gz GCVLDSBKQNGWON-SQJMNOBHSA-N 1 1 491.676 5.650 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888832 569721376 /nfs/dbraw/zinc/72/13/76/569721376.db2.gz GCVLDSBKQNGWON-OFVILXPXSA-N 1 1 491.676 5.650 50 0 JKAAMO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000035891495 569721977 /nfs/dbraw/zinc/72/19/77/569721977.db2.gz SAUBMGDTXYJAHT-SANMLTNESA-N 1 1 497.639 5.062 50 0 JKAAMO Cc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cn(C)c3ccccc23)cc1 ZINC000035891621 569722141 /nfs/dbraw/zinc/72/21/41/569722141.db2.gz NNNVCCDNYPOPDS-HHHXNRCGSA-N 1 1 451.614 5.353 50 0 JKAAMO CC(C)Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035892823 569722598 /nfs/dbraw/zinc/72/25/98/569722598.db2.gz WCTBWTOGXGOKJF-GOSISDBHSA-N 1 1 452.643 5.476 50 0 JKAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035907816 569723503 /nfs/dbraw/zinc/72/35/03/569723503.db2.gz BCYNWSGEAWBBGC-ZCYQVOJMSA-N 1 1 471.567 5.017 50 0 JKAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035907994 569723579 /nfs/dbraw/zinc/72/35/79/569723579.db2.gz NKILUCCJUQDYIG-ISKFKSNPSA-N 1 1 491.623 5.121 50 0 JKAAMO CC[C@H](C)Oc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2Cc1ccccc1 ZINC000035908487 569724196 /nfs/dbraw/zinc/72/41/96/569724196.db2.gz ZAADBDYQTLHLRV-DEOSSOPVSA-N 1 1 481.640 5.825 50 0 JKAAMO COc1cccc([C@H](CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000035910717 569725946 /nfs/dbraw/zinc/72/59/46/569725946.db2.gz JAMXHXVUHRCKPC-REWPJTCUSA-N 1 1 463.622 5.088 50 0 JKAAMO Cc1ncc(C[N@H+]2CCc3ccccc3C2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095549594 569727445 /nfs/dbraw/zinc/72/74/45/569727445.db2.gz ZNPDAVPDVCPBNF-UHFFFAOYSA-N 1 1 466.493 5.197 50 0 biogenic JKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CC5)CC4)n3c2)c1 ZINC000095597827 569728008 /nfs/dbraw/zinc/72/80/08/569728008.db2.gz YYAAUDQNJYJPAZ-UHFFFAOYSA-N 1 1 450.586 5.031 50 0 JKAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000035924670 569728168 /nfs/dbraw/zinc/72/81/68/569728168.db2.gz LBHPORRJVJQLAK-UHFFFAOYSA-N 1 1 472.612 5.174 50 0 JKAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035924698 569728213 /nfs/dbraw/zinc/72/82/13/569728213.db2.gz APHLNMBOYBMAHW-UHFFFAOYSA-N 1 1 468.649 5.487 50 0 JKAAMO c1ccc(C2(c3ccccc3)O[P@@H+](N3c4ccccc4C=Cc4ccccc43)N3CCC[C@H]32)cc1 ZINC000095641918 569728342 /nfs/dbraw/zinc/72/83/42/569728342.db2.gz YJODLCFYUSLBIR-KIYCQYGCSA-N 1 1 474.544 7.974 50 0 JKAAMO c1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCC[N@H+](Cc4ccccc4)CC3)c12 ZINC000035925670 569728954 /nfs/dbraw/zinc/72/89/54/569728954.db2.gz FGDURVHYQOHQAX-UHFFFAOYSA-N 1 1 474.612 5.119 50 0 JKAAMO Cc1cc(OC2=CC[N@@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F ZINC000095918221 569729712 /nfs/dbraw/zinc/72/97/12/569729712.db2.gz KAXZGULZKCCOMC-UHFFFAOYSA-N 1 1 451.532 6.993 50 0 JKAAMO CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2Cc1ccccc1C ZINC000035927930 569730616 /nfs/dbraw/zinc/73/06/16/569730616.db2.gz MFKPJYNLTBQLDU-UHFFFAOYSA-N 1 1 467.613 5.355 50 0 JKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000035927815 569730648 /nfs/dbraw/zinc/73/06/48/569730648.db2.gz ZEUMBYNQTBMBKI-UHFFFAOYSA-N 1 1 488.639 5.427 50 0 JKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccco4)CC3)n2)cc1 ZINC000035927813 569730674 /nfs/dbraw/zinc/73/06/74/569730674.db2.gz TUHVJFDUDPTWQD-UHFFFAOYSA-N 1 1 478.600 5.020 50 0 JKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4cccs4)CC3)n2)cc1 ZINC000035927817 569730710 /nfs/dbraw/zinc/73/07/10/569730710.db2.gz SYAMJGSKVSWEPU-UHFFFAOYSA-N 1 1 494.668 5.489 50 0 JKAAMO CCSc1ccccc1N1CC[NH+](CCCN2C(=O)C[C@H](c3cccc4ccccc43)C2=O)CC1 ZINC000096027646 569732154 /nfs/dbraw/zinc/73/21/54/569732154.db2.gz HJCGEPGKTULEQW-RUZDIDTESA-N 1 1 487.669 5.007 50 0 JKAAMO C[N@H+]1CC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)C1 ZINC000096028150 569732161 /nfs/dbraw/zinc/73/21/61/569732161.db2.gz OTWUBKBEXROCOU-GDLZYMKVSA-N 1 1 461.605 6.052 50 0 JKAAMO Cc1ncc(C[N@H+]2CCCC[C@@H]2CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116477 569735514 /nfs/dbraw/zinc/73/55/14/569735514.db2.gz NLKDRXVWMDUWSV-OAQYLSRUSA-N 1 1 458.558 5.135 50 0 biogenic JKAAMO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000096280549 569740043 /nfs/dbraw/zinc/74/00/43/569740043.db2.gz UEYGUVPBPJQZSD-GDLZYMKVSA-N 1 1 452.554 5.123 50 0 JKAAMO COc1ccc2c(c1CSc1ccccn1)NC(=[NH2+])C1=COc3n[nH]c(-c4ccccc4)c3[C@@H]21 ZINC000096581876 569741759 /nfs/dbraw/zinc/74/17/59/569741759.db2.gz ONDFBZVBDPHIHB-NRFANRHFSA-N 1 1 467.554 5.183 50 0 JKAAMO Cn1cc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1cccc2Cl ZINC000096580975 569741831 /nfs/dbraw/zinc/74/18/31/569741831.db2.gz HKQBVKUUMQGFIX-MHZLTWQESA-N 1 1 464.440 6.392 50 0 JKAAMO Cn1cc(C[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c1cccc2Cl ZINC000096580975 569741832 /nfs/dbraw/zinc/74/18/32/569741832.db2.gz HKQBVKUUMQGFIX-MHZLTWQESA-N 1 1 464.440 6.392 50 0 JKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031497 569752039 /nfs/dbraw/zinc/75/20/39/569752039.db2.gz AOILCUQZOFFTFQ-HSZRJFAPSA-N 1 1 453.966 5.128 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036041080 569753741 /nfs/dbraw/zinc/75/37/41/569753741.db2.gz SUVZYNGMHVHTFG-VWLOTQADSA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036041080 569753742 /nfs/dbraw/zinc/75/37/42/569753742.db2.gz SUVZYNGMHVHTFG-VWLOTQADSA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042951 569754441 /nfs/dbraw/zinc/75/44/41/569754441.db2.gz XEIRPBGTOLVZBH-WINIVTDRSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042951 569754442 /nfs/dbraw/zinc/75/44/42/569754442.db2.gz XEIRPBGTOLVZBH-WINIVTDRSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043239 569754692 /nfs/dbraw/zinc/75/46/92/569754692.db2.gz VQPOXCASLNUCCA-CCLHPLFOSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043239 569754694 /nfs/dbraw/zinc/75/46/94/569754694.db2.gz VQPOXCASLNUCCA-CCLHPLFOSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)Nc1ccc(C)cc1)[N@H+](Cc1ccccc1)CC2 ZINC000036043241 569754728 /nfs/dbraw/zinc/75/47/28/569754728.db2.gz VQPOXCASLNUCCA-DCFHFQCYSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1ccccc1)CC2 ZINC000036043241 569754730 /nfs/dbraw/zinc/75/47/30/569754730.db2.gz VQPOXCASLNUCCA-DCFHFQCYSA-N 1 1 459.590 5.322 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccccc1)CC2 ZINC000036043119 569754738 /nfs/dbraw/zinc/75/47/38/569754738.db2.gz PDDUFVRROQBVSL-DWXRJYCRSA-N 1 1 464.993 5.275 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccccc1)CC2 ZINC000036043119 569754740 /nfs/dbraw/zinc/75/47/40/569754740.db2.gz PDDUFVRROQBVSL-DWXRJYCRSA-N 1 1 464.993 5.275 50 0 JKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048341 569755778 /nfs/dbraw/zinc/75/57/78/569755778.db2.gz AGCDRCIEVWHYJQ-NAKRPHOHSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048341 569755780 /nfs/dbraw/zinc/75/57/80/569755780.db2.gz AGCDRCIEVWHYJQ-NAKRPHOHSA-N 1 1 474.601 5.020 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1Cl)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048268 569755821 /nfs/dbraw/zinc/75/58/21/569755821.db2.gz PHAKCBLKVZRTRB-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1Cl)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048268 569755823 /nfs/dbraw/zinc/75/58/23/569755823.db2.gz PHAKCBLKVZRTRB-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(Cl)cc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048272 569755843 /nfs/dbraw/zinc/75/58/43/569755843.db2.gz HXZJEEQFWHGIGM-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(Cl)cc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048272 569755845 /nfs/dbraw/zinc/75/58/45/569755845.db2.gz HXZJEEQFWHGIGM-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048291 569755917 /nfs/dbraw/zinc/75/59/17/569755917.db2.gz RJOICKOGJUHHBR-WNJJXGMVSA-N 1 1 488.628 5.329 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048291 569755918 /nfs/dbraw/zinc/75/59/18/569755918.db2.gz RJOICKOGJUHHBR-WNJJXGMVSA-N 1 1 488.628 5.329 50 0 JKAAMO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)o1 ZINC000036202593 569756996 /nfs/dbraw/zinc/75/69/96/569756996.db2.gz VKRXEIICKZTQFM-UHFFFAOYSA-N 1 1 451.513 6.154 50 0 JKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)o1 ZINC000036202593 569756997 /nfs/dbraw/zinc/75/69/97/569756997.db2.gz VKRXEIICKZTQFM-UHFFFAOYSA-N 1 1 451.513 6.154 50 0 JKAAMO CCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1OC ZINC000036202421 569757061 /nfs/dbraw/zinc/75/70/61/569757061.db2.gz ZHOHFYAIRMHWDN-UHFFFAOYSA-N 1 1 483.655 6.116 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1OC ZINC000036202421 569757062 /nfs/dbraw/zinc/75/70/62/569757062.db2.gz ZHOHFYAIRMHWDN-UHFFFAOYSA-N 1 1 483.655 6.116 50 0 JKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)o1 ZINC000036202566 569757089 /nfs/dbraw/zinc/75/70/89/569757089.db2.gz SGUQJUXKAZTPCK-UHFFFAOYSA-N 1 1 465.540 6.402 50 0 JKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@@H+](CCC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000036249751 569758032 /nfs/dbraw/zinc/75/80/32/569758032.db2.gz UWCHKQSLWHVZTA-AREMUKBSSA-N 1 1 497.655 5.753 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301565 569759015 /nfs/dbraw/zinc/75/90/15/569759015.db2.gz OPTWZYUKRXJALC-QHCPKHFHSA-N 1 1 451.611 5.123 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301563 569759043 /nfs/dbraw/zinc/75/90/43/569759043.db2.gz OPTWZYUKRXJALC-HSZRJFAPSA-N 1 1 451.611 5.123 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036301686 569759175 /nfs/dbraw/zinc/75/91/75/569759175.db2.gz BQOCKFNTVKCBQF-QFIPXVFZSA-N 1 1 488.028 5.244 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313046 569760645 /nfs/dbraw/zinc/76/06/45/569760645.db2.gz AEBKMWIKAWLQKO-RUZDIDTESA-N 1 1 475.633 5.292 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313659 569760771 /nfs/dbraw/zinc/76/07/71/569760771.db2.gz SYIJGPACDQZDTI-HSZRJFAPSA-N 1 1 463.622 5.751 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313663 569760887 /nfs/dbraw/zinc/76/08/87/569760887.db2.gz BNIMEAXHNKEFLC-DEOSSOPVSA-N 1 1 477.649 5.999 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313785 569761087 /nfs/dbraw/zinc/76/10/87/569761087.db2.gz WOKWODHSXXCWSG-LADGPHEKSA-N 1 1 495.664 5.666 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313812 569761096 /nfs/dbraw/zinc/76/10/96/569761096.db2.gz GLOLDEWTLYMMSI-QHCPKHFHSA-N 1 1 483.628 5.654 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313836 569761108 /nfs/dbraw/zinc/76/11/08/569761108.db2.gz NCWJRMHHTVHIHX-QHCPKHFHSA-N 1 1 469.601 5.408 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313810 569761114 /nfs/dbraw/zinc/76/11/14/569761114.db2.gz JRSXCCKQNVQJFH-JOCHJYFZSA-N 1 1 453.602 6.028 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313776 569761117 /nfs/dbraw/zinc/76/11/17/569761117.db2.gz HRHVYEBHBUUGSJ-QHCPKHFHSA-N 1 1 479.621 5.030 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313797 569761120 /nfs/dbraw/zinc/76/11/20/569761120.db2.gz UKTLQGMFGIMSNI-XMMPIXPASA-N 1 1 495.664 5.524 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313794 569761170 /nfs/dbraw/zinc/76/11/70/569761170.db2.gz AQDQFMZPGXOENC-QHCPKHFHSA-N 1 1 481.637 5.278 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313796 569761215 /nfs/dbraw/zinc/76/12/15/569761215.db2.gz GJULVXIDBGXJNC-HSZRJFAPSA-N 1 1 465.638 5.897 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313880 569761370 /nfs/dbraw/zinc/76/13/70/569761370.db2.gz NFHVZTXBYIOZJI-HSZRJFAPSA-N 1 1 469.601 5.366 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313880 569761372 /nfs/dbraw/zinc/76/13/72/569761372.db2.gz NFHVZTXBYIOZJI-HSZRJFAPSA-N 1 1 469.601 5.366 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313905 569761396 /nfs/dbraw/zinc/76/13/96/569761396.db2.gz GGSOLJOWMKNCKI-QHCPKHFHSA-N 1 1 451.611 5.743 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036313884 569761399 /nfs/dbraw/zinc/76/13/99/569761399.db2.gz HZVGACBHFBDLMR-RSXGOPAZSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036313884 569761400 /nfs/dbraw/zinc/76/14/00/569761400.db2.gz HZVGACBHFBDLMR-RSXGOPAZSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313898 569761412 /nfs/dbraw/zinc/76/14/12/569761412.db2.gz ZQQNHSKXBZAYCK-QHCPKHFHSA-N 1 1 487.591 5.641 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313857 569761430 /nfs/dbraw/zinc/76/14/30/569761430.db2.gz SAUPBZDTCOZYDY-RUZDIDTESA-N 1 1 498.067 6.016 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccccc1 ZINC000036313904 569761433 /nfs/dbraw/zinc/76/14/33/569761433.db2.gz HKRANDFEPJXINE-HHHXNRCGSA-N 1 1 499.655 6.535 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccccc1 ZINC000036313904 569761434 /nfs/dbraw/zinc/76/14/34/569761434.db2.gz HKRANDFEPJXINE-HHHXNRCGSA-N 1 1 499.655 6.535 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036313910 569761451 /nfs/dbraw/zinc/76/14/51/569761451.db2.gz GEKJKHWXWRPTMF-VWLOTQADSA-N 1 1 493.648 5.371 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313864 569761457 /nfs/dbraw/zinc/76/14/57/569761457.db2.gz SETWZSKKESSABC-HSZRJFAPSA-N 1 1 481.637 5.235 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313864 569761458 /nfs/dbraw/zinc/76/14/58/569761458.db2.gz SETWZSKKESSABC-HSZRJFAPSA-N 1 1 481.637 5.235 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036313887 569761484 /nfs/dbraw/zinc/76/14/84/569761484.db2.gz DWDLPEUWIQOQGD-QHCPKHFHSA-N 1 1 495.664 6.007 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313907 569761493 /nfs/dbraw/zinc/76/14/93/569761493.db2.gz DXSULZNXWARMBN-XMMPIXPASA-N 1 1 481.637 5.370 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313937 569761555 /nfs/dbraw/zinc/76/15/55/569761555.db2.gz CYVIRIYPURXVFU-HSZRJFAPSA-N 1 1 481.637 5.278 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036313984 569761609 /nfs/dbraw/zinc/76/16/09/569761609.db2.gz HSQKCDFHFOQSGV-QHCPKHFHSA-N 1 1 469.601 5.407 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313959 569761619 /nfs/dbraw/zinc/76/16/19/569761619.db2.gz AVRSNNZNMGPOPT-HSZRJFAPSA-N 1 1 481.637 5.278 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313971 569761673 /nfs/dbraw/zinc/76/16/73/569761673.db2.gz LHARKZGHRGUSJX-QFIPXVFZSA-N 1 1 455.574 5.018 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313923 569761685 /nfs/dbraw/zinc/76/16/85/569761685.db2.gz MFNYOZNNVBRIDJ-RUZDIDTESA-N 1 1 493.648 5.371 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316119 569762106 /nfs/dbraw/zinc/76/21/06/569762106.db2.gz YKLZDUXAEJEQMU-NRFANRHFSA-N 1 1 473.564 5.013 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316163 569762118 /nfs/dbraw/zinc/76/21/18/569762118.db2.gz YRLDUIXUIGNLAG-QHCPKHFHSA-N 1 1 499.602 5.403 50 0 JKAAMO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COc3ccccc3C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316026 569762121 /nfs/dbraw/zinc/76/21/21/569762121.db2.gz QICHOERVFPEYCW-SANMLTNESA-N 1 1 499.655 6.147 50 0 JKAAMO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316021 569762165 /nfs/dbraw/zinc/76/21/65/569762165.db2.gz NQBIKSXAQMYINF-RUZDIDTESA-N 1 1 485.628 5.838 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316243 569762370 /nfs/dbraw/zinc/76/23/70/569762370.db2.gz AQAKVZAHVKQSQX-HSZRJFAPSA-N 1 1 451.611 5.082 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036316231 569762394 /nfs/dbraw/zinc/76/23/94/569762394.db2.gz BFFBSJYCSBDBBQ-XMMPIXPASA-N 1 1 465.638 5.471 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316242 569762406 /nfs/dbraw/zinc/76/24/06/569762406.db2.gz AQAKVZAHVKQSQX-QHCPKHFHSA-N 1 1 451.611 5.082 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316185 569762409 /nfs/dbraw/zinc/76/24/09/569762409.db2.gz AOCMPTDXAUXDCI-QFIPXVFZSA-N 1 1 467.585 5.016 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316184 569762437 /nfs/dbraw/zinc/76/24/37/569762437.db2.gz AOCMPTDXAUXDCI-JOCHJYFZSA-N 1 1 467.585 5.016 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316290 569762511 /nfs/dbraw/zinc/76/25/11/569762511.db2.gz JWLNMDNBMHROPI-GMAHTHKFSA-N 1 1 451.611 5.225 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036316333 569762544 /nfs/dbraw/zinc/76/25/44/569762544.db2.gz CYUVIGGAGDCPHN-XMMPIXPASA-N 1 1 477.649 5.615 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036316319 569762562 /nfs/dbraw/zinc/76/25/62/569762562.db2.gz GHLZJJWAMDOAFO-GDLZYMKVSA-N 1 1 467.613 6.173 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000036316259 569762666 /nfs/dbraw/zinc/76/26/66/569762666.db2.gz CGTYQOKNFJADTL-RUZDIDTESA-N 1 1 485.628 5.877 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036316385 569762770 /nfs/dbraw/zinc/76/27/70/569762770.db2.gz GPQOEQJVGGEKFE-HSZRJFAPSA-N 1 1 495.664 5.622 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](CC(C)C)C[C@H](O)CC ZINC000036316350 569762815 /nfs/dbraw/zinc/76/28/15/569762815.db2.gz CXOJHLALXCQWBD-JOCHJYFZSA-N 1 1 451.611 5.465 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036316379 569762836 /nfs/dbraw/zinc/76/28/36/569762836.db2.gz FZJGEVIOCIPGJG-HSZRJFAPSA-N 1 1 481.637 5.232 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316422 569763019 /nfs/dbraw/zinc/76/30/19/569763019.db2.gz DTMKGEVMIOGNLU-XMMPIXPASA-N 1 1 493.648 5.378 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316422 569763020 /nfs/dbraw/zinc/76/30/20/569763020.db2.gz DTMKGEVMIOGNLU-XMMPIXPASA-N 1 1 493.648 5.378 50 0 JKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036316425 569763136 /nfs/dbraw/zinc/76/31/36/569763136.db2.gz OEIVMPKBYHQLTR-HSZRJFAPSA-N 1 1 481.637 5.234 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316556 569763177 /nfs/dbraw/zinc/76/31/77/569763177.db2.gz WZHHUNBEAQUHIS-HXUWFJFHSA-N 1 1 458.002 5.141 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036342023 569764996 /nfs/dbraw/zinc/76/49/96/569764996.db2.gz GMQXMKFODAEIIW-XMMPIXPASA-N 1 1 469.601 5.356 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036341985 569765067 /nfs/dbraw/zinc/76/50/67/569765067.db2.gz PNSFRKJRAJXYBE-DHLKQENFSA-N 1 1 495.664 5.616 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341973 569765133 /nfs/dbraw/zinc/76/51/33/569765133.db2.gz AETLXXHNRYRAJK-XMMPIXPASA-N 1 1 495.664 5.616 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341954 569765156 /nfs/dbraw/zinc/76/51/56/569765156.db2.gz XGQXMGZBDANYLB-HSZRJFAPSA-N 1 1 472.029 5.482 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342070 569765310 /nfs/dbraw/zinc/76/53/10/569765310.db2.gz HAZHDLFDAJMUBC-YKSBVNFPSA-N 1 1 469.601 5.499 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036342031 569765328 /nfs/dbraw/zinc/76/53/28/569765328.db2.gz DQXFHNOOOXGOSE-XMMPIXPASA-N 1 1 483.628 5.746 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342134 569765483 /nfs/dbraw/zinc/76/54/83/569765483.db2.gz SOHKEDIBRRLXAJ-MUUNZHRXSA-N 1 1 499.655 6.153 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342134 569765484 /nfs/dbraw/zinc/76/54/84/569765484.db2.gz SOHKEDIBRRLXAJ-MUUNZHRXSA-N 1 1 499.655 6.153 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036342125 569765492 /nfs/dbraw/zinc/76/54/92/569765492.db2.gz LKFKBIOFDUBFKV-XMMPIXPASA-N 1 1 481.612 5.500 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343785 569766562 /nfs/dbraw/zinc/76/65/62/569766562.db2.gz GBGAMAVUDNFLTH-NDEPHWFRSA-N 1 1 487.047 5.144 50 0 JKAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344368 569766855 /nfs/dbraw/zinc/76/68/55/569766855.db2.gz JMLLCHDWHNFIPW-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344368 569766856 /nfs/dbraw/zinc/76/68/56/569766856.db2.gz JMLLCHDWHNFIPW-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344470 569767105 /nfs/dbraw/zinc/76/71/05/569767105.db2.gz SZQZKXDSZXHBTH-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344470 569767106 /nfs/dbraw/zinc/76/71/06/569767106.db2.gz SZQZKXDSZXHBTH-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344662 569767235 /nfs/dbraw/zinc/76/72/35/569767235.db2.gz PHJAFURWAHIHMD-HKBQPEDESA-N 1 1 494.683 5.416 50 0 JKAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345488 569768046 /nfs/dbraw/zinc/76/80/46/569768046.db2.gz MFIWDBXLNIUAAI-SSEXGKCCSA-N 1 1 483.631 6.075 50 0 JKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345796 569768122 /nfs/dbraw/zinc/76/81/22/569768122.db2.gz HCPYUHIMJTZPNQ-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345796 569768123 /nfs/dbraw/zinc/76/81/23/569768123.db2.gz HCPYUHIMJTZPNQ-HHHXNRCGSA-N 1 1 471.601 5.130 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036345800 569768237 /nfs/dbraw/zinc/76/82/37/569768237.db2.gz RTSOXBRVGHZHTN-HSZRJFAPSA-N 1 1 469.601 5.362 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036345852 569768329 /nfs/dbraw/zinc/76/83/29/569768329.db2.gz BVOPHELQAZEIRI-MUUNZHRXSA-N 1 1 455.602 6.225 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036345855 569768353 /nfs/dbraw/zinc/76/83/53/569768353.db2.gz VNBVEVACDICEKP-NDEPHWFRSA-N 1 1 499.655 6.070 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036345894 569768359 /nfs/dbraw/zinc/76/83/59/569768359.db2.gz ZBJDRZMBQYECEW-XMMPIXPASA-N 1 1 463.622 5.422 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036345894 569768360 /nfs/dbraw/zinc/76/83/60/569768360.db2.gz ZBJDRZMBQYECEW-XMMPIXPASA-N 1 1 463.622 5.422 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)c1ccccc1 ZINC000036345908 569768428 /nfs/dbraw/zinc/76/84/28/569768428.db2.gz LSMXQIANMUILMV-MUUNZHRXSA-N 1 1 455.602 6.227 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036345911 569768602 /nfs/dbraw/zinc/76/86/02/569768602.db2.gz NJYNMSBGHMGZIV-NDEPHWFRSA-N 1 1 499.655 6.071 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036345949 569768679 /nfs/dbraw/zinc/76/86/79/569768679.db2.gz RYSVLAXRSDLODX-VWLOTQADSA-N 1 1 477.649 5.669 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036345941 569768695 /nfs/dbraw/zinc/76/86/95/569768695.db2.gz KNRAFISEBOJZQW-VWLOTQADSA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036346017 569768732 /nfs/dbraw/zinc/76/87/32/569768732.db2.gz ROOXPRLORQNTNE-DEOSSOPVSA-N 1 1 487.575 5.516 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036346017 569768733 /nfs/dbraw/zinc/76/87/33/569768733.db2.gz ROOXPRLORQNTNE-DEOSSOPVSA-N 1 1 487.575 5.516 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346033 569768747 /nfs/dbraw/zinc/76/87/47/569768747.db2.gz OJJVSFJSJZPBNA-QFIPXVFZSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036346033 569768748 /nfs/dbraw/zinc/76/87/48/569768748.db2.gz OJJVSFJSJZPBNA-QFIPXVFZSA-N 1 1 467.585 5.253 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346060 569768769 /nfs/dbraw/zinc/76/87/69/569768769.db2.gz HEIDMPYZRQGRMS-HSZRJFAPSA-N 1 1 469.601 5.358 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346067 569768805 /nfs/dbraw/zinc/76/88/05/569768805.db2.gz DOCVRMWVNURADV-QFIPXVFZSA-N 1 1 469.601 5.500 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346088 569768823 /nfs/dbraw/zinc/76/88/23/569768823.db2.gz KBCFPAJDYUAWKF-SANMLTNESA-N 1 1 485.603 5.928 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346034 569768898 /nfs/dbraw/zinc/76/88/98/569768898.db2.gz OJJVSFJSJZPBNA-JOCHJYFZSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036346034 569768899 /nfs/dbraw/zinc/76/88/99/569768899.db2.gz OJJVSFJSJZPBNA-JOCHJYFZSA-N 1 1 467.585 5.253 50 0 JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CC4=C(CCCC4(C)C)C[C@H]1C)[N@H+](C)CC3)OCO2 ZINC000100757888 569768948 /nfs/dbraw/zinc/76/89/48/569768948.db2.gz NHRVEPPXQUAVEI-SSVXIMEWSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CC4=C(CCCC4(C)C)C[C@H]1C)[N@@H+](C)CC3)OCO2 ZINC000100757888 569768950 /nfs/dbraw/zinc/76/89/50/569768950.db2.gz NHRVEPPXQUAVEI-SSVXIMEWSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036346116 569768953 /nfs/dbraw/zinc/76/89/53/569768953.db2.gz VQLZBTYEGDPUGT-RUZDIDTESA-N 1 1 465.638 5.525 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346140 569769077 /nfs/dbraw/zinc/76/90/77/569769077.db2.gz JBHKNLOQHQPICZ-XMMPIXPASA-N 1 1 451.611 5.281 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346140 569769078 /nfs/dbraw/zinc/76/90/78/569769078.db2.gz JBHKNLOQHQPICZ-XMMPIXPASA-N 1 1 451.611 5.281 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346214 569769164 /nfs/dbraw/zinc/76/91/64/569769164.db2.gz XPAXBIYBLGQDHI-VWLOTQADSA-N 1 1 483.628 5.748 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036346221 569769298 /nfs/dbraw/zinc/76/92/98/569769298.db2.gz SROBGHKZHWUEQB-VWLOTQADSA-N 1 1 483.628 5.604 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346342 569769476 /nfs/dbraw/zinc/76/94/76/569769476.db2.gz VIULAZBSMAEKOM-SANMLTNESA-N 1 1 471.576 5.680 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346303 569769479 /nfs/dbraw/zinc/76/94/79/569769479.db2.gz CYVGNVBGJNGUTO-QHCPKHFHSA-N 1 1 469.601 5.499 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346344 569769776 /nfs/dbraw/zinc/76/97/76/569769776.db2.gz RPXBGPYEOPSYES-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346344 569769777 /nfs/dbraw/zinc/76/97/77/569769777.db2.gz RPXBGPYEOPSYES-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036346377 569769785 /nfs/dbraw/zinc/76/97/85/569769785.db2.gz MIZOPHAXMJVYCG-SANMLTNESA-N 1 1 473.592 5.928 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036346376 569769806 /nfs/dbraw/zinc/76/98/06/569769806.db2.gz MIZOPHAXMJVYCG-AREMUKBSSA-N 1 1 473.592 5.928 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346593 569770016 /nfs/dbraw/zinc/77/00/16/569770016.db2.gz GBHUHIMWJASHOS-HSZRJFAPSA-N 1 1 487.591 5.639 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036346636 569770330 /nfs/dbraw/zinc/77/03/30/569770330.db2.gz UDHQKCMABXASSS-HHHXNRCGSA-N 1 1 477.555 6.195 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346655 569770333 /nfs/dbraw/zinc/77/03/33/569770333.db2.gz LXACEASVEDFNSR-DEOSSOPVSA-N 1 1 487.591 5.497 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036346635 569770336 /nfs/dbraw/zinc/77/03/36/569770336.db2.gz UDHQKCMABXASSS-MHZLTWQESA-N 1 1 477.555 6.195 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346651 569770361 /nfs/dbraw/zinc/77/03/61/569770361.db2.gz KMTZRCANRMIKGI-QHCPKHFHSA-N 1 1 473.564 5.249 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346638 569770385 /nfs/dbraw/zinc/77/03/85/569770385.db2.gz VYIZGCSNSZCAFX-HSZRJFAPSA-N 1 1 473.564 5.248 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346634 569770423 /nfs/dbraw/zinc/77/04/23/569770423.db2.gz LBCYWJPDRPPCGH-HSZRJFAPSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346634 569770425 /nfs/dbraw/zinc/77/04/25/569770425.db2.gz LBCYWJPDRPPCGH-HSZRJFAPSA-N 1 1 473.564 5.251 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346722 569770528 /nfs/dbraw/zinc/77/05/28/569770528.db2.gz KIUWBHZQVJGARZ-SANMLTNESA-N 1 1 489.566 5.819 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346693 569770644 /nfs/dbraw/zinc/77/06/44/569770644.db2.gz ZKTQLNNZQBYZAS-QHCPKHFHSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346693 569770645 /nfs/dbraw/zinc/77/06/45/569770645.db2.gz ZKTQLNNZQBYZAS-QHCPKHFHSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346810 569770753 /nfs/dbraw/zinc/77/07/53/569770753.db2.gz KIWLJXMOGOOHCN-HHHXNRCGSA-N 1 1 483.656 6.741 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036346751 569770793 /nfs/dbraw/zinc/77/07/93/569770793.db2.gz CPTROJWXDUICOO-DEOSSOPVSA-N 1 1 487.591 5.497 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036346746 569770825 /nfs/dbraw/zinc/77/08/25/569770825.db2.gz CKXMLGAWMWUXSL-HSZRJFAPSA-N 1 1 473.564 5.249 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346771 569770858 /nfs/dbraw/zinc/77/08/58/569770858.db2.gz DDUDKQRIHNLZLJ-DEOSSOPVSA-N 1 1 465.638 5.432 50 0 JKAAMO Cn1ccnc1[C@@H](NC(=O)CCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1 ZINC000036397180 569775133 /nfs/dbraw/zinc/77/51/33/569775133.db2.gz WEPMXIABQHTPTA-QHCPKHFHSA-N 1 1 468.388 5.373 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000036628204 569779046 /nfs/dbraw/zinc/77/90/46/569779046.db2.gz MJZIRVQJLOGGGG-UHFFFAOYSA-N 1 1 491.570 5.497 50 0 JKAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037398417 569787207 /nfs/dbraw/zinc/78/72/07/569787207.db2.gz OGOOSQGAHQCGKS-NRFANRHFSA-N 1 1 459.421 5.049 50 0 JKAAMO Cc1ccc(-c2nnc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2-c2ccccc2C)cc1 ZINC000037398430 569787244 /nfs/dbraw/zinc/78/72/44/569787244.db2.gz RNBDPKSYPOIQDY-UHFFFAOYSA-N 1 1 497.668 5.231 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCn2c3cc(C)c(C)cc3nc2Cc2ccc(Cl)cc2Cl)CC1 ZINC000037399001 569787479 /nfs/dbraw/zinc/78/74/79/569787479.db2.gz JOIDHIZIGNOOPU-UHFFFAOYSA-N 1 1 473.448 5.105 50 0 JKAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2nc(-c3ccc(Cl)cc3)cs2)c2cccc(C)c2)CC1 ZINC000037438726 569790482 /nfs/dbraw/zinc/79/04/82/569790482.db2.gz JVEYXIVKOTVVJE-LJQANCHMSA-N 1 1 469.054 5.463 50 0 JKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c1 ZINC000037524005 569792790 /nfs/dbraw/zinc/79/27/90/569792790.db2.gz LLKDNABYKWXPPT-MFMCTBQISA-N 1 1 470.657 6.018 50 0 JKAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523701 569792836 /nfs/dbraw/zinc/79/28/36/569792836.db2.gz DHAGJVWJCBQOKF-XUZZJYLKSA-N 1 1 480.546 5.191 50 0 JKAAMO COc1cc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000037522846 569792884 /nfs/dbraw/zinc/79/28/84/569792884.db2.gz QOAJWOHRXQCGAB-LJAQVGFWSA-N 1 1 484.596 6.302 50 0 JKAAMO COc1cc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000037522846 569792885 /nfs/dbraw/zinc/79/28/85/569792885.db2.gz QOAJWOHRXQCGAB-LJAQVGFWSA-N 1 1 484.596 6.302 50 0 JKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000037523979 569792890 /nfs/dbraw/zinc/79/28/90/569792890.db2.gz YDVAVRUXNFOTJQ-GMAHTHKFSA-N 1 1 458.593 5.330 50 0 JKAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1C)C(=O)C(C)C ZINC000037523676 569792904 /nfs/dbraw/zinc/79/29/04/569792904.db2.gz XPEYLXKWZFOJEJ-RDGATRHJSA-N 1 1 476.583 5.360 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000037560562 569795609 /nfs/dbraw/zinc/79/56/09/569795609.db2.gz OFXDJYVOXKKNTK-UHFFFAOYSA-N 1 1 452.595 5.302 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037570702 569795886 /nfs/dbraw/zinc/79/58/86/569795886.db2.gz YEUDOOYIPNVTPN-UHFFFAOYSA-N 1 1 486.584 5.142 50 0 JKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037571124 569795925 /nfs/dbraw/zinc/79/59/25/569795925.db2.gz RIRHSAMXWTTXQP-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC000037580748 569796643 /nfs/dbraw/zinc/79/66/43/569796643.db2.gz JGCJNBKQHCANBE-UHFFFAOYSA-N 1 1 454.492 5.424 50 0 JKAAMO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037587627 569796757 /nfs/dbraw/zinc/79/67/57/569796757.db2.gz USWIILWOXDADOS-UHFFFAOYSA-N 1 1 450.529 5.593 50 0 JKAAMO Cc1cc([C@H](c2cccc(Br)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545900 569802472 /nfs/dbraw/zinc/80/24/72/569802472.db2.gz BZDWHUXXZNSKIK-FQEVSTJZSA-N 1 1 459.409 6.240 50 0 JKAAMO CCc1cc([C@@H](c2cc(OC)ccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545947 569802515 /nfs/dbraw/zinc/80/25/15/569802515.db2.gz LNSSSFJAZGDJDR-HSZRJFAPSA-N 1 1 454.592 5.748 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccccc2OC)CC1 ZINC000038546348 569802904 /nfs/dbraw/zinc/80/29/04/569802904.db2.gz SWWSLPTWEABHLK-QHCPKHFHSA-N 1 1 482.602 5.275 50 0 JKAAMO Cc1cc([C@H](c2cccc(Br)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546431 569803102 /nfs/dbraw/zinc/80/31/02/569803102.db2.gz UHSINCFNBMHXJJ-FQEVSTJZSA-N 1 1 474.424 5.001 50 0 JKAAMO Cc1cc([C@@H](c2cccc(Br)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546430 569803122 /nfs/dbraw/zinc/80/31/22/569803122.db2.gz UHSINCFNBMHXJJ-HXUWFJFHSA-N 1 1 474.424 5.001 50 0 JKAAMO CCc1cc([C@H](c2ccc(SC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546463 569803150 /nfs/dbraw/zinc/80/31/50/569803150.db2.gz LVVVLVLPZBYGON-QFIPXVFZSA-N 1 1 455.649 5.215 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546600 569803352 /nfs/dbraw/zinc/80/33/52/569803352.db2.gz IZLMTLQAASBAOX-QFIPXVFZSA-N 1 1 455.649 5.261 50 0 JKAAMO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000038546727 569803533 /nfs/dbraw/zinc/80/35/33/569803533.db2.gz LYFNOVFLXNXAQQ-QFIPXVFZSA-N 1 1 455.649 5.024 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1C ZINC000038546735 569803575 /nfs/dbraw/zinc/80/35/75/569803575.db2.gz YNCZICZOTRANFD-NRFANRHFSA-N 1 1 460.068 5.669 50 0 JKAAMO Cc1cccc(N[C@H](c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c2ccc3c(c2)OCO3)[nH+]1 ZINC000038547489 569803837 /nfs/dbraw/zinc/80/38/37/569803837.db2.gz SROHTCHNCGJNST-MHZLTWQESA-N 1 1 497.620 6.513 50 0 JKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000038547030 569803882 /nfs/dbraw/zinc/80/38/82/569803882.db2.gz ZMLAYIMPXCEWTK-VWLOTQADSA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(Cl)c2)c1C ZINC000038547561 569804054 /nfs/dbraw/zinc/80/40/54/569804054.db2.gz CKAPJEITMINALJ-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c1C ZINC000038547568 569804089 /nfs/dbraw/zinc/80/40/89/569804089.db2.gz FZNREIQDBXABNW-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038547526 569804093 /nfs/dbraw/zinc/80/40/93/569804093.db2.gz MNRJGFAAIUFGSL-VWLOTQADSA-N 1 1 487.625 6.539 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C(F)(F)F)cc2)c1C ZINC000038547620 569804098 /nfs/dbraw/zinc/80/40/98/569804098.db2.gz BWVWQFWSHLQVRU-JOCHJYFZSA-N 1 1 485.531 7.134 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c1C ZINC000038547660 569804102 /nfs/dbraw/zinc/80/41/02/569804102.db2.gz MVMJJIAYLYHVOE-JOCHJYFZSA-N 1 1 483.540 6.717 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccc(Br)c2)c1C ZINC000038547664 569804109 /nfs/dbraw/zinc/80/41/09/569804109.db2.gz ILAALAXEJOGJQP-JOCHJYFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(Cl)cc2)c1C ZINC000038547560 569804129 /nfs/dbraw/zinc/80/41/29/569804129.db2.gz URSBUYCNLHBWBT-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO CCOc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547636 569804134 /nfs/dbraw/zinc/80/41/34/569804134.db2.gz DIYJUHOSFCWRPB-XMMPIXPASA-N 1 1 461.587 6.514 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C(C)C)cc2)c1C ZINC000038547656 569804175 /nfs/dbraw/zinc/80/41/75/569804175.db2.gz AQUPUTMQRMJJMO-RUZDIDTESA-N 1 1 459.615 7.239 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2Cl)c1C ZINC000038547572 569804192 /nfs/dbraw/zinc/80/41/92/569804192.db2.gz UDTFBNGDXPUBKC-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(CC)sc2NC(=O)c2ccco2)cc1 ZINC000038547858 569804359 /nfs/dbraw/zinc/80/43/59/569804359.db2.gz JICMPWPVQPCZNO-DEOSSOPVSA-N 1 1 461.587 6.459 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547750 569804397 /nfs/dbraw/zinc/80/43/97/569804397.db2.gz ZFVFTHCKMPNJJX-JOCHJYFZSA-N 1 1 451.979 6.714 50 0 JKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c(OC)c1 ZINC000038547676 569804413 /nfs/dbraw/zinc/80/44/13/569804413.db2.gz ITKALWRNWRFNAI-DEOSSOPVSA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547908 569804531 /nfs/dbraw/zinc/80/45/31/569804531.db2.gz GBTINWVHRMIUIF-XMMPIXPASA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cc(OC)ccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547932 569804546 /nfs/dbraw/zinc/80/45/46/569804546.db2.gz POVDKWYMUBVNRF-XMMPIXPASA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547897 569804632 /nfs/dbraw/zinc/80/46/32/569804632.db2.gz VPRFHMZRPRUAID-QFIPXVFZSA-N 1 1 483.540 6.662 50 0 JKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2Cl)[nH+]1 ZINC000038551066 569805088 /nfs/dbraw/zinc/80/50/88/569805088.db2.gz NKZCCFZRRWKJCR-XMMPIXPASA-N 1 1 478.017 7.031 50 0 JKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038551033 569805090 /nfs/dbraw/zinc/80/50/90/569805090.db2.gz IFDQIUFDYQYSKR-DEOSSOPVSA-N 1 1 473.598 6.231 50 0 JKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(F)cc2)[nH+]1 ZINC000038551071 569805119 /nfs/dbraw/zinc/80/51/19/569805119.db2.gz APNADZXWMAUMMS-DEOSSOPVSA-N 1 1 461.562 6.516 50 0 JKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(F)c2)[nH+]1 ZINC000038551079 569805123 /nfs/dbraw/zinc/80/51/23/569805123.db2.gz DIPVYTGJDKDZPM-DEOSSOPVSA-N 1 1 461.562 6.516 50 0 JKAAMO Cc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551095 569805136 /nfs/dbraw/zinc/80/51/36/569805136.db2.gz WLTPIRSGQWTFGX-RUZDIDTESA-N 1 1 457.599 6.686 50 0 JKAAMO CCOc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551103 569805164 /nfs/dbraw/zinc/80/51/64/569805164.db2.gz SBYJXGOUCJKHQS-AREMUKBSSA-N 1 1 487.625 6.776 50 0 JKAAMO CCOc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551101 569805167 /nfs/dbraw/zinc/80/51/67/569805167.db2.gz SBYJXGOUCJKHQS-SANMLTNESA-N 1 1 487.625 6.776 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038550985 569805223 /nfs/dbraw/zinc/80/52/23/569805223.db2.gz QXLZVZOZXAODLH-QFIPXVFZSA-N 1 1 451.979 6.714 50 0 JKAAMO Cc1cc(C)c(NC(=O)CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000038729195 569806319 /nfs/dbraw/zinc/80/63/19/569806319.db2.gz ROGQITPESDUGBS-UHFFFAOYSA-N 1 1 453.936 5.122 50 0 JKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000039404162 569809814 /nfs/dbraw/zinc/80/98/14/569809814.db2.gz SLHCUNYGNNSIOR-UHFFFAOYSA-N 1 1 465.988 6.068 50 0 JKAAMO CCSc1ccccc1N1CC[NH+](CCCN2C(=O)C[C@@H](c3cccc4ccccc43)C2=O)CC1 ZINC000102195594 569810984 /nfs/dbraw/zinc/81/09/84/569810984.db2.gz HJCGEPGKTULEQW-VWLOTQADSA-N 1 1 487.669 5.007 50 0 JKAAMO O[C@H](CNCC1([NH+]2CCCCC2)CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039945626 569812463 /nfs/dbraw/zinc/81/24/63/569812463.db2.gz RRTHZNDSKOOBFW-AREMUKBSSA-N 1 1 472.620 5.210 50 0 JKAAMO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000040146327 569818012 /nfs/dbraw/zinc/81/80/12/569818012.db2.gz KAFQRMPQHLRVRV-XMMPIXPASA-N 1 1 481.625 5.038 50 0 JKAAMO CC[N@H+](CC(=O)Nc1c(Br)cc(C)cc1Br)[C@@H](C)c1ccc(F)cc1 ZINC000040154557 569820527 /nfs/dbraw/zinc/82/05/27/569820527.db2.gz ZDHKTUJTTJHVBA-ZDUSSCGKSA-N 1 1 472.196 5.681 50 0 JKAAMO CC[N@@H+](CC(=O)Nc1c(Br)cc(C)cc1Br)[C@@H](C)c1ccc(F)cc1 ZINC000040154557 569820528 /nfs/dbraw/zinc/82/05/28/569820528.db2.gz ZDHKTUJTTJHVBA-ZDUSSCGKSA-N 1 1 472.196 5.681 50 0 JKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155675 569820763 /nfs/dbraw/zinc/82/07/63/569820763.db2.gz RDXCBLKKYPEHOU-OAQYLSRUSA-N 1 1 470.592 5.785 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051847 569832328 /nfs/dbraw/zinc/83/23/28/569832328.db2.gz XEIRPBGTOLVZBH-UZTOHYMASA-N 1 1 479.020 5.584 50 0 JKAAMO 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O=C(C1CC[NH+](Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1)N1CCCCC1 ZINC000049590370 569849360 /nfs/dbraw/zinc/84/93/60/569849360.db2.gz QRTVQNLIIPCRPX-SANMLTNESA-N 1 1 499.449 5.281 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006883 569849952 /nfs/dbraw/zinc/84/99/52/569849952.db2.gz JWLNMDNBMHROPI-FYYLOGMGSA-N 1 1 451.611 5.225 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006885 569850008 /nfs/dbraw/zinc/85/00/08/569850008.db2.gz JWLNMDNBMHROPI-GGAORHGYSA-N 1 1 451.611 5.225 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000105007992 569850050 /nfs/dbraw/zinc/85/00/50/569850050.db2.gz LEPSVFLGUWXHOD-AUSIDOKSSA-N 1 1 455.574 5.110 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@H](C)CC ZINC000105011432 569850835 /nfs/dbraw/zinc/85/08/35/569850835.db2.gz WHASPQWBTNRBQN-AUSIDOKSSA-N 1 1 455.574 5.110 50 0 JKAAMO 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Cc1ccc(C[N@H+]2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105047126 569851872 /nfs/dbraw/zinc/85/18/72/569851872.db2.gz OQDYENVDNVDKFF-YIXXDRMTSA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1ccc(CN2C[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105047126 569851874 /nfs/dbraw/zinc/85/18/74/569851874.db2.gz OQDYENVDNVDKFF-YIXXDRMTSA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1cc(=O)oc2cc(NC(=S)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000051530812 569852369 /nfs/dbraw/zinc/85/23/69/569852369.db2.gz PTGOQTIRSZJYLC-UHFFFAOYSA-N 1 1 469.610 5.205 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105050761 569852520 /nfs/dbraw/zinc/85/25/20/569852520.db2.gz ZIYWPDNBALTJNA-IGKIAQTJSA-N 1 1 452.639 5.121 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1cccc(Br)c1 ZINC000169619834 569868399 /nfs/dbraw/zinc/86/83/99/569868399.db2.gz VCPJOSLAPPPDGI-KNQAVFIVSA-N 1 1 471.395 5.123 50 0 JKAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCCC4)C[C@@H]23)cc1 ZINC000169677547 569868744 /nfs/dbraw/zinc/86/87/44/569868744.db2.gz ZBSIKRFCXQUJCR-ZCYQVOJMSA-N 1 1 487.566 5.348 50 0 JKAAMO C[C@H](NC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000169677626 569868842 /nfs/dbraw/zinc/86/88/42/569868842.db2.gz OEISLAFLCLOQEP-IEXUWNMDSA-N 1 1 450.985 5.962 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677754 569868855 /nfs/dbraw/zinc/86/88/55/569868855.db2.gz PCTUIEORURJKFZ-GGAORHGYSA-N 1 1 461.503 5.089 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677755 569868957 /nfs/dbraw/zinc/86/89/57/569868957.db2.gz PCTUIEORURJKFZ-GMAHTHKFSA-N 1 1 461.503 5.089 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000169677875 569869072 /nfs/dbraw/zinc/86/90/72/569869072.db2.gz LEPSVFLGUWXHOD-WMZHIEFXSA-N 1 1 455.574 5.110 50 0 JKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169678896 569869256 /nfs/dbraw/zinc/86/92/56/569869256.db2.gz GKXVODVNFXJNHU-PZGXJGMVSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169678896 569869257 /nfs/dbraw/zinc/86/92/57/569869257.db2.gz GKXVODVNFXJNHU-PZGXJGMVSA-N 1 1 493.717 5.034 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678920 569869359 /nfs/dbraw/zinc/86/93/59/569869359.db2.gz KQYJAQZLNOMSBI-FYYLOGMGSA-N 1 1 451.611 5.266 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169679083 569869556 /nfs/dbraw/zinc/86/95/56/569869556.db2.gz WXIPNPZQGLYDIU-HYBUGGRVSA-N 1 1 469.601 5.499 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000169679432 569869733 /nfs/dbraw/zinc/86/97/33/569869733.db2.gz WEPZPXQYSUXPIO-RBISFHTESA-N 1 1 481.706 5.034 50 0 JKAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000169679432 569869734 /nfs/dbraw/zinc/86/97/34/569869734.db2.gz WEPZPXQYSUXPIO-RBISFHTESA-N 1 1 481.706 5.034 50 0 JKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 ZINC000169679796 569869983 /nfs/dbraw/zinc/86/99/83/569869983.db2.gz NNGNDUXUPSVJRF-AHKZPQOWSA-N 1 1 474.576 5.127 50 0 JKAAMO COc1ccc(C[N@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000169679797 569869985 /nfs/dbraw/zinc/86/99/85/569869985.db2.gz ICLOPCRSKOTYNV-LITSAYRRSA-N 1 1 460.593 5.407 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679821 569869995 /nfs/dbraw/zinc/86/99/95/569869995.db2.gz FTUPNUGTVZLNJF-SQHAQQRYSA-N 1 1 480.649 5.910 50 0 JKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(Cc2cccnc2)C(=O)C(C)C)[C@@H](c2ccc(C)cc2)C1 ZINC000169679924 569870084 /nfs/dbraw/zinc/87/00/84/569870084.db2.gz LITXWRAVGXORIW-IZZNHLLZSA-N 1 1 461.675 5.660 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169680610 569870569 /nfs/dbraw/zinc/87/05/69/569870569.db2.gz BSGUTWPMMGAERR-ZJSXRUAMSA-N 1 1 495.664 5.758 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680609 569870594 /nfs/dbraw/zinc/87/05/94/569870594.db2.gz PNSFRKJRAJXYBE-WIOPSUGQSA-N 1 1 495.664 5.616 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169680604 569870625 /nfs/dbraw/zinc/87/06/25/569870625.db2.gz HAZHDLFDAJMUBC-GBXCKJPGSA-N 1 1 469.601 5.499 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680960 569870737 /nfs/dbraw/zinc/87/07/37/569870737.db2.gz IXTRLJCWBXASNP-XUZZJYLKSA-N 1 1 481.637 5.368 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680963 569870758 /nfs/dbraw/zinc/87/07/58/569870758.db2.gz NSKUQSCGBBGNDV-ZJSXRUAMSA-N 1 1 495.664 5.758 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000169782401 569872551 /nfs/dbraw/zinc/87/25/51/569872551.db2.gz VNPJLIZEBJPZKS-PJTSNVSCSA-N 1 1 481.706 5.454 50 0 JKAAMO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c(=O)oc3c2C)c1C ZINC000170613379 569872868 /nfs/dbraw/zinc/87/28/68/569872868.db2.gz CRQJLYHMKYQRQL-YKSBVNFPSA-N 1 1 464.606 5.086 50 0 JKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)occ3C(C)(C)C ZINC000170613392 569872897 /nfs/dbraw/zinc/87/28/97/569872897.db2.gz XZPWPQUJWAGMDW-JPYJTQIMSA-N 1 1 464.606 5.068 50 0 JKAAMO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613437 569872926 /nfs/dbraw/zinc/87/29/26/569872926.db2.gz WPEHEVJHESFRGZ-CUNXSJBXSA-N 1 1 498.623 5.746 50 0 JKAAMO COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000226758390 570038386 /nfs/dbraw/zinc/03/83/86/570038386.db2.gz SCMIJOJMKPHWJF-DEOSSOPVSA-N 1 1 450.376 5.830 50 0 JKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229709306 570041106 /nfs/dbraw/zinc/04/11/06/570041106.db2.gz BSFZEHVOBUVXQL-QWHCGFSZSA-N 1 1 486.325 5.262 50 0 JKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229709306 570041108 /nfs/dbraw/zinc/04/11/08/570041108.db2.gz BSFZEHVOBUVXQL-QWHCGFSZSA-N 1 1 486.325 5.262 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)C1 ZINC000230077445 570044596 /nfs/dbraw/zinc/04/45/96/570044596.db2.gz DEQKDFCJTIUWLK-BQQUOAEZSA-N 1 1 479.690 5.210 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000230155062 570045883 /nfs/dbraw/zinc/04/58/83/570045883.db2.gz XKJBOOBHGDFFRS-LSYYVWMOSA-N 1 1 461.049 6.415 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)o1 ZINC000230155427 570045936 /nfs/dbraw/zinc/04/59/36/570045936.db2.gz YPOFKLQJXBUPHX-SETSBSEESA-N 1 1 488.647 6.726 50 0 JKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156974 570046106 /nfs/dbraw/zinc/04/61/06/570046106.db2.gz MIEOGAKZEZQIJG-YTMVLYRLSA-N 1 1 485.031 5.304 50 0 biogenic JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000239761230 570052706 /nfs/dbraw/zinc/05/27/06/570052706.db2.gz CJFCBDMYNMAAQG-RXDRQECZSA-N 1 1 494.079 5.951 50 0 JKAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000239761024 570052771 /nfs/dbraw/zinc/05/27/71/570052771.db2.gz CJFCBDMYNMAAQG-LFKDDQTCSA-N 1 1 494.079 5.951 50 0 JKAAMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000244986104 570054398 /nfs/dbraw/zinc/05/43/98/570054398.db2.gz JGFLECXFWFTLKV-GOSISDBHSA-N 1 1 494.989 5.186 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245228499 570055476 /nfs/dbraw/zinc/05/54/76/570055476.db2.gz BHYDECZKMVPXTJ-PZGXJGMVSA-N 1 1 494.680 5.066 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228509 570055596 /nfs/dbraw/zinc/05/55/96/570055596.db2.gz DFEIGPYKUBWJKA-YUDQIZAISA-N 1 1 492.708 5.349 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245239514 570057882 /nfs/dbraw/zinc/05/78/82/570057882.db2.gz JWSSTHRYHWQYHS-KDYSTLNUSA-N 1 1 484.710 5.021 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245239513 570057887 /nfs/dbraw/zinc/05/78/87/570057887.db2.gz JWSSTHRYHWQYHS-JIPXPUAJSA-N 1 1 484.710 5.021 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245241271 570058431 /nfs/dbraw/zinc/05/84/31/570058431.db2.gz ZTUJHODJTRLSFY-RBISFHTESA-N 1 1 498.737 5.411 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245309740 570062970 /nfs/dbraw/zinc/06/29/70/570062970.db2.gz FVNNIZBJYDGJKY-CGXNFDGLSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309740 570062971 /nfs/dbraw/zinc/06/29/71/570062971.db2.gz FVNNIZBJYDGJKY-CGXNFDGLSA-N 1 1 469.368 5.124 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000245311922 570063557 /nfs/dbraw/zinc/06/35/57/570063557.db2.gz QQYBNTUZNUHRSS-VXKWHMMOSA-N 1 1 470.727 5.679 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245327046 570065063 /nfs/dbraw/zinc/06/50/63/570065063.db2.gz HZVGACBHFBDLMR-AZGAKELHSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245327046 570065064 /nfs/dbraw/zinc/06/50/64/570065064.db2.gz HZVGACBHFBDLMR-AZGAKELHSA-N 1 1 495.639 5.898 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245327566 570065371 /nfs/dbraw/zinc/06/53/71/570065371.db2.gz KQMSVKPOOROEHA-XNMGPUDCSA-N 1 1 477.649 5.814 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245327566 570065372 /nfs/dbraw/zinc/06/53/72/570065372.db2.gz KQMSVKPOOROEHA-XNMGPUDCSA-N 1 1 477.649 5.814 50 0 JKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(Cc2cccnc2)C(=O)C(C)C)[C@H](c2ccc(C)cc2)C1 ZINC000245327917 570065487 /nfs/dbraw/zinc/06/54/87/570065487.db2.gz LITXWRAVGXORIW-UIOOFZCWSA-N 1 1 461.675 5.660 50 0 JKAAMO O=C(c1ccccc1)N(C[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000245328338 570065726 /nfs/dbraw/zinc/06/57/26/570065726.db2.gz NLHHWGCMZAFCKX-CUBQBAPOSA-N 1 1 460.593 6.109 50 0 JKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245328440 570065848 /nfs/dbraw/zinc/06/58/48/570065848.db2.gz ONCAQLJPQJDOJT-KPURRNSFSA-N 1 1 493.717 5.115 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3cccc(OC)c3)c[nH]c21 ZINC000245329293 570066355 /nfs/dbraw/zinc/06/63/55/570066355.db2.gz STMRDAIUTZRKPM-RLWLMLJZSA-N 1 1 461.650 5.642 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000245329615 570066381 /nfs/dbraw/zinc/06/63/81/570066381.db2.gz UCTSYTFDLKIFMS-UXWDXCIHSA-N 1 1 495.733 5.361 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000245330057 570066592 /nfs/dbraw/zinc/06/65/92/570066592.db2.gz WUIGXMGIOVTSLX-NLFFAJNJSA-N 1 1 466.069 6.286 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1OC ZINC000247966086 570071862 /nfs/dbraw/zinc/07/18/62/570071862.db2.gz GOXXNSYMZODYIK-GOTSBHOMSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1OC ZINC000247966086 570071863 /nfs/dbraw/zinc/07/18/63/570071863.db2.gz GOXXNSYMZODYIK-GOTSBHOMSA-N 1 1 475.614 5.062 50 0 JKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247968863 570071865 /nfs/dbraw/zinc/07/18/65/570071865.db2.gz CJAYYLNTBKKYIU-OFVILXPXSA-N 1 1 454.586 5.793 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248049989 570073270 /nfs/dbraw/zinc/07/32/70/570073270.db2.gz ADDHYRFDVZGMRR-ABYGYWHVSA-N 1 1 456.630 6.279 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248089309 570073775 /nfs/dbraw/zinc/07/37/75/570073775.db2.gz LVRXZAMUFWEVFT-AWVRMFGXSA-N 1 1 495.733 5.280 50 0 JKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248089309 570073776 /nfs/dbraw/zinc/07/37/76/570073776.db2.gz LVRXZAMUFWEVFT-AWVRMFGXSA-N 1 1 495.733 5.280 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248093492 570073891 /nfs/dbraw/zinc/07/38/91/570073891.db2.gz NGKIODOQWSAFSG-BHBYDHKZSA-N 1 1 467.657 6.081 50 0 JKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4Cc5ccccc5C[N@H+]4[C@@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000248096803 570073958 /nfs/dbraw/zinc/07/39/58/570073958.db2.gz IHCCNYSQNVISOB-ROHNOIKCSA-N 1 1 487.397 5.045 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248262884 570077088 /nfs/dbraw/zinc/07/70/88/570077088.db2.gz WUTABGFAVRNUOA-IGKIAQTJSA-N 1 1 479.039 6.493 50 0 JKAAMO c1ccc(C[N@@H+]2[C@H](c3ccccc3)C(c3ccccc3)(c3ccccc3)S[C@H]2c2ccccc2)cc1 ZINC000252620189 570087203 /nfs/dbraw/zinc/08/72/03/570087203.db2.gz LZBMMFQTIDLMFA-SAIUNTKASA-N 1 1 483.680 8.619 50 0 JKAAMO CCCCCCc1c(C)c2ccc(OCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(C)c2oc1=O ZINC000253406469 570097244 /nfs/dbraw/zinc/09/72/44/570097244.db2.gz IYOZHHHBIFVEOC-JYFHCDHNSA-N 1 1 496.692 5.634 50 0 biogenic JKAAMO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000253612155 570104731 /nfs/dbraw/zinc/10/47/31/570104731.db2.gz CVVMLEFCKQGMAH-VDWGHMIBSA-N 1 1 466.666 5.422 50 0 JKAAMO O=C1c2ccccc2[C@@H](NC2CCCCC2)N1CCN1C(=O)c2ccccc2[C@H]1[NH2+]C1CCCCC1 ZINC000334163576 570185227 /nfs/dbraw/zinc/18/52/27/570185227.db2.gz XPAPJVVRDQPNTD-NSOVKSMOSA-N 1 1 486.660 5.140 50 0 JKAAMO O=C1c2ccccc2[C@H](NC2CCCCC2)N1CCN1C(=O)c2ccccc2[C@@H]1[NH2+]C1CCCCC1 ZINC000334163577 570185232 /nfs/dbraw/zinc/18/52/32/570185232.db2.gz XPAPJVVRDQPNTD-VSGBNLITSA-N 1 1 486.660 5.140 50 0 JKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001108618 194026407 /nfs/dbraw/zinc/02/64/07/194026407.db2.gz VGCUGSRFEKMIAO-UHFFFAOYSA-N 1 1 456.347 5.857 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000001447725 194122872 /nfs/dbraw/zinc/12/28/72/194122872.db2.gz NPHUQDFHVWIDHG-UHFFFAOYSA-N 1 1 461.569 5.423 50 0 JKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OCC)cc2)CC1 ZINC000001447750 194122916 /nfs/dbraw/zinc/12/29/16/194122916.db2.gz ZVWXGRYSQZIRKW-UHFFFAOYSA-N 1 1 470.573 5.266 50 0 JKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447591 194122967 /nfs/dbraw/zinc/12/29/67/194122967.db2.gz UKIZVOVOTIZFKB-UHFFFAOYSA-N 1 1 454.917 6.082 50 0 JKAAMO Clc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000002714126 194164800 /nfs/dbraw/zinc/16/48/00/194164800.db2.gz XDDIUCGIJRVVDD-UHFFFAOYSA-N 1 1 465.988 6.068 50 0 aggregator JKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1OC ZINC000002919355 194169481 /nfs/dbraw/zinc/16/94/81/194169481.db2.gz RBWOSEQEAWMSNF-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1OCc1ccccc1 ZINC000002928830 194173050 /nfs/dbraw/zinc/17/30/50/194173050.db2.gz GQBOIZDYKJZSFO-MUUNZHRXSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1OCc1ccccc1 ZINC000002928830 194173053 /nfs/dbraw/zinc/17/30/53/194173053.db2.gz GQBOIZDYKJZSFO-MUUNZHRXSA-N 1 1 466.625 6.821 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3OC)CC2)cc1 ZINC000002974838 194190391 /nfs/dbraw/zinc/19/03/91/194190391.db2.gz SIEIBVCIVVTGEP-UHFFFAOYSA-N 1 1 491.595 5.431 50 0 JKAAMO Clc1ccccc1CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002974984 194190550 /nfs/dbraw/zinc/19/05/50/194190550.db2.gz BWUKEIKGQHYNGE-UHFFFAOYSA-N 1 1 489.804 7.116 50 0 JKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000002974997 194190658 /nfs/dbraw/zinc/19/06/58/194190658.db2.gz CMQHHYZEJVLUKR-UHFFFAOYSA-N 1 1 454.961 6.752 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000002975036 194190662 /nfs/dbraw/zinc/19/06/62/194190662.db2.gz SXFKYUDXCMZCIH-UHFFFAOYSA-N 1 1 473.624 6.339 50 0 JKAAMO CC(C)c1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003058153 194221711 /nfs/dbraw/zinc/22/17/11/194221711.db2.gz BSXIZHLPFVZOHB-UHFFFAOYSA-N 1 1 466.629 6.354 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)Cc1ccccc1 ZINC000003064142 194223325 /nfs/dbraw/zinc/22/33/25/194223325.db2.gz DOGBFPNOFSDENJ-IMRQLAEWSA-N 1 1 485.653 5.802 50 0 JKAAMO CC(=O)Nc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1Sc1ccc(Cl)cc1 ZINC000003048915 194218137 /nfs/dbraw/zinc/21/81/37/194218137.db2.gz DKQKCSLGEWXUAZ-UHFFFAOYSA-N 1 1 468.022 5.311 50 0 JKAAMO CC[N@H+](Cn1c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2oc1=S)C1CCCCC1 ZINC000003268755 194257515 /nfs/dbraw/zinc/25/75/15/194257515.db2.gz LIOGVGRWVIHKAD-UHFFFAOYSA-N 1 1 475.636 5.385 50 0 JKAAMO CC[N@@H+](Cn1c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2oc1=S)C1CCCCC1 ZINC000003268755 194257517 /nfs/dbraw/zinc/25/75/17/194257517.db2.gz LIOGVGRWVIHKAD-UHFFFAOYSA-N 1 1 475.636 5.385 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003287311 194265430 /nfs/dbraw/zinc/26/54/30/194265430.db2.gz UKENGNMTXGKIDG-QWJDJTSBSA-N 1 1 460.980 6.163 50 0 JKAAMO COc1cc2c(cc1OC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC000003365979 194303216 /nfs/dbraw/zinc/30/32/16/194303216.db2.gz CZHISYXHAMLNPP-UHFFFAOYSA-N 1 1 478.662 5.136 50 0 JKAAMO FC(F)(F)c1ccc(CCNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000003380145 194309422 /nfs/dbraw/zinc/30/94/22/194309422.db2.gz XLPFQTZJXDULNJ-UHFFFAOYSA-N 1 1 474.596 6.229 50 0 JKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000003384411 194310093 /nfs/dbraw/zinc/31/00/93/194310093.db2.gz VGVXOTXSLWOWKB-XMMPIXPASA-N 1 1 461.627 6.109 50 0 JKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000003384411 194310096 /nfs/dbraw/zinc/31/00/96/194310096.db2.gz VGVXOTXSLWOWKB-XMMPIXPASA-N 1 1 461.627 6.109 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 ZINC000003638737 194346662 /nfs/dbraw/zinc/34/66/62/194346662.db2.gz NASSTBRSKOCBSH-UHFFFAOYSA-N 1 1 467.679 5.184 50 0 JKAAMO COc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647483 194348841 /nfs/dbraw/zinc/34/88/41/194348841.db2.gz QFCDEXXJIIOIJK-OAQYLSRUSA-N 1 1 484.419 5.506 50 0 JKAAMO COc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000003647483 194348844 /nfs/dbraw/zinc/34/88/44/194348844.db2.gz QFCDEXXJIIOIJK-OAQYLSRUSA-N 1 1 484.419 5.506 50 0 JKAAMO COCC(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003782486 194361597 /nfs/dbraw/zinc/36/15/97/194361597.db2.gz HBNPJJILLOYFJU-VMPREFPWSA-N 1 1 495.639 5.271 50 0 investigational JKAAMO Cn1c2ccccc2[nH+]c1NCc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000009186669 194583348 /nfs/dbraw/zinc/58/33/48/194583348.db2.gz UJOQEKXRZATIMQ-LJAQVGFWSA-N 1 1 457.581 6.541 50 0 JKAAMO CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009344400 194701913 /nfs/dbraw/zinc/70/19/13/194701913.db2.gz NJJKQFBRHBCMHH-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(-c2cccs2)nc2ccccc21)Cc1ccccc1 ZINC000009598044 194797286 /nfs/dbraw/zinc/79/72/86/194797286.db2.gz NFXVLXOAZUCTAP-UHFFFAOYSA-N 1 1 457.643 6.386 50 0 JKAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)ccc1OCc1ccccc1 ZINC000009933453 195025247 /nfs/dbraw/zinc/02/52/47/195025247.db2.gz UHRNIJLAKBMBGU-SANMLTNESA-N 1 1 458.602 5.145 50 0 JKAAMO COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)cc1OCc1ccccc1 ZINC000009933465 195025393 /nfs/dbraw/zinc/02/53/93/195025393.db2.gz JESHSWZVYLPEHT-UHFFFAOYSA-N 1 1 489.635 5.200 50 0 JKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(SCc2cc(=O)n3c(n2)sc2c3CCCC2)n1 ZINC000009960079 195038778 /nfs/dbraw/zinc/03/87/78/195038778.db2.gz XIJUJUZOWDHARM-UHFFFAOYSA-N 1 1 499.731 5.390 50 0 JKAAMO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc32)cc1 ZINC000009962529 195039658 /nfs/dbraw/zinc/03/96/58/195039658.db2.gz CJASFYMDBOXPNL-SZPZYZBQSA-N 1 1 451.680 5.205 50 0 JKAAMO COc1ccc(-c2nc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)cs2)cc1OC ZINC000012731397 195098675 /nfs/dbraw/zinc/09/86/75/195098675.db2.gz KQBNDHJYVIXCKM-GASCZTMLSA-N 1 1 472.636 5.014 50 0 JKAAMO COc1ccc(-c2nc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)cs2)cc1OC ZINC000012731397 195098676 /nfs/dbraw/zinc/09/86/76/195098676.db2.gz KQBNDHJYVIXCKM-GASCZTMLSA-N 1 1 472.636 5.014 50 0 JKAAMO O=C(C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012740198 195100892 /nfs/dbraw/zinc/10/08/92/195100892.db2.gz ITSVPKFANUBNHQ-QILAJZQNSA-N 1 1 478.727 5.533 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000012856889 195158035 /nfs/dbraw/zinc/15/80/35/195158035.db2.gz ITEGNFZFKSZFLJ-UHFFFAOYSA-N 1 1 495.598 5.979 50 0 JKAAMO O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020735184 195212507 /nfs/dbraw/zinc/21/25/07/195212507.db2.gz ZGCJEUDXIOJEKD-KOEQRZSOSA-N 1 1 490.028 5.383 50 0 JKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000020688450 195205414 /nfs/dbraw/zinc/20/54/14/195205414.db2.gz YULDXBIZLIJKDB-UHFFFAOYSA-N 1 1 457.559 5.689 50 0 JKAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020725270 195207395 /nfs/dbraw/zinc/20/73/95/195207395.db2.gz JCYSFCKROXZSSM-UHFFFAOYSA-N 1 1 451.570 5.259 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)Cc1ccccc1 ZINC000020726736 195207923 /nfs/dbraw/zinc/20/79/23/195207923.db2.gz WPPRBLIWSSMDLU-RRAHZORUSA-N 1 1 499.680 5.583 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020728566 195208927 /nfs/dbraw/zinc/20/89/27/195208927.db2.gz VCUNHAXPJPFWOO-SGWCAAJKSA-N 1 1 499.680 6.194 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(OC)c1)S2 ZINC000020734391 195212083 /nfs/dbraw/zinc/21/20/83/195212083.db2.gz UMLVMBYMJYSLKY-JJIBRWJFSA-N 1 1 467.635 5.022 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735017 195212098 /nfs/dbraw/zinc/21/20/98/195212098.db2.gz NGVBTBQIDMMGNZ-DMGPTTAYSA-N 1 1 470.038 5.277 50 0 JKAAMO CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020826997 195229741 /nfs/dbraw/zinc/22/97/41/195229741.db2.gz XDVVJWJKCQDVHP-UHFFFAOYSA-N 1 1 461.656 5.816 50 0 JKAAMO CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020826997 195229743 /nfs/dbraw/zinc/22/97/43/195229743.db2.gz XDVVJWJKCQDVHP-UHFFFAOYSA-N 1 1 461.656 5.816 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000020737403 195213652 /nfs/dbraw/zinc/21/36/52/195213652.db2.gz JLQKEALKFLRFTM-CQKAXJAZSA-N 1 1 477.674 5.935 50 0 JKAAMO COc1ccccc1-c1c(C)oc2c(ccc3c2CN(C[C@@H]2CCC[N@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020762962 195218938 /nfs/dbraw/zinc/21/89/38/195218938.db2.gz QSUZPFPANNDICT-GBXCKJPGSA-N 1 1 474.601 5.193 50 0 biogenic JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)CCCSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000020779494 195224679 /nfs/dbraw/zinc/22/46/79/195224679.db2.gz OHWBYUQSOVCYIJ-UHFFFAOYSA-N 1 1 497.686 6.663 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)CCCSc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000020779494 195224683 /nfs/dbraw/zinc/22/46/83/195224683.db2.gz OHWBYUQSOVCYIJ-UHFFFAOYSA-N 1 1 497.686 6.663 50 0 JKAAMO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020909550 195245928 /nfs/dbraw/zinc/24/59/28/195245928.db2.gz VKWFLGAMXPDERA-HSZRJFAPSA-N 1 1 488.591 6.000 50 0 JKAAMO c1ccc(-c2cnc(-c3ccncc3)nc2[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000020910890 195246008 /nfs/dbraw/zinc/24/60/08/195246008.db2.gz VKAMDNMSJQALFN-HSZRJFAPSA-N 1 1 450.542 5.314 50 0 JKAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020920310 195247746 /nfs/dbraw/zinc/24/77/46/195247746.db2.gz MYSHMBHRRSVAHJ-GDLZYMKVSA-N 1 1 496.696 5.314 50 0 JKAAMO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021045634 195271629 /nfs/dbraw/zinc/27/16/29/195271629.db2.gz ACDNLIDMTDRGHJ-VWLOTQADSA-N 1 1 462.615 5.382 50 0 JKAAMO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021045634 195271634 /nfs/dbraw/zinc/27/16/34/195271634.db2.gz ACDNLIDMTDRGHJ-VWLOTQADSA-N 1 1 462.615 5.382 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)[C@H]2c1ccccc1 ZINC000021045491 195271641 /nfs/dbraw/zinc/27/16/41/195271641.db2.gz LJSHHGJQDHOJQI-VWLOTQADSA-N 1 1 450.604 5.222 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)[C@H]2c1ccccc1 ZINC000021045491 195271642 /nfs/dbraw/zinc/27/16/42/195271642.db2.gz LJSHHGJQDHOJQI-VWLOTQADSA-N 1 1 450.604 5.222 50 0 JKAAMO CCOc1ccc([C@@H]([NH2+]Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C(C)C)cc1OCC ZINC000021327339 195294582 /nfs/dbraw/zinc/29/45/82/195294582.db2.gz BQEKNXWDWWLHPR-QFIPXVFZSA-N 1 1 463.500 6.040 50 0 JKAAMO O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021487158 195303130 /nfs/dbraw/zinc/30/31/30/195303130.db2.gz YGUSHNUUCJGBQJ-JWOGCTPDSA-N 1 1 497.406 7.557 50 0 JKAAMO O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021487158 195303133 /nfs/dbraw/zinc/30/31/33/195303133.db2.gz YGUSHNUUCJGBQJ-JWOGCTPDSA-N 1 1 497.406 7.557 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000021796704 195322587 /nfs/dbraw/zinc/32/25/87/195322587.db2.gz BVCJQDOBKDELMP-UHFFFAOYSA-N 1 1 473.580 5.358 50 0 JKAAMO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796446 195322623 /nfs/dbraw/zinc/32/26/23/195322623.db2.gz NETBVEYVISHIQK-UHFFFAOYSA-N 1 1 495.533 5.328 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000021796518 195322648 /nfs/dbraw/zinc/32/26/48/195322648.db2.gz YKYUCFFNZVNNKH-UHFFFAOYSA-N 1 1 489.579 5.059 50 0 JKAAMO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)cc1 ZINC000021796614 195322654 /nfs/dbraw/zinc/32/26/54/195322654.db2.gz KKQDFUVUGYGKPQ-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805854 195323438 /nfs/dbraw/zinc/32/34/38/195323438.db2.gz UWAKSVCSEURERJ-MUUNZHRXSA-N 1 1 461.569 6.337 50 0 JKAAMO 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CC(C)(C)c1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCCC3)co2)cc1 ZINC000036064005 519027120 /nfs/dbraw/zinc/02/71/20/519027120.db2.gz WLQUUQVGHLQKPF-UHFFFAOYSA-N 1 1 484.644 5.934 50 0 JKAAMO CC(C)(C)c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCCC3)co2)cc1 ZINC000036064005 519027125 /nfs/dbraw/zinc/02/71/25/519027125.db2.gz WLQUUQVGHLQKPF-UHFFFAOYSA-N 1 1 484.644 5.934 50 0 JKAAMO CC(C)C[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447424 519423441 /nfs/dbraw/zinc/42/34/41/519423441.db2.gz HLDGSMNWTJGRFK-GOTSBHOMSA-N 1 1 466.847 5.452 50 0 JKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036151094 519717783 /nfs/dbraw/zinc/71/77/83/519717783.db2.gz PAPKPJYXZMJHEM-AREMUKBSSA-N 1 1 477.649 5.368 50 0 JKAAMO CC(C)C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000036167730 519718076 /nfs/dbraw/zinc/71/80/76/519718076.db2.gz FACAJWWOUWHPLL-UHFFFAOYSA-N 1 1 479.542 6.639 50 0 JKAAMO 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Cc1ccc(F)cc1NC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000014991448 524856652 /nfs/dbraw/zinc/85/66/52/524856652.db2.gz PCRVGHCVRUZNRJ-IBGZPJMESA-N 1 1 490.575 5.779 50 0 JKAAMO Cc1cccc2[nH]c3c(ncnc3N3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c21 ZINC000020443077 524917912 /nfs/dbraw/zinc/91/79/12/524917912.db2.gz WNISFQDJFGZNFE-MHZLTWQESA-N 1 1 468.004 5.985 50 0 JKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC(C)(C)C1 ZINC000016712868 524932424 /nfs/dbraw/zinc/93/24/24/524932424.db2.gz PRFWHRZPBRARGU-RXVVDRJESA-N 1 1 478.562 7.733 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306118 524988985 /nfs/dbraw/zinc/98/89/85/524988985.db2.gz VRLDTLHZHNLWME-QFIPXVFZSA-N 1 1 481.637 5.274 50 0 JKAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000016676961 524989452 /nfs/dbraw/zinc/98/94/52/524989452.db2.gz HFKAAUFNANBKDD-CALCHBBNSA-N 1 1 456.011 5.249 50 0 JKAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000016676961 524989462 /nfs/dbraw/zinc/98/94/62/524989462.db2.gz HFKAAUFNANBKDD-CALCHBBNSA-N 1 1 456.011 5.249 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304643 524989747 /nfs/dbraw/zinc/98/97/47/524989747.db2.gz OAPPLRFJVWIXOO-XMMPIXPASA-N 1 1 493.648 5.370 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)Cc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302364 524990088 /nfs/dbraw/zinc/99/00/88/524990088.db2.gz BGAWGACCBAHLLR-MHZLTWQESA-N 1 1 499.655 6.043 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305942 524990408 /nfs/dbraw/zinc/99/04/08/524990408.db2.gz AJYUOZRTDPVYTB-RUZDIDTESA-N 1 1 451.611 5.363 50 0 JKAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2cccc(Cl)c2)C[C@H](O)COCc2ccccc2)C1 ZINC000036145792 525085435 /nfs/dbraw/zinc/08/54/35/525085435.db2.gz OVTBGHDYMHFNQI-UIOOFZCWSA-N 1 1 479.020 5.221 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1OC ZINC000002916752 525228528 /nfs/dbraw/zinc/22/85/28/525228528.db2.gz GMFXJWLWKMDLKP-RPBOFIJWSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917924 525229192 /nfs/dbraw/zinc/22/91/92/525229192.db2.gz SLRUGBSFJCTQFA-RPWUZVMVSA-N 1 1 477.351 5.806 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021805814 525428322 /nfs/dbraw/zinc/42/83/22/525428322.db2.gz BOXWVAAOFCEFRQ-NDEPHWFRSA-N 1 1 461.569 6.337 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021659634 525431247 /nfs/dbraw/zinc/43/12/47/525431247.db2.gz MGNXOXCYHCNENU-VWLOTQADSA-N 1 1 453.571 6.090 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021805742 525431442 /nfs/dbraw/zinc/43/14/42/525431442.db2.gz MQIRAVAOLFYHKK-MHZLTWQESA-N 1 1 465.532 6.168 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805748 525431535 /nfs/dbraw/zinc/43/15/35/525431535.db2.gz NWRNYLONYWLAGO-MHZLTWQESA-N 1 1 465.532 6.168 50 0 JKAAMO COc1ccc([C@](O)(c2cccc(C)c2)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446985 525444904 /nfs/dbraw/zinc/44/49/04/525444904.db2.gz GAVRFEAZLDHDCT-SXOMAYOGSA-N 1 1 451.994 5.009 50 0 JKAAMO Cc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546434 525483315 /nfs/dbraw/zinc/48/33/15/525483315.db2.gz KNDDALWKZKKHDT-HXUWFJFHSA-N 1 1 464.418 5.545 50 0 JKAAMO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000033435702 525492115 /nfs/dbraw/zinc/49/21/15/525492115.db2.gz GJAYETZNERUDBM-LVXARBLLSA-N 1 1 477.674 5.506 50 0 JKAAMO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000036056944 525494988 /nfs/dbraw/zinc/49/49/88/525494988.db2.gz GJAYETZNERUDBM-QFQXNSOFSA-N 1 1 477.674 5.506 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+](C)C1CCCCC1)c2Sc1ccccc1 ZINC000020466801 525597861 /nfs/dbraw/zinc/59/78/61/525597861.db2.gz MJSMLOGMHOFFLC-UHFFFAOYSA-N 1 1 451.636 5.712 50 0 JKAAMO Cc1c(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912095 525608973 /nfs/dbraw/zinc/60/89/73/525608973.db2.gz QTJSTJWVVPXYCA-ZVDOUQERSA-N 1 1 468.638 5.643 50 0 biogenic JKAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NC1CC1 ZINC000014992984 525651029 /nfs/dbraw/zinc/65/10/29/525651029.db2.gz UITRUHSMAPZZPK-QPPBQGQZSA-N 1 1 450.579 5.001 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccccc2)CCCC3)c2ccccn2)c1 ZINC000038547483 525698004 /nfs/dbraw/zinc/69/80/04/525698004.db2.gz GKGPFWFQNBONDS-RUZDIDTESA-N 1 1 454.599 6.179 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4ccc(F)cc4)ccc3[nH+]2)cc1 ZINC000033292772 525733416 /nfs/dbraw/zinc/73/34/16/525733416.db2.gz CTTDIBKUOZYBTP-UHFFFAOYSA-N 1 1 456.521 5.830 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccc(C)c(C)c4)ccc3[nH+]2)cc1 ZINC000033310114 525734876 /nfs/dbraw/zinc/73/48/76/525734876.db2.gz XVPWKPBEOXIGLL-UHFFFAOYSA-N 1 1 451.570 5.916 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4ccc(C)c(F)c4)ccc3[nH+]2)cc1 ZINC000033292800 525735078 /nfs/dbraw/zinc/73/50/78/525735078.db2.gz WQRJWOAMAXWTIV-UHFFFAOYSA-N 1 1 470.548 6.138 50 0 JKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)NCc4ccc(F)cc4)ccc3[nH+]2)cc1 ZINC000033292798 525735511 /nfs/dbraw/zinc/73/55/11/525735511.db2.gz GZJXWLLPJVIGPI-UHFFFAOYSA-N 1 1 470.548 5.508 50 0 JKAAMO Cc1ccc(-c2cccc3c(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc(C)nc23)cc1 ZINC000033036978 525758007 /nfs/dbraw/zinc/75/80/07/525758007.db2.gz ZSYVUUORNMJQIR-UHFFFAOYSA-N 1 1 499.058 5.724 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205305 525784986 /nfs/dbraw/zinc/78/49/86/525784986.db2.gz QOTFZJYDPWLAJI-JOCHJYFZSA-N 1 1 461.631 5.082 50 0 JKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1C ZINC000036205305 525784994 /nfs/dbraw/zinc/78/49/94/525784994.db2.gz QOTFZJYDPWLAJI-JOCHJYFZSA-N 1 1 461.631 5.082 50 0 JKAAMO Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2)C1 ZINC000014988001 525818935 /nfs/dbraw/zinc/81/89/35/525818935.db2.gz CWHZZLFQAFVNPQ-RUZDIDTESA-N 1 1 462.659 5.662 50 0 JKAAMO Cc1ccsc1C(=O)N1CCC[C@H](COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2)C1 ZINC000014988005 525821866 /nfs/dbraw/zinc/82/18/66/525821866.db2.gz CWHZZLFQAFVNPQ-VWLOTQADSA-N 1 1 462.659 5.662 50 0 JKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034829729 526049669 /nfs/dbraw/zinc/04/96/69/526049669.db2.gz GKXVODVNFXJNHU-MNNSJKJDSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034829729 526049678 /nfs/dbraw/zinc/04/96/78/526049678.db2.gz GKXVODVNFXJNHU-MNNSJKJDSA-N 1 1 493.717 5.034 50 0 JKAAMO Cc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[N@@H+](C)Cc3ccc4ncccc4c3)cc2)s1 ZINC000012243651 526171794 /nfs/dbraw/zinc/17/17/94/526171794.db2.gz NTJIFPXGOFHBEJ-LJQANCHMSA-N 1 1 459.615 5.434 50 0 JKAAMO Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[N@@H+](C)Cc3ccc4ncccc4c3)cc2)s1 ZINC000012243650 526179854 /nfs/dbraw/zinc/17/98/54/526179854.db2.gz NTJIFPXGOFHBEJ-IBGZPJMESA-N 1 1 459.615 5.434 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012491109 526193555 /nfs/dbraw/zinc/19/35/55/526193555.db2.gz BKJKUXDFLNNHRO-RPLLCQBOSA-N 1 1 483.015 5.949 50 0 JKAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000020466738 526215053 /nfs/dbraw/zinc/21/50/53/526215053.db2.gz KXAKMMOGFVFSKS-KDURUIRLSA-N 1 1 470.082 6.379 50 0 JKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938323 526217076 /nfs/dbraw/zinc/21/70/76/526217076.db2.gz LOVMEINPVBPQFA-AREMUKBSSA-N 1 1 474.004 5.984 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305295 526241448 /nfs/dbraw/zinc/24/14/48/526241448.db2.gz KAJXPQUCDKCTID-HSZRJFAPSA-N 1 1 495.664 5.522 50 0 JKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305498 526241499 /nfs/dbraw/zinc/24/14/99/526241499.db2.gz UBLUOASKGDDVAZ-JOCHJYFZSA-N 1 1 479.621 5.028 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659441 526244914 /nfs/dbraw/zinc/24/49/14/526244914.db2.gz YVRMSQBXAKLXSL-INIZCTEOSA-N 1 1 455.389 5.930 50 0 JKAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206525 526256662 /nfs/dbraw/zinc/25/66/62/526256662.db2.gz MEVVNMZLQIEJJU-QFIPXVFZSA-N 1 1 497.705 5.437 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146315 526286003 /nfs/dbraw/zinc/28/60/03/526286003.db2.gz OINASEFJJGMISZ-UIOOFZCWSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146405 526286489 /nfs/dbraw/zinc/28/64/89/526286489.db2.gz YQEALFMQTRROBQ-DQEYMECFSA-N 1 1 482.983 5.052 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146405 526286492 /nfs/dbraw/zinc/28/64/92/526286492.db2.gz YQEALFMQTRROBQ-DQEYMECFSA-N 1 1 482.983 5.052 50 0 JKAAMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509316 526325205 /nfs/dbraw/zinc/32/52/05/526325205.db2.gz VCPMZDWBEWTGNW-UHFFFAOYSA-N 1 1 460.621 6.142 50 0 investigational JKAAMO Fc1cccc(-c2cnc(C(F)(F)F)nc2C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000012246138 526380497 /nfs/dbraw/zinc/38/04/97/526380497.db2.gz OPNPOVDEADHCDL-UHFFFAOYSA-N 1 1 455.459 5.557 50 0 JKAAMO S=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509554 526385077 /nfs/dbraw/zinc/38/50/77/526385077.db2.gz RMEAYCMCAAGONQ-UHFFFAOYSA-N 1 1 456.442 6.097 50 0 JKAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCCC[C@@H]1c1cccnc1 ZINC000014992035 526496465 /nfs/dbraw/zinc/49/64/65/526496465.db2.gz WSNTXTHLXWKACR-VPUSJEBWSA-N 1 1 459.565 5.300 50 0 JKAAMO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016676428 526596035 /nfs/dbraw/zinc/59/60/35/526596035.db2.gz DDZUBWPOXBMYDG-UHFFFAOYSA-N 1 1 489.644 6.511 50 0 JKAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000021650014 526648589 /nfs/dbraw/zinc/64/85/89/526648589.db2.gz SZPSGSDRZOVAOP-UHFFFAOYSA-N 1 1 490.913 5.602 50 0 JKAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000021650014 526648592 /nfs/dbraw/zinc/64/85/92/526648592.db2.gz SZPSGSDRZOVAOP-UHFFFAOYSA-N 1 1 490.913 5.602 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000033287187 526734213 /nfs/dbraw/zinc/73/42/13/526734213.db2.gz POHIUJNEHCAXCU-UHFFFAOYSA-N 1 1 479.005 5.650 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000033287187 526734218 /nfs/dbraw/zinc/73/42/18/526734218.db2.gz POHIUJNEHCAXCU-UHFFFAOYSA-N 1 1 479.005 5.650 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000008597877 526734256 /nfs/dbraw/zinc/73/42/56/526734256.db2.gz YHFMHOLLOBBGQA-JOCHJYFZSA-N 1 1 451.998 5.183 50 0 JKAAMO O=C(c1ccccc1Cl)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796336 526803879 /nfs/dbraw/zinc/80/38/79/526803879.db2.gz OKEHSZDMVBJNID-UHFFFAOYSA-N 1 1 493.998 5.703 50 0 JKAAMO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2F)CC1)C1CC1 ZINC000012333051 526814025 /nfs/dbraw/zinc/81/40/25/526814025.db2.gz HIQNYHKLBJBINT-NDEPHWFRSA-N 1 1 475.583 5.488 50 0 JKAAMO Clc1ccc(C[N@@H+]2CCCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1Cl ZINC000008616645 526945047 /nfs/dbraw/zinc/94/50/47/526945047.db2.gz VZLPRJYXOLHZHT-UHFFFAOYSA-N 1 1 469.441 6.377 50 0 JKAAMO Clc1ccc(C[N@H+]2CCCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1Cl ZINC000008616645 526945054 /nfs/dbraw/zinc/94/50/54/526945054.db2.gz VZLPRJYXOLHZHT-UHFFFAOYSA-N 1 1 469.441 6.377 50 0 JKAAMO Clc1ccccc1C[NH+]1CCN(c2ccc(Nc3ncnc4c5ccccc5oc43)cc2)CC1 ZINC000020393506 526988653 /nfs/dbraw/zinc/98/86/53/526988653.db2.gz DYJYPXFNDVUFIA-UHFFFAOYSA-N 1 1 469.976 6.095 50 0 JKAAMO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000033326739 527002652 /nfs/dbraw/zinc/00/26/52/527002652.db2.gz JARSTBZKIKCPGL-UHFFFAOYSA-N 1 1 450.974 6.571 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(NC2CCCCC2)[nH+]1 ZINC000033326739 527002654 /nfs/dbraw/zinc/00/26/54/527002654.db2.gz JARSTBZKIKCPGL-UHFFFAOYSA-N 1 1 450.974 6.571 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH+]1 ZINC000021794364 527003074 /nfs/dbraw/zinc/00/30/74/527003074.db2.gz CYCXWNVTGWIXST-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794364 527003081 /nfs/dbraw/zinc/00/30/81/527003081.db2.gz CYCXWNVTGWIXST-UHFFFAOYSA-N 1 1 466.383 5.534 50 0 JKAAMO O=C1C[C@@H](c2ccccc2F)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000019899780 527024726 /nfs/dbraw/zinc/02/47/26/527024726.db2.gz QQXPYNMSWQEMLR-DEOSSOPVSA-N 1 1 492.598 5.440 50 0 JKAAMO O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000016361303 527033280 /nfs/dbraw/zinc/03/32/80/527033280.db2.gz GWSFREMOUWEKNY-UHFFFAOYSA-N 1 1 470.013 5.532 50 0 JKAAMO O=C(Nc1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033624599 527155776 /nfs/dbraw/zinc/15/57/76/527155776.db2.gz SYTSLDOWKAHUMQ-UHFFFAOYSA-N 1 1 450.380 5.388 50 0 JKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432065 527248403 /nfs/dbraw/zinc/24/84/03/527248403.db2.gz RPLCQZDRZLKOAL-UHFFFAOYSA-N 1 1 475.592 6.185 50 0 JKAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016695649 527287747 /nfs/dbraw/zinc/28/77/47/527287747.db2.gz FLICNTHYZNXDGF-NDEPHWFRSA-N 1 1 490.531 5.013 50 0 JKAAMO O=C(Cc1csc(-c2ccccc2)n1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000014991759 527332261 /nfs/dbraw/zinc/33/22/61/527332261.db2.gz XAZASUGPIXGIOG-DEOSSOPVSA-N 1 1 475.639 5.166 50 0 JKAAMO O=C(Cc1csc(-c2ccccc2)n1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000014991759 527332268 /nfs/dbraw/zinc/33/22/68/527332268.db2.gz XAZASUGPIXGIOG-DEOSSOPVSA-N 1 1 475.639 5.166 50 0 JKAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012246604 527491154 /nfs/dbraw/zinc/49/11/54/527491154.db2.gz CGEUXIVNSSOJCS-OZXSUGGESA-N 1 1 468.626 5.244 50 0 JKAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000014989861 527491262 /nfs/dbraw/zinc/49/12/62/527491262.db2.gz KEYWKCYNBJWLOF-BVAGGSTKSA-N 1 1 484.625 5.369 50 0 JKAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000014989861 527491267 /nfs/dbraw/zinc/49/12/67/527491267.db2.gz KEYWKCYNBJWLOF-BVAGGSTKSA-N 1 1 484.625 5.369 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305236 527536361 /nfs/dbraw/zinc/53/63/61/527536361.db2.gz CNQYJNPVBJZLOQ-HSZRJFAPSA-N 1 1 498.067 5.921 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)c1Oc1cccc(F)c1 ZINC000036307101 527538344 /nfs/dbraw/zinc/53/83/44/527538344.db2.gz DNACOQBMVFKDBL-RUZDIDTESA-N 1 1 471.576 5.587 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307298 527538572 /nfs/dbraw/zinc/53/85/72/527538572.db2.gz QWGZUUXTAWFMCO-AREMUKBSSA-N 1 1 485.603 5.834 50 0 JKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307775 527538681 /nfs/dbraw/zinc/53/86/81/527538681.db2.gz NXNPEDUNMQAMML-AREMUKBSSA-N 1 1 485.603 5.834 50 0 JKAAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022663049 527544345 /nfs/dbraw/zinc/54/43/45/527544345.db2.gz LQXGBROHFPSEQN-SEJPIABJSA-N 1 1 470.457 5.692 50 0 JKAAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000022649413 527544843 /nfs/dbraw/zinc/54/48/43/527544843.db2.gz PXNOQFSXRVIWGH-AYHJJNSGSA-N 1 1 455.788 5.754 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036304085 527548465 /nfs/dbraw/zinc/54/84/65/527548465.db2.gz AJEJNEDOVVXEOK-SANMLTNESA-N 1 1 477.555 6.195 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036303749 527548604 /nfs/dbraw/zinc/54/86/04/527548604.db2.gz XKVMSXRTZHZWSW-DEOSSOPVSA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036303749 527548605 /nfs/dbraw/zinc/54/86/05/527548605.db2.gz XKVMSXRTZHZWSW-DEOSSOPVSA-N 1 1 484.040 5.624 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036304260 527549543 /nfs/dbraw/zinc/54/95/43/527549543.db2.gz HBOCDSWJKLFJOM-HSZRJFAPSA-N 1 1 485.575 5.249 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036304118 527549570 /nfs/dbraw/zinc/54/95/70/527549570.db2.gz MYUBMWHAOHVOHS-JOCHJYFZSA-N 1 1 487.591 5.638 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036304753 527550135 /nfs/dbraw/zinc/55/01/35/527550135.db2.gz YDMZARPNCADMRN-XMMPIXPASA-N 1 1 451.611 5.278 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036304921 527550345 /nfs/dbraw/zinc/55/03/45/527550345.db2.gz YXADIAHPMVHFAV-RUZDIDTESA-N 1 1 477.649 5.669 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036308679 527550734 /nfs/dbraw/zinc/55/07/34/527550734.db2.gz AEJUVXCVKOKZHF-XMMPIXPASA-N 1 1 463.622 5.361 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304898 527551076 /nfs/dbraw/zinc/55/10/76/527551076.db2.gz HKNTUQHQLFCKCW-MUUNZHRXSA-N 1 1 481.640 6.097 50 0 JKAAMO O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020366226 527616452 /nfs/dbraw/zinc/61/64/52/527616452.db2.gz KFFHTGPMHCYYIF-DYTRJAOYSA-N 1 1 488.631 6.213 50 0 JKAAMO O[C@@H](c1ccc2c(c1)C[N@@H+](Cc1ccc(Oc3ncccn3)cc1)CCO2)c1c(F)cccc1Cl ZINC000012454597 527666641 /nfs/dbraw/zinc/66/66/41/527666641.db2.gz ATLFTFWZLGFBSV-SANMLTNESA-N 1 1 491.950 5.538 50 0 JKAAMO O[C@@H](c1ccc2c(c1)C[N@H+](Cc1ccc(Oc3ncccn3)cc1)CCO2)c1c(F)cccc1Cl ZINC000012454597 527666645 /nfs/dbraw/zinc/66/66/45/527666645.db2.gz ATLFTFWZLGFBSV-SANMLTNESA-N 1 1 491.950 5.538 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2Cl)CC1 ZINC000096291040 535616626 /nfs/dbraw/zinc/61/66/26/535616626.db2.gz ORZASXFHYQNPPD-UHFFFAOYSA-N 1 1 479.839 5.142 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000096276297 535618639 /nfs/dbraw/zinc/61/86/39/535618639.db2.gz IXEUPBXOZQXREZ-NDEPHWFRSA-N 1 1 465.641 5.684 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2OC)CC1 ZINC000096275448 535618867 /nfs/dbraw/zinc/61/88/67/535618867.db2.gz HIKUVHVOXCLJOB-MHZLTWQESA-N 1 1 481.640 5.384 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Oc3ccccc3)c2)CC1 ZINC000096276742 535619367 /nfs/dbraw/zinc/61/93/67/535619367.db2.gz YAUVMZUMWYJSGM-VWLOTQADSA-N 1 1 488.031 6.300 50 0 JKAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2Cl)CC1 ZINC000096291079 535630697 /nfs/dbraw/zinc/63/06/97/535630697.db2.gz DMDNEHLEXLTEDD-OAHLLOKOSA-N 1 1 479.839 5.312 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000633993 553720061 /nfs/dbraw/zinc/72/00/61/553720061.db2.gz SUOQFINJDJGPRF-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000633988 553720096 /nfs/dbraw/zinc/72/00/96/553720096.db2.gz SUOQFINJDJGPRF-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000000634007 553720108 /nfs/dbraw/zinc/72/01/08/553720108.db2.gz WFNXXZHOFNWERT-RPBOFIJWSA-N 1 1 456.933 5.461 50 0 JKAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000000638020 553722083 /nfs/dbraw/zinc/72/20/83/553722083.db2.gz KGSBSEOZVAQGOR-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001001076 553898537 /nfs/dbraw/zinc/89/85/37/553898537.db2.gz LDMHMMCRJKBPKT-XMSQKQJNSA-N 1 1 461.389 5.667 50 0 JKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002061086 554017081 /nfs/dbraw/zinc/01/70/81/554017081.db2.gz TYMUUWSYBHKOKX-DNQXCXABSA-N 1 1 461.352 6.106 50 0 JKAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000002087357 554032805 /nfs/dbraw/zinc/03/28/05/554032805.db2.gz KIIPWXWTCHRTLY-DKLXNKCPSA-N 1 1 479.661 5.980 50 0 biogenic JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000002130047 554059885 /nfs/dbraw/zinc/05/98/85/554059885.db2.gz UZYZRISMGTUDCJ-DEPUBUJRSA-N 1 1 457.699 5.878 50 0 biogenic JKAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000002136981 554062458 /nfs/dbraw/zinc/06/24/58/554062458.db2.gz NHOWDDFUHDJVCH-MZMPZRCHSA-N 1 1 498.676 5.156 50 0 JKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@H]1C ZINC000002192331 554087356 /nfs/dbraw/zinc/08/73/56/554087356.db2.gz BJDDTLCRMPWATN-QGZVFWFLSA-N 1 1 485.422 5.953 50 0 JKAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)n(Cc1ccco1)c(-c1ccccc1)c2-c1ccccc1 ZINC000002206877 554093123 /nfs/dbraw/zinc/09/31/23/554093123.db2.gz FALDMNVTRFXNIT-UHFFFAOYSA-N 1 1 493.611 5.015 50 0 JKAAMO COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)cc1 ZINC000002216967 554098566 /nfs/dbraw/zinc/09/85/66/554098566.db2.gz ZNGHGEYZPPTOMR-JWQCQUIFSA-N 1 1 484.943 5.239 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1OC ZINC000002224363 554102482 /nfs/dbraw/zinc/10/24/82/554102482.db2.gz NNUIZEJUBGXWEP-LOSJGSFVSA-N 1 1 490.922 5.301 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002240654 554109682 /nfs/dbraw/zinc/10/96/82/554109682.db2.gz IQBYYSGMAOOFAK-ZEQRLZLVSA-N 1 1 477.351 5.806 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000002246151 554111346 /nfs/dbraw/zinc/11/13/46/554111346.db2.gz RRSNSRLPLYTGPP-DQEYMECFSA-N 1 1 490.922 5.301 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002249416 554113774 /nfs/dbraw/zinc/11/37/74/554113774.db2.gz ZLXLTACIJXDJME-JWQCQUIFSA-N 1 1 456.933 5.461 50 0 JKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002255198 554118343 /nfs/dbraw/zinc/11/83/43/554118343.db2.gz LKEULIYCPWQMLE-XZOQPEGZSA-N 1 1 465.315 5.937 50 0 JKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002255196 554118414 /nfs/dbraw/zinc/11/84/14/554118414.db2.gz LKEULIYCPWQMLE-GOTSBHOMSA-N 1 1 465.315 5.937 50 0 JKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002256178 554118928 /nfs/dbraw/zinc/11/89/28/554118928.db2.gz INDOVYBQIKSWLO-BJKOFHAPSA-N 1 1 471.358 5.562 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002256662 554119143 /nfs/dbraw/zinc/11/91/43/554119143.db2.gz PJDJOUFJHHJBQN-ZEQRLZLVSA-N 1 1 487.357 5.262 50 0 JKAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000002256901 554119455 /nfs/dbraw/zinc/11/94/55/554119455.db2.gz SKOUDPROGOLVIT-XZOQPEGZSA-N 1 1 491.776 5.907 50 0 JKAAMO CCCCCCOC(=O)c1c(N)n(-c2ccc([NH+](CC)CC)cc2)c2nc3ccccc3nc21 ZINC000002264257 554123821 /nfs/dbraw/zinc/12/38/21/554123821.db2.gz XCIZALAXXNUBBW-UHFFFAOYSA-N 1 1 459.594 5.739 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000002336982 554154274 /nfs/dbraw/zinc/15/42/74/554154274.db2.gz XYLPBLBLMBZSQR-WUFINQPMSA-N 1 1 480.568 5.631 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002343963 554157531 /nfs/dbraw/zinc/15/75/31/554157531.db2.gz YSROHBGOMFJAAA-LOSJGSFVSA-N 1 1 490.922 5.301 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002343965 554157562 /nfs/dbraw/zinc/15/75/62/554157562.db2.gz YSROHBGOMFJAAA-JWQCQUIFSA-N 1 1 490.922 5.301 50 0 JKAAMO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(N2CC[NH+](C)CC2)n1 ZINC000002396590 554183172 /nfs/dbraw/zinc/18/31/72/554183172.db2.gz IRPLVYNALRDBAH-UHFFFAOYSA-N 1 1 491.686 5.232 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1OC ZINC000002402499 554186664 /nfs/dbraw/zinc/18/66/64/554186664.db2.gz NQJQCLQLSZOSDA-FTJBHMTQSA-N 1 1 484.581 5.230 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000002429909 554204218 /nfs/dbraw/zinc/20/42/18/554204218.db2.gz UMUZRTRMHNZDNO-IZZNHLLZSA-N 1 1 486.959 5.470 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000002429908 554204226 /nfs/dbraw/zinc/20/42/26/554204226.db2.gz UMUZRTRMHNZDNO-FTJBHMTQSA-N 1 1 486.959 5.470 50 0 JKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)c1 ZINC000002542256 554233789 /nfs/dbraw/zinc/23/37/89/554233789.db2.gz NUOVBOQYXRKQLB-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000002631309 554253131 /nfs/dbraw/zinc/25/31/31/554253131.db2.gz YTNFNZQJCWOMJI-MHZLTWQESA-N 1 1 455.598 6.048 50 0 JKAAMO Cc1cccc(N2CCN(c3c(C(=O)c4ccccc4)c[nH+]c4cc5c(cc43)OCCO5)CC2)c1C ZINC000002693619 554290810 /nfs/dbraw/zinc/29/08/10/554290810.db2.gz FDDUVSVMUDBEMZ-UHFFFAOYSA-N 1 1 479.580 5.180 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1C ZINC000002713975 554299507 /nfs/dbraw/zinc/29/95/07/554299507.db2.gz GNEJLGAORIQNDI-UHFFFAOYSA-N 1 1 477.587 6.170 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1C ZINC000002714056 554299586 /nfs/dbraw/zinc/29/95/86/554299586.db2.gz XEWOXZKHLKWTCO-UHFFFAOYSA-N 1 1 459.597 6.031 50 0 JKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000002714169 554299614 /nfs/dbraw/zinc/29/96/14/554299614.db2.gz HSUABKKUDBTEBZ-IAGOWNOFSA-N 1 1 452.480 5.720 50 0 JKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)cc1 ZINC000002714201 554299683 /nfs/dbraw/zinc/29/96/83/554299683.db2.gz QERMDYLQNWKAQE-UHFFFAOYSA-N 1 1 458.487 7.027 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000002714381 554300058 /nfs/dbraw/zinc/30/00/58/554300058.db2.gz IXWYDMQNVRFVIN-DEOSSOPVSA-N 1 1 473.624 6.419 50 0 JKAAMO Fc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1 ZINC000002714662 554300409 /nfs/dbraw/zinc/30/04/09/554300409.db2.gz XWMCSVPLRKKJNP-UHFFFAOYSA-N 1 1 483.978 6.207 50 0 JKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002714780 554300461 /nfs/dbraw/zinc/30/04/61/554300461.db2.gz SWSAMKMLQFWZQW-UHFFFAOYSA-N 1 1 483.978 6.207 50 0 JKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)C[C@@H]2C)cc1 ZINC000002715115 554300676 /nfs/dbraw/zinc/30/06/76/554300676.db2.gz FOIDGXXMZGZMDV-QFIPXVFZSA-N 1 1 494.042 6.764 50 0 JKAAMO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC(C)(C)C1 ZINC000002715036 554300694 /nfs/dbraw/zinc/30/06/94/554300694.db2.gz DXEFNPCYGZGXET-NQIIRXRSSA-N 1 1 489.461 7.477 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)c1 ZINC000002714950 554300731 /nfs/dbraw/zinc/30/07/31/554300731.db2.gz YVSRMJJAAJFMNN-UHFFFAOYSA-N 1 1 458.609 6.855 50 0 JKAAMO CC(C)OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715039 554300737 /nfs/dbraw/zinc/30/07/37/554300737.db2.gz VHHORNHIJREOFN-UHFFFAOYSA-N 1 1 465.395 6.077 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002715168 554301108 /nfs/dbraw/zinc/30/11/08/554301108.db2.gz JVNDAGAZBOOJIN-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 JKAAMO Brc1ccccc1CN1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000002734483 554318522 /nfs/dbraw/zinc/31/85/22/554318522.db2.gz NXBNGBDAFOXFLA-UHFFFAOYSA-N 1 1 463.463 6.158 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002738131 554320251 /nfs/dbraw/zinc/32/02/51/554320251.db2.gz IHQDTMCPSXRLRE-IBGZPJMESA-N 1 1 464.374 5.069 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002738131 554320252 /nfs/dbraw/zinc/32/02/52/554320252.db2.gz IHQDTMCPSXRLRE-IBGZPJMESA-N 1 1 464.374 5.069 50 0 JKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000002753344 554327394 /nfs/dbraw/zinc/32/73/94/554327394.db2.gz NRXUXQLUSNSJFU-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 biogenic JKAAMO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1OC ZINC000002768646 554335136 /nfs/dbraw/zinc/33/51/36/554335136.db2.gz OIQYNOZOMQANHV-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 biogenic JKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1OC ZINC000002768646 554335140 /nfs/dbraw/zinc/33/51/40/554335140.db2.gz OIQYNOZOMQANHV-UHFFFAOYSA-N 1 1 479.573 5.085 50 0 biogenic JKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003182922 554429003 /nfs/dbraw/zinc/42/90/03/554429003.db2.gz PADOVPMRAHXREZ-SHQCIBLASA-N 1 1 466.560 5.435 50 0 JKAAMO COc1cc2c(cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1)oc1ccccc12 ZINC000003384521 554461340 /nfs/dbraw/zinc/46/13/40/554461340.db2.gz GXPISAUXUPGIFX-OAHLLOKOSA-N 1 1 454.473 5.655 50 0 JKAAMO COc1cc2c(cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1)oc1ccccc12 ZINC000003384521 554461343 /nfs/dbraw/zinc/46/13/43/554461343.db2.gz GXPISAUXUPGIFX-OAHLLOKOSA-N 1 1 454.473 5.655 50 0 JKAAMO Cc1ccc(Sc2ccc(NC(=O)C[N@H+](C)CCOc3ccc(Cl)cc3)cc2)cc1C ZINC000003491507 554466048 /nfs/dbraw/zinc/46/60/48/554466048.db2.gz NTNFMQRXPVWBFE-UHFFFAOYSA-N 1 1 455.023 6.057 50 0 JKAAMO Cc1ccc(Sc2ccc(NC(=O)C[N@@H+](C)CCOc3ccc(Cl)cc3)cc2)cc1C ZINC000003491507 554466054 /nfs/dbraw/zinc/46/60/54/554466054.db2.gz NTNFMQRXPVWBFE-UHFFFAOYSA-N 1 1 455.023 6.057 50 0 JKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2ccco2)C[C@H](C(C)(C)C)CC3)c(C)c1 ZINC000008396641 554571431 /nfs/dbraw/zinc/57/14/31/554571431.db2.gz WBKYUVIYUCXRAE-LJQANCHMSA-N 1 1 493.673 6.090 50 0 JKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH+]5CCC(Cc6ccccc6)CC5)C4=O)cc3)sc2c1 ZINC000008414533 554578407 /nfs/dbraw/zinc/57/84/07/554578407.db2.gz LSCFVOLVYMMMHD-SANMLTNESA-N 1 1 495.648 5.858 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000008739636 554641556 /nfs/dbraw/zinc/64/15/56/554641556.db2.gz VRSQERDXHFMAAL-UCNVEGJOSA-N 1 1 469.840 5.547 50 0 biogenic JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000008763675 554663820 /nfs/dbraw/zinc/66/38/20/554663820.db2.gz JZEBBYRDTLESQJ-HSZRJFAPSA-N 1 1 475.054 5.603 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2cccc(F)c2)CC1 ZINC000008763548 554663852 /nfs/dbraw/zinc/66/38/52/554663852.db2.gz PGNMAYRAIUWYRK-VWLOTQADSA-N 1 1 494.632 6.121 50 0 JKAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000008768463 554669210 /nfs/dbraw/zinc/66/92/10/554669210.db2.gz VOUZVBHUPLKNBV-YXJHDRRASA-N 1 1 498.676 5.156 50 0 biogenic JKAAMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789082 554681183 /nfs/dbraw/zinc/68/11/83/554681183.db2.gz IQWDZXKZGAIZNS-FJOUDYAESA-N 1 1 483.737 6.578 50 0 biogenic JKAAMO CCOc1ccc(Sc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)c3ccccc3n2)cc1 ZINC000008812904 554694866 /nfs/dbraw/zinc/69/48/66/554694866.db2.gz FHXLBCDYWFKJDX-NRFANRHFSA-N 1 1 477.674 6.169 50 0 JKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813170 554695339 /nfs/dbraw/zinc/69/53/39/554695339.db2.gz SQXFBKFYSZMLDC-UHFFFAOYSA-N 1 1 457.643 6.242 50 0 JKAAMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000008912086 554801608 /nfs/dbraw/zinc/80/16/08/554801608.db2.gz DRGMISLLQCFPCY-HXUWFJFHSA-N 1 1 454.611 5.254 50 0 biogenic JKAAMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912087 554801845 /nfs/dbraw/zinc/80/18/45/554801845.db2.gz DRGMISLLQCFPCY-FQEVSTJZSA-N 1 1 454.611 5.254 50 0 biogenic JKAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)Cc1ccccc1 ZINC000008912705 554803303 /nfs/dbraw/zinc/80/33/03/554803303.db2.gz RFPAONKCQYJLHU-UHFFFAOYSA-N 1 1 450.652 5.317 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000008918710 554815490 /nfs/dbraw/zinc/81/54/90/554815490.db2.gz UWXXFEJOOAEHJO-OAQYLSRUSA-N 1 1 495.733 6.439 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919215 554816023 /nfs/dbraw/zinc/81/60/23/554816023.db2.gz RXKMCOTXGAOQOZ-OAHLLOKOSA-N 1 1 490.467 5.455 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008922863 554820003 /nfs/dbraw/zinc/82/00/03/554820003.db2.gz MWTLTDDGCBTCIT-YVSHKSEASA-N 1 1 463.559 5.155 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008922879 554820011 /nfs/dbraw/zinc/82/00/11/554820011.db2.gz GWJGLKMMDJLKJA-FQEVSTJZSA-N 1 1 462.402 6.510 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000008923144 554820349 /nfs/dbraw/zinc/82/03/49/554820349.db2.gz KNADKDMXIVBJKL-HXUWFJFHSA-N 1 1 453.589 5.224 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000008923141 554820406 /nfs/dbraw/zinc/82/04/06/554820406.db2.gz KNADKDMXIVBJKL-FQEVSTJZSA-N 1 1 453.589 5.224 50 0 JKAAMO Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc1 ZINC000008923484 554820599 /nfs/dbraw/zinc/82/05/99/554820599.db2.gz GJMLPEOIEVGGIN-QHCPKHFHSA-N 1 1 461.587 5.471 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008923401 554820617 /nfs/dbraw/zinc/82/06/17/554820617.db2.gz FHELRMVYYXGKEB-HXUWFJFHSA-N 1 1 453.589 5.224 50 0 JKAAMO CCOCC1=C(c2ccccc2)[N@H+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000008926047 554822345 /nfs/dbraw/zinc/82/23/45/554822345.db2.gz WJXGFINEXFJDLP-SMCANUKXSA-N 1 1 479.664 7.365 50 0 JKAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000008927359 554824796 /nfs/dbraw/zinc/82/47/96/554824796.db2.gz VOUZVBHUPLKNBV-LESCRADOSA-N 1 1 498.676 5.156 50 0 biogenic JKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008928002 554825563 /nfs/dbraw/zinc/82/55/63/554825563.db2.gz VWUQGFORYBLXAR-NRFANRHFSA-N 1 1 467.978 5.428 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000008987242 554849869 /nfs/dbraw/zinc/84/98/69/554849869.db2.gz RDNRMBZVGWSZRJ-SFHVURJKSA-N 1 1 463.603 5.128 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(SC)cc2)cc1 ZINC000008987242 554849870 /nfs/dbraw/zinc/84/98/70/554849870.db2.gz RDNRMBZVGWSZRJ-SFHVURJKSA-N 1 1 463.603 5.128 50 0 JKAAMO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000009007657 554861054 /nfs/dbraw/zinc/86/10/54/554861054.db2.gz CVVMLEFCKQGMAH-QFWOEDSFSA-N 1 1 466.666 5.422 50 0 JKAAMO COc1ccccc1N1CC[NH+](C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000009013716 554864966 /nfs/dbraw/zinc/86/49/66/554864966.db2.gz QPOSQLHTCCYUBM-UHFFFAOYSA-N 1 1 457.618 5.274 50 0 JKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)c(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009130775 554930862 /nfs/dbraw/zinc/93/08/62/554930862.db2.gz UGHLUHMSMZINFN-XZOQPEGZSA-N 1 1 462.340 5.501 50 0 JKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000009229059 555003087 /nfs/dbraw/zinc/00/30/87/555003087.db2.gz LLXVOQAZPCPJDX-UHFFFAOYSA-N 1 1 498.646 5.388 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288152 555061707 /nfs/dbraw/zinc/06/17/07/555061707.db2.gz XVTSZIHPYNVMMC-UHFFFAOYSA-N 1 1 478.061 6.615 50 0 JKAAMO CCOc1ccccc1[C@@H]1Oc2ccc(C)cc2C2=C1[C@@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000009291918 555066576 /nfs/dbraw/zinc/06/65/76/555066576.db2.gz KCCJSAGLOUWRRA-IZLXSDGUSA-N 1 1 496.567 5.215 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292281 555067374 /nfs/dbraw/zinc/06/73/74/555067374.db2.gz ACCAQFZQTRYVJT-NSOVKSMOSA-N 1 1 480.568 5.631 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000009344646 555110097 /nfs/dbraw/zinc/11/00/97/555110097.db2.gz CFUXGCBJBNJCCV-IZZNHLLZSA-N 1 1 468.582 5.530 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000009344642 555110186 /nfs/dbraw/zinc/11/01/86/555110186.db2.gz CFUXGCBJBNJCCV-UIOOFZCWSA-N 1 1 468.582 5.530 50 0 JKAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345199 555110950 /nfs/dbraw/zinc/11/09/50/555110950.db2.gz JJGBWEFTVBXQRK-IZLXSDGUSA-N 1 1 480.568 5.631 50 0 JKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009345920 555112543 /nfs/dbraw/zinc/11/25/43/555112543.db2.gz YRVWQWKRUAXJQE-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO CCOc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009346351 555113266 /nfs/dbraw/zinc/11/32/66/555113266.db2.gz PMBCFHZWFVFZTG-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406357 555166601 /nfs/dbraw/zinc/16/66/01/555166601.db2.gz UAHIPIATTKFBNU-BGYRXZFFSA-N 1 1 460.647 5.907 50 0 JKAAMO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406440 555166656 /nfs/dbraw/zinc/16/66/56/555166656.db2.gz FQCQURDJSUIYBE-KDURUIRLSA-N 1 1 476.646 5.607 50 0 JKAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408766 555171801 /nfs/dbraw/zinc/17/18/01/555171801.db2.gz ZTYVUZQQMXWRKW-GOTSBHOMSA-N 1 1 451.032 5.357 50 0 JKAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408765 555171834 /nfs/dbraw/zinc/17/18/34/555171834.db2.gz ZTYVUZQQMXWRKW-XZOQPEGZSA-N 1 1 451.032 5.357 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433709 555204094 /nfs/dbraw/zinc/20/40/94/555204094.db2.gz VVZIVQNXIXNZMG-LIKDZFNVSA-N 1 1 479.690 5.352 50 0 JKAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=[NH+]2 ZINC000009461949 555230419 /nfs/dbraw/zinc/23/04/19/555230419.db2.gz QPGHMVXRZVMMBU-XZOQPEGZSA-N 1 1 475.321 5.392 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009462827 555231935 /nfs/dbraw/zinc/23/19/35/555231935.db2.gz GHPLSOAYGOWYSA-BJKOFHAPSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000009462828 555231941 /nfs/dbraw/zinc/23/19/41/555231941.db2.gz GHPLSOAYGOWYSA-RPWUZVMVSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)CC2)cc1 ZINC000009466857 555243361 /nfs/dbraw/zinc/24/33/61/555243361.db2.gz YOKOPICLGILQSW-UHFFFAOYSA-N 1 1 486.641 5.212 50 0 JKAAMO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000009475207 555257502 /nfs/dbraw/zinc/25/75/02/555257502.db2.gz NDLCIUBALICKBT-UHFFFAOYSA-N 1 1 471.561 5.129 50 0 JKAAMO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000009527097 555320796 /nfs/dbraw/zinc/32/07/96/555320796.db2.gz IRYMRAQYJKWKPR-UHFFFAOYSA-N 1 1 458.949 5.001 50 0 JKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000009531074 555325706 /nfs/dbraw/zinc/32/57/06/555325706.db2.gz QQTXVOHCPLFOBL-UHFFFAOYSA-N 1 1 473.580 5.617 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)c1 ZINC000009531094 555325832 /nfs/dbraw/zinc/32/58/32/555325832.db2.gz YYMSSXYOYUIAHY-UHFFFAOYSA-N 1 1 496.014 6.076 50 0 JKAAMO CC(C)c1ccc(-c2nc3sc(N4CC[NH+](C)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000013347115 555377353 /nfs/dbraw/zinc/37/73/53/555377353.db2.gz LIKFHAUJFQZQKH-UHFFFAOYSA-N 1 1 452.672 5.468 50 0 JKAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369340 555391028 /nfs/dbraw/zinc/39/10/28/555391028.db2.gz YLJQQPUDAVKPNP-HXUWFJFHSA-N 1 1 458.993 5.262 50 0 JKAAMO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc32)c1 ZINC000009673034 555396067 /nfs/dbraw/zinc/39/60/67/555396067.db2.gz SRGVXIRHHHMDMP-OYRHEFFESA-N 1 1 479.690 5.040 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674064 555398669 /nfs/dbraw/zinc/39/86/69/555398669.db2.gz VJHZRYNRITZPAE-OAQYLSRUSA-N 1 1 476.665 5.383 50 0 JKAAMO Cc1cccc(-c2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3nc2-c2cccc(C)c2)c1 ZINC000009589476 555402672 /nfs/dbraw/zinc/40/26/72/555402672.db2.gz HEOBCBFCAREUQT-QHCPKHFHSA-N 1 1 478.640 6.185 50 0 JKAAMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1 ZINC000013491634 555403540 /nfs/dbraw/zinc/40/35/40/555403540.db2.gz CPTSTFKVXWZGEV-UHFFFAOYSA-N 1 1 462.446 5.540 50 0 in-vitro JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21)Cc1ccccc1 ZINC000009680825 555408867 /nfs/dbraw/zinc/40/88/67/555408867.db2.gz DRQWXCPCMBKSFC-UHFFFAOYSA-N 1 1 494.683 7.017 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N=C(CC)c1ccccc1S2)Cc1ccccc1 ZINC000009607916 555434241 /nfs/dbraw/zinc/43/42/41/555434241.db2.gz LPIWSDWJRVOKSV-UHFFFAOYSA-N 1 1 485.697 7.104 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N=C(CCC)c1ccccc1S2)Cc1ccccc1 ZINC000009608009 555434625 /nfs/dbraw/zinc/43/46/25/555434625.db2.gz BVDALYZGTLYPGM-UHFFFAOYSA-N 1 1 499.724 7.494 50 0 JKAAMO CCOc1cc(C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)cc(Br)c1OCC(N)=O ZINC000009712601 555437341 /nfs/dbraw/zinc/43/73/41/555437341.db2.gz OPYSLVDTKZRQKD-JTQLQIEISA-N 1 1 494.188 5.009 50 0 JKAAMO CCOc1cc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)cc(Br)c1OCC(N)=O ZINC000009712602 555437399 /nfs/dbraw/zinc/43/73/99/555437399.db2.gz OPYSLVDTKZRQKD-SNVBAGLBSA-N 1 1 494.188 5.009 50 0 JKAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000009610270 555440379 /nfs/dbraw/zinc/44/03/79/555440379.db2.gz BADMWCCZYQIFGQ-XMMPIXPASA-N 1 1 487.692 5.276 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000009731901 555469280 /nfs/dbraw/zinc/46/92/80/555469280.db2.gz FURPRNVHUNFUFJ-LJQANCHMSA-N 1 1 458.389 5.485 50 0 JKAAMO S=C(c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842184 555509526 /nfs/dbraw/zinc/50/95/26/555509526.db2.gz CSNYTXWMXNTDSA-UHFFFAOYSA-N 1 1 451.433 5.532 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019879850 555525269 /nfs/dbraw/zinc/52/52/69/555525269.db2.gz WZIQBZRXXNMYCM-SANMLTNESA-N 1 1 486.641 5.512 50 0 JKAAMO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000019880671 555525895 /nfs/dbraw/zinc/52/58/95/555525895.db2.gz NDNGBYUFUUEBQM-RUZDIDTESA-N 1 1 463.647 5.298 50 0 JKAAMO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000019880674 555525904 /nfs/dbraw/zinc/52/59/04/555525904.db2.gz NDNGBYUFUUEBQM-VWLOTQADSA-N 1 1 463.647 5.298 50 0 JKAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000013592720 555527904 /nfs/dbraw/zinc/52/79/04/555527904.db2.gz LIEPOPJIKJBLKK-HCLMJZEPSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000013592720 555527907 /nfs/dbraw/zinc/52/79/07/555527907.db2.gz LIEPOPJIKJBLKK-HCLMJZEPSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890167 555529519 /nfs/dbraw/zinc/52/95/19/555529519.db2.gz PNKSXFWTVRTQRO-NDEPHWFRSA-N 1 1 492.660 5.631 50 0 JKAAMO O=C1C[C@H](c2ccccc2F)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000019899782 555535091 /nfs/dbraw/zinc/53/50/91/555535091.db2.gz QQXPYNMSWQEMLR-XMMPIXPASA-N 1 1 492.598 5.440 50 0 JKAAMO Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccco1)C[C@@H](C(C)(C)C)CC2 ZINC000019908511 555536477 /nfs/dbraw/zinc/53/64/77/555536477.db2.gz HIDAQYGTXYPQHF-SFHVURJKSA-N 1 1 479.646 5.781 50 0 JKAAMO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCN(c3ccc(F)cc3)CC2)OCCO4)cc1 ZINC000009834678 555538632 /nfs/dbraw/zinc/53/86/32/555538632.db2.gz SLMJENNXOOGZFK-UHFFFAOYSA-N 1 1 483.543 5.011 50 0 JKAAMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)n2c3ccccc3nc2N1 ZINC000019920711 555539437 /nfs/dbraw/zinc/53/94/37/555539437.db2.gz DERMPHGBXHAHBR-HHHXNRCGSA-N 1 1 498.030 5.323 50 0 JKAAMO O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000019921495 555539936 /nfs/dbraw/zinc/53/99/36/555539936.db2.gz GPPDQQGQEJGRKH-DEOSSOPVSA-N 1 1 490.607 5.007 50 0 JKAAMO Cc1cccc(-n2cnc3c2ncnc3N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000019926031 555541843 /nfs/dbraw/zinc/54/18/43/555541843.db2.gz PZTGBQQRRJRPEQ-MHZLTWQESA-N 1 1 495.030 5.689 50 0 JKAAMO Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)c12 ZINC000013640559 555547136 /nfs/dbraw/zinc/54/71/36/555547136.db2.gz VAECLGYLQNKDOP-UHFFFAOYSA-N 1 1 456.937 5.344 50 0 JKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000013640564 555547245 /nfs/dbraw/zinc/54/72/45/555547245.db2.gz ZCXZVULYJXSSTC-HKUYNNGSSA-N 1 1 472.496 5.351 50 0 JKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000009848401 555550517 /nfs/dbraw/zinc/55/05/17/555550517.db2.gz QQYBNTUZNUHRSS-FGZHOGPDSA-N 1 1 470.727 5.679 50 0 JKAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000020037565 555611432 /nfs/dbraw/zinc/61/14/32/555611432.db2.gz DZMGSZPDWIUFGW-QFIPXVFZSA-N 1 1 485.466 5.151 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1OC ZINC000013805991 555623284 /nfs/dbraw/zinc/62/32/84/555623284.db2.gz HHLHMTXLWUGYLE-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000013811185 555627282 /nfs/dbraw/zinc/62/72/82/555627282.db2.gz VEXVRBYXMBSEMZ-JWQCQUIFSA-N 1 1 490.922 5.301 50 0 JKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000020107692 555641779 /nfs/dbraw/zinc/64/17/79/555641779.db2.gz UYZLEXWCVRZGIU-UHFFFAOYSA-N 1 1 467.704 6.861 50 0 JKAAMO CN1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107683 555641886 /nfs/dbraw/zinc/64/18/86/555641886.db2.gz DRQXMIUFADVHRU-UHFFFAOYSA-N 1 1 480.703 5.377 50 0 JKAAMO CCOc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1OCC ZINC000020178283 555683738 /nfs/dbraw/zinc/68/37/38/555683738.db2.gz ANFGBIDVTGIOOF-RUZDIDTESA-N 1 1 477.992 6.109 50 0 JKAAMO COc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1OC ZINC000020178330 555683789 /nfs/dbraw/zinc/68/37/89/555683789.db2.gz OKPDBTJLFYBXNP-QHCPKHFHSA-N 1 1 467.928 5.468 50 0 JKAAMO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020180149 555686384 /nfs/dbraw/zinc/68/63/84/555686384.db2.gz GXZSORODJPBZCV-YWLYXACTSA-N 1 1 477.674 5.202 50 0 JKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020181086 555687939 /nfs/dbraw/zinc/68/79/39/555687939.db2.gz SMHXGRJCTCNUIY-KOEQRZSOSA-N 1 1 492.044 5.068 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C/c2ccc(C)cc2)C1=O ZINC000020181277 555688265 /nfs/dbraw/zinc/68/82/65/555688265.db2.gz UHJMRFHPFJXKQV-HWBIBUKPSA-N 1 1 477.674 5.246 50 0 JKAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181662 555689171 /nfs/dbraw/zinc/68/91/71/555689171.db2.gz RFQXIKDFSPDZHX-RLZFMFFCSA-N 1 1 491.701 5.213 50 0 JKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000014112796 555691311 /nfs/dbraw/zinc/69/13/11/555691311.db2.gz SALDOPYVZCPIMV-SANMLTNESA-N 1 1 485.565 5.047 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000014117494 555692701 /nfs/dbraw/zinc/69/27/01/555692701.db2.gz GQGLVMWEDVHXCV-FQEVSTJZSA-N 1 1 455.558 5.064 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000014117494 555692703 /nfs/dbraw/zinc/69/27/03/555692703.db2.gz GQGLVMWEDVHXCV-FQEVSTJZSA-N 1 1 455.558 5.064 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C)CC2)c1C ZINC000020192897 555693637 /nfs/dbraw/zinc/69/36/37/555693637.db2.gz HMJQWRIGTFETDY-OAQYLSRUSA-N 1 1 477.552 5.566 50 0 JKAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214692 555710358 /nfs/dbraw/zinc/71/03/58/555710358.db2.gz CFAFSCRUCHNSQL-AREMUKBSSA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214692 555710362 /nfs/dbraw/zinc/71/03/62/555710362.db2.gz CFAFSCRUCHNSQL-AREMUKBSSA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214692 555710365 /nfs/dbraw/zinc/71/03/65/555710365.db2.gz CFAFSCRUCHNSQL-AREMUKBSSA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214692 555710368 /nfs/dbraw/zinc/71/03/68/555710368.db2.gz CFAFSCRUCHNSQL-AREMUKBSSA-N 1 1 495.620 5.073 50 0 JKAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C(=O)NCCCSC2CCCCC2)C1 ZINC000020240911 555736193 /nfs/dbraw/zinc/73/61/93/555736193.db2.gz XUSHOEPIPIIBMM-JOCHJYFZSA-N 1 1 469.695 5.743 50 0 JKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)c(C)o2)cc1 ZINC000020240921 555736576 /nfs/dbraw/zinc/73/65/76/555736576.db2.gz WMAVXUPHUAVQOJ-QFIPXVFZSA-N 1 1 451.998 5.394 50 0 JKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020240986 555736630 /nfs/dbraw/zinc/73/66/30/555736630.db2.gz DURNCYDAOVCTLP-ZJSXRUAMSA-N 1 1 464.009 5.709 50 0 JKAAMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241383 555736772 /nfs/dbraw/zinc/73/67/72/555736772.db2.gz BAABIFGTXNHFLE-OATMUCBLSA-N 1 1 466.497 5.488 50 0 JKAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241378 555737032 /nfs/dbraw/zinc/73/70/32/555737032.db2.gz BAABIFGTXNHFLE-NZCFZJHXSA-N 1 1 466.497 5.488 50 0 JKAAMO CCCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000020347258 555779641 /nfs/dbraw/zinc/77/96/41/555779641.db2.gz WFBBSZGLSPSKIB-UHFFFAOYSA-N 1 1 493.445 5.785 50 0 JKAAMO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1Cl ZINC000020532148 555800425 /nfs/dbraw/zinc/80/04/25/555800425.db2.gz CXVKVYXXDKNLDB-QFIPXVFZSA-N 1 1 485.097 6.788 50 0 JKAAMO CCOc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532166 555800446 /nfs/dbraw/zinc/80/04/46/555800446.db2.gz YEAOGRYJZRIBSZ-JOCHJYFZSA-N 1 1 480.678 6.224 50 0 JKAAMO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532157 555800459 /nfs/dbraw/zinc/80/04/59/555800459.db2.gz CXMJICNVTSYAKF-JOCHJYFZSA-N 1 1 450.652 6.134 50 0 JKAAMO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1Cl ZINC000020532147 555800468 /nfs/dbraw/zinc/80/04/68/555800468.db2.gz CXVKVYXXDKNLDB-JOCHJYFZSA-N 1 1 485.097 6.788 50 0 JKAAMO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1C ZINC000020532149 555800490 /nfs/dbraw/zinc/80/04/90/555800490.db2.gz JOPWXRBWGPTFKS-HSZRJFAPSA-N 1 1 464.679 6.443 50 0 JKAAMO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532158 555800515 /nfs/dbraw/zinc/80/05/15/555800515.db2.gz CXMJICNVTSYAKF-QFIPXVFZSA-N 1 1 450.652 6.134 50 0 JKAAMO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1F ZINC000020532170 555800530 /nfs/dbraw/zinc/80/05/30/555800530.db2.gz ZGCZAXXBIJHCLO-QFIPXVFZSA-N 1 1 468.642 6.273 50 0 JKAAMO CC(C)CC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532178 555800960 /nfs/dbraw/zinc/80/09/60/555800960.db2.gz VJGABLCCOSXGIA-NRFANRHFSA-N 1 1 494.661 5.597 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532175 555800984 /nfs/dbraw/zinc/80/09/84/555800984.db2.gz FZMSNDRRYKMKQY-NRFANRHFSA-N 1 1 480.678 6.143 50 0 JKAAMO CC(C)CC[C@H](NC(=O)NCc1ccccc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532182 555800996 /nfs/dbraw/zinc/80/09/96/555800996.db2.gz JABICFYXMPDGGP-QFIPXVFZSA-N 1 1 450.652 5.503 50 0 JKAAMO CC(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532177 555801034 /nfs/dbraw/zinc/80/10/34/555801034.db2.gz VJGABLCCOSXGIA-OAQYLSRUSA-N 1 1 494.661 5.597 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccccc2OC)C1 ZINC000020532183 555801044 /nfs/dbraw/zinc/80/10/44/555801044.db2.gz APVITPSWJNWBGP-JOCHJYFZSA-N 1 1 480.678 6.224 50 0 JKAAMO CCOCCCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532207 555801074 /nfs/dbraw/zinc/80/10/74/555801074.db2.gz BWYZFVSZPXLGIR-NRFANRHFSA-N 1 1 460.688 5.120 50 0 JKAAMO CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532223 555801166 /nfs/dbraw/zinc/80/11/66/555801166.db2.gz SERZXRBTGGVFSU-LJQANCHMSA-N 1 1 452.624 5.507 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020532247 555801417 /nfs/dbraw/zinc/80/14/17/555801417.db2.gz ATGBNPYKOIJJLY-MRXNPFEDSA-N 1 1 487.467 5.870 50 0 JKAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC[C@H](COc3cccc(C[N@@H+](C)Cc4cnn(C)c4)c3)C2)c1C ZINC000011782370 555812741 /nfs/dbraw/zinc/81/27/41/555812741.db2.gz HIPYRCXBVDVKCW-DEOSSOPVSA-N 1 1 499.659 5.081 50 0 JKAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC[C@H](COc3cccc(C[N@H+](C)Cc4cnn(C)c4)c3)C2)c1C ZINC000011782370 555812743 /nfs/dbraw/zinc/81/27/43/555812743.db2.gz HIPYRCXBVDVKCW-DEOSSOPVSA-N 1 1 499.659 5.081 50 0 JKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)cc1C ZINC000020562245 555813651 /nfs/dbraw/zinc/81/36/51/555813651.db2.gz QRYNQAFYIJUYKQ-UHFFFAOYSA-N 1 1 450.586 5.241 50 0 JKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000011784525 555816299 /nfs/dbraw/zinc/81/62/99/555816299.db2.gz DPRFQQXTEBBHQO-HOFKKMOUSA-N 1 1 484.669 5.455 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000011787099 555820885 /nfs/dbraw/zinc/82/08/85/555820885.db2.gz RBXLNBQDOMWAMJ-ZDUSSCGKSA-N 1 1 475.973 5.360 50 0 JKAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535729 555824634 /nfs/dbraw/zinc/82/46/34/555824634.db2.gz NDVMBFFOAUPVAA-WIOPSUGQSA-N 1 1 460.593 5.555 50 0 JKAAMO O=C(NC1CCCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014536317 555825411 /nfs/dbraw/zinc/82/54/11/555825411.db2.gz QJYPQMDBWCOSKV-FCHUYYIVSA-N 1 1 474.567 5.671 50 0 JKAAMO C[N@@H+](Cc1ccc(OCCNC(=O)[C@H]2CCOC(C)(C)C2)cc1)Cc1cccc2ccccc21 ZINC000014999423 555843746 /nfs/dbraw/zinc/84/37/46/555843746.db2.gz MWWUEKFAMVCJRX-DEOSSOPVSA-N 1 1 460.618 5.172 50 0 JKAAMO COc1cc(/C=C/C[N@H+](C)Cc2nc(-c3ccccc3NC(=O)c3ccsc3)oc2C)ccc1O ZINC000014999914 555844324 /nfs/dbraw/zinc/84/43/24/555844324.db2.gz JCQLWTJIVIRTQI-VOTSOKGWSA-N 1 1 489.597 5.823 50 0 JKAAMO COc1cc(/C=C/C[N@@H+](C)Cc2nc(-c3ccccc3NC(=O)c3ccsc3)oc2C)ccc1O ZINC000014999914 555844326 /nfs/dbraw/zinc/84/43/26/555844326.db2.gz JCQLWTJIVIRTQI-VOTSOKGWSA-N 1 1 489.597 5.823 50 0 JKAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011873355 555847943 /nfs/dbraw/zinc/84/79/43/555847943.db2.gz PZSPKAHQKPDSKH-UHFFFAOYSA-N 1 1 450.526 5.548 50 0 JKAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795550 555856247 /nfs/dbraw/zinc/85/62/47/555856247.db2.gz HLRKBJXDXLEOLY-UHFFFAOYSA-N 1 1 462.554 5.180 50 0 JKAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795550 555856250 /nfs/dbraw/zinc/85/62/50/555856250.db2.gz HLRKBJXDXLEOLY-UHFFFAOYSA-N 1 1 462.554 5.180 50 0 JKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000011909841 555856987 /nfs/dbraw/zinc/85/69/87/555856987.db2.gz BNAZRCAGTPOJSG-RUZDIDTESA-N 1 1 499.680 6.392 50 0 JKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccccc1F ZINC000011910320 555857679 /nfs/dbraw/zinc/85/76/79/555857679.db2.gz NAPWFYGEICKPOR-FQEVSTJZSA-N 1 1 474.601 6.765 50 0 JKAAMO O=C1CCCc2c3ccccc3n(CCCN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c21 ZINC000022035488 555865191 /nfs/dbraw/zinc/86/51/91/555865191.db2.gz ZTLJKVOKAFULTA-UHFFFAOYSA-N 1 1 477.652 5.958 50 0 JKAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000015069524 555869511 /nfs/dbraw/zinc/86/95/11/555869511.db2.gz ZDGFDAVCRPRIOV-RUZDIDTESA-N 1 1 460.593 5.431 50 0 JKAAMO C[C@H]([NH2+]Cc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3)c1ccco1 ZINC000011971276 555873884 /nfs/dbraw/zinc/87/38/84/555873884.db2.gz VKPHORKWRUGLPP-KRWDZBQOSA-N 1 1 466.503 6.001 50 0 JKAAMO COc1ccc(OC)c([C@@H]2C[C@](O)(c3ccccc3OC)[C@@H](C)[C@@H](c3cc(OC)ccc3OC)[NH2+]2)c1 ZINC000022215426 555884904 /nfs/dbraw/zinc/88/49/04/555884904.db2.gz QJHGSBGTDQYCNJ-CWRXBRHGSA-N 1 1 493.600 5.029 50 0 JKAAMO Cc1c(C)n(-c2ccccc2)c(=S)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=O ZINC000015226609 555887265 /nfs/dbraw/zinc/88/72/65/555887265.db2.gz DIXYFABLQZLKIJ-UHFFFAOYSA-N 1 1 494.664 5.490 50 0 JKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O)c(Cl)c3)C2)cc1 ZINC000012058206 555899139 /nfs/dbraw/zinc/89/91/39/555899139.db2.gz RFLFASDGHWWOFX-HXUWFJFHSA-N 1 1 450.966 5.572 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCc2cccc(F)c2)cc1 ZINC000012098421 555905495 /nfs/dbraw/zinc/90/54/95/555905495.db2.gz LZJQMBAEBLQLIZ-OZXSUGGESA-N 1 1 488.632 5.105 50 0 JKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)C2CC2)c1)Cc1cccc2cccnc21 ZINC000012099047 555906343 /nfs/dbraw/zinc/90/63/43/555906343.db2.gz KTCZOWLEOKMGQP-AREMUKBSSA-N 1 1 457.618 5.427 50 0 JKAAMO CCC[N@@H+]1CC(=Cc2cccc3ccccc23)C2=NC(=S)N[C@@H](c3cccc4ccccc43)C2C1 ZINC000015636301 555920734 /nfs/dbraw/zinc/92/07/34/555920734.db2.gz CCBFBQSLGTZNJH-ZZHMVEQJSA-N 1 1 475.661 6.575 50 0 JKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000012150631 555922725 /nfs/dbraw/zinc/92/27/25/555922725.db2.gz VRMNRJUBAWTZCQ-FTJBHMTQSA-N 1 1 490.669 6.434 50 0 JKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000012150631 555922728 /nfs/dbraw/zinc/92/27/28/555922728.db2.gz VRMNRJUBAWTZCQ-FTJBHMTQSA-N 1 1 490.669 6.434 50 0 JKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000012151108 555923442 /nfs/dbraw/zinc/92/34/42/555923442.db2.gz GUBUELQILWBMHA-OZXSUGGESA-N 1 1 486.641 5.615 50 0 JKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000012151108 555923444 /nfs/dbraw/zinc/92/34/44/555923444.db2.gz GUBUELQILWBMHA-OZXSUGGESA-N 1 1 486.641 5.615 50 0 JKAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC1CCCCC1 ZINC000012151297 555923769 /nfs/dbraw/zinc/92/37/69/555923769.db2.gz QNYDIEXUDUXPDV-DHLKQENFSA-N 1 1 480.653 5.176 50 0 JKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)[nH+]1 ZINC000015671213 555928319 /nfs/dbraw/zinc/92/83/19/555928319.db2.gz SSRQVERKMUIQOE-UHFFFAOYSA-N 1 1 456.344 5.127 50 0 JKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000015671213 555928321 /nfs/dbraw/zinc/92/83/21/555928321.db2.gz SSRQVERKMUIQOE-UHFFFAOYSA-N 1 1 456.344 5.127 50 0 JKAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000012157830 555928968 /nfs/dbraw/zinc/92/89/68/555928968.db2.gz AGPSQIUFHFOWSB-QEYQTOMISA-N 1 1 485.676 5.374 50 0 JKAAMO COc1ccc(/C=C/C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012162942 555931628 /nfs/dbraw/zinc/93/16/28/555931628.db2.gz WDKDXJONLPACMN-OVAAIJKMSA-N 1 1 458.524 5.240 50 0 JKAAMO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CC[N@@H+](C)C2CCCCC2)C3=O)s1 ZINC000015673241 555932007 /nfs/dbraw/zinc/93/20/07/555932007.db2.gz UIJKTELPEHVNNU-MUUNZHRXSA-N 1 1 498.737 5.193 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675641 555934137 /nfs/dbraw/zinc/93/41/37/555934137.db2.gz USBLMRWLZXNQLB-BTYSJIOQSA-N 1 1 496.696 5.333 50 0 JKAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675667 555934156 /nfs/dbraw/zinc/93/41/56/555934156.db2.gz ZASWSVJJXYDRTJ-GDLZYMKVSA-N 1 1 496.696 5.333 50 0 JKAAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)c2ccccc12 ZINC000012211758 555943108 /nfs/dbraw/zinc/94/31/08/555943108.db2.gz TVOBNUQIHMTCOI-QPPBQGQZSA-N 1 1 450.579 5.001 50 0 JKAAMO Cc1ccccc1-c1cc2c(c(OC[C@H]3CCOC3)c1)OCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000012211788 555943400 /nfs/dbraw/zinc/94/34/00/555943400.db2.gz FYEGXGHGWQNFEF-QHCPKHFHSA-N 1 1 480.608 6.020 50 0 JKAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)c2-n2cccc2)cc1 ZINC000015681283 555950229 /nfs/dbraw/zinc/95/02/29/555950229.db2.gz HFDSIZULSITTEF-UHFFFAOYSA-N 1 1 455.606 5.002 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682144 555951522 /nfs/dbraw/zinc/95/15/22/555951522.db2.gz NOULYPZJGSRMQL-SZPZYZBQSA-N 1 1 475.633 5.635 50 0 JKAAMO Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)cc2)ccc1Cl ZINC000022918004 555971990 /nfs/dbraw/zinc/97/19/90/555971990.db2.gz LZLMQRXLVITXNZ-VMPITWQZSA-N 1 1 460.021 5.732 50 0 JKAAMO Cc1cc(NC(=O)c2ccc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)ccc1Cl ZINC000022918004 555971991 /nfs/dbraw/zinc/97/19/91/555971991.db2.gz LZLMQRXLVITXNZ-VMPITWQZSA-N 1 1 460.021 5.732 50 0 JKAAMO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022924886 555976947 /nfs/dbraw/zinc/97/69/47/555976947.db2.gz IPYZWZOSRVLJDW-HKBQPEDESA-N 1 1 492.663 5.561 50 0 JKAAMO COc1cccc(OC)c1OCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022927180 555978178 /nfs/dbraw/zinc/97/81/78/555978178.db2.gz HZBMEGYUPNJSGC-UHFFFAOYSA-N 1 1 460.618 5.270 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000022938232 555991402 /nfs/dbraw/zinc/99/14/02/555991402.db2.gz FKNNUMIDPMBVSS-DEOSSOPVSA-N 1 1 480.033 6.127 50 0 JKAAMO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022938254 555991414 /nfs/dbraw/zinc/99/14/14/555991414.db2.gz DIKHLYQSIKAOIQ-DEOSSOPVSA-N 1 1 477.655 5.805 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022938281 555991509 /nfs/dbraw/zinc/99/15/09/555991509.db2.gz IREIZBRQKPFTQN-SANMLTNESA-N 1 1 474.004 6.065 50 0 JKAAMO CC[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000022938298 555991771 /nfs/dbraw/zinc/99/17/71/555991771.db2.gz IOLFYYVNHHJNPF-AREMUKBSSA-N 1 1 474.004 6.065 50 0 JKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022938321 555991776 /nfs/dbraw/zinc/99/17/76/555991776.db2.gz LOVMEINPVBPQFA-SANMLTNESA-N 1 1 474.004 5.984 50 0 JKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)c(C)c3)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524752 555994017 /nfs/dbraw/zinc/99/40/17/555994017.db2.gz DMAGTCZDTONWKH-PGUFJCEWSA-N 1 1 485.656 8.789 50 0 JKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)cc3)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524745 555994049 /nfs/dbraw/zinc/99/40/49/555994049.db2.gz GVXMHEWJMHYEPP-UMSFTDKQSA-N 1 1 471.629 8.480 50 0 JKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)cc3)(N3CCCCC3)C(C)(C)C)ccc21 ZINC000012524744 555994063 /nfs/dbraw/zinc/99/40/63/555994063.db2.gz GVXMHEWJMHYEPP-UUWRZZSWSA-N 1 1 471.629 8.480 50 0 JKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776887 555996485 /nfs/dbraw/zinc/99/64/85/555996485.db2.gz YFICOSZTYGGPED-UHFFFAOYSA-N 1 1 465.613 5.381 50 0 JKAAMO O=C(CCSc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015822216 556010458 /nfs/dbraw/zinc/01/04/58/556010458.db2.gz KXMFJPYSAOTADH-UHFFFAOYSA-N 1 1 451.035 5.756 50 0 JKAAMO Clc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)cc1 ZINC000015830591 556016759 /nfs/dbraw/zinc/01/67/59/556016759.db2.gz WZLCCEAXICSAQO-NRFANRHFSA-N 1 1 468.782 6.074 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182468 556028737 /nfs/dbraw/zinc/02/87/37/556028737.db2.gz LKOFQHKTBSYWAR-GAJHUEQPSA-N 1 1 489.085 5.779 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182410 556028742 /nfs/dbraw/zinc/02/87/42/556028742.db2.gz FWTFCZVDZKIDBR-DVECYGJZSA-N 1 1 468.667 5.434 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182488 556028770 /nfs/dbraw/zinc/02/87/70/556028770.db2.gz DICSQDSHNMSUBB-DVECYGJZSA-N 1 1 468.667 5.434 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023182504 556029026 /nfs/dbraw/zinc/02/90/26/556029026.db2.gz JDSSXESZIAALLY-NLFFAJNJSA-N 1 1 482.694 5.742 50 0 JKAAMO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182675 556029091 /nfs/dbraw/zinc/02/90/91/556029091.db2.gz GEWNVDHAGZJTKL-GAJHUEQPSA-N 1 1 473.017 5.614 50 0 JKAAMO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182679 556029136 /nfs/dbraw/zinc/02/91/36/556029136.db2.gz GEWNVDHAGZJTKL-HXOBKFHXSA-N 1 1 473.017 5.614 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Br)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859540 556030453 /nfs/dbraw/zinc/03/04/53/556030453.db2.gz XLXNOJYIDBBORK-VWLOTQADSA-N 1 1 489.413 7.023 50 0 JKAAMO Cc1[nH]c2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000015859779 556030969 /nfs/dbraw/zinc/03/09/69/556030969.db2.gz FDOWNRHHFHJNBL-MHZLTWQESA-N 1 1 481.987 6.682 50 0 JKAAMO C[C@H](c1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012553603 556037326 /nfs/dbraw/zinc/03/73/26/556037326.db2.gz WSEKAOIJNLNYJY-CVEARBPZSA-N 1 1 470.643 5.425 50 0 JKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c(C)o1 ZINC000015864832 556040448 /nfs/dbraw/zinc/04/04/48/556040448.db2.gz CQDBGAMKGCDYII-HHHXNRCGSA-N 1 1 470.638 6.747 50 0 JKAAMO COc1ccccc1-c1nc(C[N@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c(C)o1 ZINC000015864832 556040453 /nfs/dbraw/zinc/04/04/53/556040453.db2.gz CQDBGAMKGCDYII-HHHXNRCGSA-N 1 1 470.638 6.747 50 0 JKAAMO Cc1oc(-c2cc(C)ccc2C)nc1C[N@H+]1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000015864833 556040740 /nfs/dbraw/zinc/04/07/40/556040740.db2.gz NSTLOZXLMKHIOX-NDEPHWFRSA-N 1 1 468.666 7.355 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cccc(Cl)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864890 556040764 /nfs/dbraw/zinc/04/07/64/556040764.db2.gz UJCJDNFRTHJOLM-VWLOTQADSA-N 1 1 463.046 7.383 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]2c1ccccc1 ZINC000015864858 556040847 /nfs/dbraw/zinc/04/08/47/556040847.db2.gz JPQKAUOGVBHQSI-DEOSSOPVSA-N 1 1 455.023 5.867 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]2c1ccccc1 ZINC000015864858 556040848 /nfs/dbraw/zinc/04/08/48/556040848.db2.gz JPQKAUOGVBHQSI-DEOSSOPVSA-N 1 1 455.023 5.867 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(Cl)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864887 556040876 /nfs/dbraw/zinc/04/08/76/556040876.db2.gz QRQUPFUVNJGUDI-RUZDIDTESA-N 1 1 463.046 7.383 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]2c1ccccc1 ZINC000015864857 556040883 /nfs/dbraw/zinc/04/08/83/556040883.db2.gz JPQKAUOGVBHQSI-XMMPIXPASA-N 1 1 455.023 5.867 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]2c1ccccc1 ZINC000015864857 556040885 /nfs/dbraw/zinc/04/08/85/556040885.db2.gz JPQKAUOGVBHQSI-XMMPIXPASA-N 1 1 455.023 5.867 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc12)CC1CC1 ZINC000023333103 556043368 /nfs/dbraw/zinc/04/33/68/556043368.db2.gz KHQSTCWLWKBRSG-UHFFFAOYSA-N 1 1 459.512 5.983 50 0 JKAAMO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334783 556044023 /nfs/dbraw/zinc/04/40/23/556044023.db2.gz BHPXEPCZAYFHBC-UHFFFAOYSA-N 1 1 459.421 5.854 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334636 556044112 /nfs/dbraw/zinc/04/41/12/556044112.db2.gz GIYLLIDVDKLHRL-QGZVFWFLSA-N 1 1 471.432 6.045 50 0 JKAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334636 556044113 /nfs/dbraw/zinc/04/41/13/556044113.db2.gz GIYLLIDVDKLHRL-QGZVFWFLSA-N 1 1 471.432 6.045 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334636 556044114 /nfs/dbraw/zinc/04/41/14/556044114.db2.gz GIYLLIDVDKLHRL-QGZVFWFLSA-N 1 1 471.432 6.045 50 0 JKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023335057 556044279 /nfs/dbraw/zinc/04/42/79/556044279.db2.gz QMWMJRCAPPRMHF-SFHVURJKSA-N 1 1 472.555 6.003 50 0 JKAAMO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023335061 556044294 /nfs/dbraw/zinc/04/42/94/556044294.db2.gz UYGCLUHAFFYZFE-UHFFFAOYSA-N 1 1 457.405 5.464 50 0 JKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336180 556045803 /nfs/dbraw/zinc/04/58/03/556045803.db2.gz SXGRLJCXSRVWSI-HSZRJFAPSA-N 1 1 487.692 5.974 50 0 JKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnc3sc4ccccc4n23)n1 ZINC000012557724 556046011 /nfs/dbraw/zinc/04/60/11/556046011.db2.gz RGRAPFVCVAHBTR-UHFFFAOYSA-N 1 1 454.650 5.559 50 0 JKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023336229 556046110 /nfs/dbraw/zinc/04/61/10/556046110.db2.gz XAZJEZMLTAGIQI-LJQANCHMSA-N 1 1 460.622 5.091 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012559133 556049714 /nfs/dbraw/zinc/04/97/14/556049714.db2.gz PADOVPMRAHXREZ-RPLLCQBOSA-N 1 1 466.560 5.435 50 0 JKAAMO O=C(c1cc(-c2cccc3ccccc32)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012563476 556058502 /nfs/dbraw/zinc/05/85/02/556058502.db2.gz VBARXLFWWAMRMN-UHFFFAOYSA-N 1 1 457.577 6.013 50 0 JKAAMO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@H+]4CCc5ccccc5C4)c3c2)cc1 ZINC000023451330 556065948 /nfs/dbraw/zinc/06/59/48/556065948.db2.gz WAWMHCHQQDASIT-UHFFFAOYSA-N 1 1 465.641 6.754 50 0 JKAAMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012568238 556068424 /nfs/dbraw/zinc/06/84/24/556068424.db2.gz RZDKWHFHHRBJGE-UHFFFAOYSA-N 1 1 453.977 6.010 50 0 JKAAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012568238 556068430 /nfs/dbraw/zinc/06/84/30/556068430.db2.gz RZDKWHFHHRBJGE-UHFFFAOYSA-N 1 1 453.977 6.010 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3c(C)onc3-c3ccccc3)cc12)CC1CC1 ZINC000023455931 556068705 /nfs/dbraw/zinc/06/87/05/556068705.db2.gz CXRWHZKJQOPIAZ-UHFFFAOYSA-N 1 1 456.590 6.048 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000023467589 556073165 /nfs/dbraw/zinc/07/31/65/556073165.db2.gz AAQWUXAIKSJXNF-SSKOMTKWSA-N 1 1 474.645 5.503 50 0 JKAAMO CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000015945023 556081322 /nfs/dbraw/zinc/08/13/22/556081322.db2.gz ZESDWBJBRODFIF-AREMUKBSSA-N 1 1 469.610 5.712 50 0 JKAAMO CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000015945023 556081326 /nfs/dbraw/zinc/08/13/26/556081326.db2.gz ZESDWBJBRODFIF-AREMUKBSSA-N 1 1 469.610 5.712 50 0 JKAAMO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH+]3CCCCCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946052 556082154 /nfs/dbraw/zinc/08/21/54/556082154.db2.gz RKPUEMBGGWSYMF-IBGZPJMESA-N 1 1 467.679 5.966 50 0 JKAAMO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCCCCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946050 556082163 /nfs/dbraw/zinc/08/21/63/556082163.db2.gz RKPUEMBGGWSYMF-LJQANCHMSA-N 1 1 467.679 5.966 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946371 556082860 /nfs/dbraw/zinc/08/28/60/556082860.db2.gz RNGSBOPJNCDTOM-XMMPIXPASA-N 1 1 491.613 5.561 50 0 JKAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@H](C(C)(C)C)CC3)c1 ZINC000015946730 556083704 /nfs/dbraw/zinc/08/37/04/556083704.db2.gz CUXMTUGTLXTRCH-HXUWFJFHSA-N 1 1 481.706 6.274 50 0 JKAAMO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)o2)cc1 ZINC000015947076 556084379 /nfs/dbraw/zinc/08/43/79/556084379.db2.gz SDIIJIIZINNLGC-JOCHJYFZSA-N 1 1 465.575 5.380 50 0 JKAAMO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)o2)cc1 ZINC000015947074 556084423 /nfs/dbraw/zinc/08/44/23/556084423.db2.gz SDIIJIIZINNLGC-QFIPXVFZSA-N 1 1 465.575 5.380 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000015947064 556084438 /nfs/dbraw/zinc/08/44/38/556084438.db2.gz HVIPCSKWCZXTMF-VWLOTQADSA-N 1 1 477.630 5.921 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000015947157 556084719 /nfs/dbraw/zinc/08/47/19/556084719.db2.gz VVKXYCTZWMEDLW-HSZRJFAPSA-N 1 1 495.576 5.312 50 0 JKAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)sc2c1CCCC2 ZINC000012638621 556095705 /nfs/dbraw/zinc/09/57/05/556095705.db2.gz CWJAXQXXDQAPAF-QGZVFWFLSA-N 1 1 455.624 5.233 50 0 JKAAMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)C2CCCCC2)sc(Br)c1-c1ccccc1 ZINC000015980418 556099287 /nfs/dbraw/zinc/09/92/87/556099287.db2.gz DWXWCWPPENKTGO-UHFFFAOYSA-N 1 1 479.440 5.557 50 0 JKAAMO O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000012660325 556100626 /nfs/dbraw/zinc/10/06/26/556100626.db2.gz CWLBJKAFUSVHKO-INIZCTEOSA-N 1 1 489.400 6.041 50 0 biogenic JKAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015982286 556100804 /nfs/dbraw/zinc/10/08/04/556100804.db2.gz PTAWJSWNQUDTLI-LJAQVGFWSA-N 1 1 463.581 5.658 50 0 JKAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015982286 556100808 /nfs/dbraw/zinc/10/08/08/556100808.db2.gz PTAWJSWNQUDTLI-LJAQVGFWSA-N 1 1 463.581 5.658 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016010307 556110126 /nfs/dbraw/zinc/11/01/26/556110126.db2.gz IGKNYERIRUINBP-SUHSUELASA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016010307 556110127 /nfs/dbraw/zinc/11/01/27/556110127.db2.gz IGKNYERIRUINBP-SUHSUELASA-N 1 1 474.601 5.164 50 0 JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@H+](C)CC3)OCO2 ZINC000012861099 556119685 /nfs/dbraw/zinc/11/96/85/556119685.db2.gz NHRVEPPXQUAVEI-XJTARGMPSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@@H+](C)CC3)OCO2 ZINC000012861099 556119688 /nfs/dbraw/zinc/11/96/88/556119688.db2.gz NHRVEPPXQUAVEI-XJTARGMPSA-N 1 1 453.623 5.855 50 0 biogenic JKAAMO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041861 556121815 /nfs/dbraw/zinc/12/18/15/556121815.db2.gz QEHNLADBQYXELH-UNWVZKJWSA-N 1 1 483.867 5.476 50 0 JKAAMO O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012908974 556128104 /nfs/dbraw/zinc/12/81/04/556128104.db2.gz HUBYSJSUNXCRRI-FQEVSTJZSA-N 1 1 496.080 5.196 50 0 JKAAMO COc1ccc(-c2cc(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3c3cccs3)on2)cc1 ZINC000024527607 556133660 /nfs/dbraw/zinc/13/36/60/556133660.db2.gz UZQOXUPPFLTNJO-AREMUKBSSA-N 1 1 462.571 5.577 50 0 JKAAMO COc1ccc(-c2cc(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3c3cccs3)on2)cc1 ZINC000024527607 556133663 /nfs/dbraw/zinc/13/36/63/556133663.db2.gz UZQOXUPPFLTNJO-AREMUKBSSA-N 1 1 462.571 5.577 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000016712884 556154344 /nfs/dbraw/zinc/15/43/44/556154344.db2.gz JPBKIHTWERRATA-JOCHJYFZSA-N 1 1 494.042 6.764 50 0 JKAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000024822082 556156518 /nfs/dbraw/zinc/15/65/18/556156518.db2.gz DVMTXTIRXWGFTD-JOCHJYFZSA-N 1 1 493.629 5.573 50 0 JKAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000024822082 556156522 /nfs/dbraw/zinc/15/65/22/556156522.db2.gz DVMTXTIRXWGFTD-JOCHJYFZSA-N 1 1 493.629 5.573 50 0 JKAAMO O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012959958 556162538 /nfs/dbraw/zinc/16/25/38/556162538.db2.gz FLQRUSKLEGLBEO-XNTDXEJSSA-N 1 1 491.429 5.386 50 0 JKAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccc(C)cc3)cc2)cc1 ZINC000012973868 556165474 /nfs/dbraw/zinc/16/54/74/556165474.db2.gz ZETRKNKAAJVNBK-HHHXNRCGSA-N 1 1 485.609 5.635 50 0 JKAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000025035406 556172881 /nfs/dbraw/zinc/17/28/81/556172881.db2.gz BHNNAPLHUVHZIM-HNNXBMFYSA-N 1 1 474.026 5.024 50 0 JKAAMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025152435 556193440 /nfs/dbraw/zinc/19/34/40/556193440.db2.gz VKRHKYZFDOTLKT-NRFANRHFSA-N 1 1 485.607 5.529 50 0 JKAAMO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025480677 556217982 /nfs/dbraw/zinc/21/79/82/556217982.db2.gz VMWDHIIJYAIHAK-UHFFFAOYSA-N 1 1 481.596 5.418 50 0 JKAAMO CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000025560698 556221458 /nfs/dbraw/zinc/22/14/58/556221458.db2.gz PNTNMFDRXVFTKX-LOSJGSFVSA-N 1 1 455.949 5.210 50 0 JKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000025575493 556222495 /nfs/dbraw/zinc/22/24/95/556222495.db2.gz NJYCIRZRZFXRHS-GOTSBHOMSA-N 1 1 481.770 6.451 50 0 JKAAMO Fc1ccccc1C[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000013030341 556225409 /nfs/dbraw/zinc/22/54/09/556225409.db2.gz CCADBQHAKRWEGL-UHFFFAOYSA-N 1 1 459.594 5.093 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000013038806 556237689 /nfs/dbraw/zinc/23/76/89/556237689.db2.gz JJGMXCGHIBRPTR-UHFFFAOYSA-N 1 1 485.650 5.305 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000017288779 556251442 /nfs/dbraw/zinc/25/14/42/556251442.db2.gz AZBWJNGXYBGLDU-UHFFFAOYSA-N 1 1 455.555 5.933 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000017288779 556251445 /nfs/dbraw/zinc/25/14/45/556251445.db2.gz AZBWJNGXYBGLDU-UHFFFAOYSA-N 1 1 455.555 5.933 50 0 JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCOc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288764 556251472 /nfs/dbraw/zinc/25/14/72/556251472.db2.gz OGOHEHDKGQODPM-UHFFFAOYSA-N 1 1 463.628 5.810 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCOc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288764 556251476 /nfs/dbraw/zinc/25/14/76/556251476.db2.gz OGOHEHDKGQODPM-UHFFFAOYSA-N 1 1 463.628 5.810 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057145 556251989 /nfs/dbraw/zinc/25/19/89/556251989.db2.gz MLHUBWCVTUKBSI-CALCHBBNSA-N 1 1 485.650 5.019 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057145 556251993 /nfs/dbraw/zinc/25/19/93/556251993.db2.gz MLHUBWCVTUKBSI-CALCHBBNSA-N 1 1 485.650 5.019 50 0 JKAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013057141 556252065 /nfs/dbraw/zinc/25/20/65/556252065.db2.gz MLHUBWCVTUKBSI-IAGOWNOFSA-N 1 1 485.650 5.019 50 0 JKAAMO Cc1c(Cl)cccc1N1CC[NH+](C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571242 556257542 /nfs/dbraw/zinc/25/75/42/556257542.db2.gz BIYDTIHJIYXHHP-OAQYLSRUSA-N 1 1 489.841 5.126 50 0 JKAAMO COc1ccccc1[C@](O)(c1ccc(OCCC(C)C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000027242718 556275694 /nfs/dbraw/zinc/27/56/94/556275694.db2.gz BELXYVCEEJINES-BVRKHOPBSA-N 1 1 489.656 5.472 50 0 JKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000013096845 556292085 /nfs/dbraw/zinc/29/20/85/556292085.db2.gz JBENXXOBFSBGFG-QHCPKHFHSA-N 1 1 474.432 5.398 50 0 JKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)s1 ZINC000018196191 556303195 /nfs/dbraw/zinc/30/31/95/556303195.db2.gz XSHKMWORTQIEFB-UHFFFAOYSA-N 1 1 462.018 5.883 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1ccccc1Br ZINC000018208920 556310090 /nfs/dbraw/zinc/31/00/90/556310090.db2.gz SJINHQARSAVVFA-UHFFFAOYSA-N 1 1 468.370 5.163 50 0 JKAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000013109954 556310361 /nfs/dbraw/zinc/31/03/61/556310361.db2.gz VJLXIPAITZCJCG-AREMUKBSSA-N 1 1 457.574 5.034 50 0 JKAAMO C[C@H]1Cc2cc(-c3cc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)no3)ccc2O1 ZINC000028287016 556327662 /nfs/dbraw/zinc/32/76/62/556327662.db2.gz ZRPNKQKWJHZSIX-NRFANRHFSA-N 1 1 479.580 5.212 50 0 JKAAMO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2c(C)c1 ZINC000028296684 556330936 /nfs/dbraw/zinc/33/09/36/556330936.db2.gz LOIUEPSTAMZJFQ-PMERELPUSA-N 1 1 486.659 7.011 50 0 JKAAMO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[N@H+]3CCc4ccccc4C3)c2c(C)c1 ZINC000028296685 556330991 /nfs/dbraw/zinc/33/09/91/556330991.db2.gz LOIUEPSTAMZJFQ-SSEXGKCCSA-N 1 1 486.659 7.011 50 0 JKAAMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000028656083 556339075 /nfs/dbraw/zinc/33/90/75/556339075.db2.gz TWZWZDQMGRXNGP-RPBOFIJWSA-N 1 1 497.973 5.198 50 0 JKAAMO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000028656092 556339094 /nfs/dbraw/zinc/33/90/94/556339094.db2.gz TWZWZDQMGRXNGP-JWQCQUIFSA-N 1 1 497.973 5.198 50 0 JKAAMO CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000019317908 556340920 /nfs/dbraw/zinc/34/09/20/556340920.db2.gz PMLZITNBSZBOJU-QFIPXVFZSA-N 1 1 498.743 5.437 50 0 JKAAMO CCc1cccc2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019367105 556346289 /nfs/dbraw/zinc/34/62/89/556346289.db2.gz CUMIXNZEDXVCLR-UHFFFAOYSA-N 1 1 451.614 5.306 50 0 JKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019371581 556347123 /nfs/dbraw/zinc/34/71/23/556347123.db2.gz METSUTGWYWMTMM-UHFFFAOYSA-N 1 1 483.559 5.653 50 0 JKAAMO O=C(Nc1ccc(I)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019760968 556366808 /nfs/dbraw/zinc/36/68/08/556366808.db2.gz RDTIYEAJOQOTOB-UHFFFAOYSA-N 1 1 468.338 5.102 50 0 JKAAMO Cc1cc(SCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)cc1Br ZINC000013137805 556368743 /nfs/dbraw/zinc/36/87/43/556368743.db2.gz DMRZEGCIIFDDIK-GOSISDBHSA-N 1 1 451.430 5.094 50 0 JKAAMO CC1(C)C[C@@]2(CCC[N@@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782239 556369638 /nfs/dbraw/zinc/36/96/38/556369638.db2.gz DJNATJHMUNFNFS-MUUNZHRXSA-N 1 1 461.650 5.366 50 0 biogenic JKAAMO CCOc1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793715 556373020 /nfs/dbraw/zinc/37/30/20/556373020.db2.gz DLIKXWCCLYWNRF-UHFFFAOYSA-N 1 1 467.613 5.142 50 0 JKAAMO Cc1cc(C)c2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793702 556373060 /nfs/dbraw/zinc/37/30/60/556373060.db2.gz CFDKWRBZSAKYKF-UHFFFAOYSA-N 1 1 451.614 5.361 50 0 JKAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c2=O ZINC000019793546 556373086 /nfs/dbraw/zinc/37/30/86/556373086.db2.gz FWKJEZCGVDULQC-UHFFFAOYSA-N 1 1 451.614 5.361 50 0 JKAAMO CCN(CC)c1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793497 556373113 /nfs/dbraw/zinc/37/31/13/556373113.db2.gz OOAMQVZHIXQSHD-UHFFFAOYSA-N 1 1 494.683 5.590 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1 ZINC000019808140 556379901 /nfs/dbraw/zinc/37/99/01/556379901.db2.gz SFXLZNCXAGNNJF-BDYUSTAISA-N 1 1 481.036 5.378 50 0 JKAAMO O=C([C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000019809830 556380585 /nfs/dbraw/zinc/38/05/85/556380585.db2.gz XUBQTHDXFFIAEC-WJOKGBTCSA-N 1 1 476.620 5.591 50 0 JKAAMO O=C([C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000019809830 556380589 /nfs/dbraw/zinc/38/05/89/556380589.db2.gz XUBQTHDXFFIAEC-WJOKGBTCSA-N 1 1 476.620 5.591 50 0 JKAAMO Cc1c(C(C)C)c2ccccc2n1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823386 556393797 /nfs/dbraw/zinc/39/37/97/556393797.db2.gz UIQMDSAJONBAFS-UHFFFAOYSA-N 1 1 465.641 6.007 50 0 JKAAMO O=C(COc1ccc(Br)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823542 556394134 /nfs/dbraw/zinc/39/41/34/556394134.db2.gz BTQWODFYPFXWIA-UHFFFAOYSA-N 1 1 499.836 5.415 50 0 JKAAMO c1coc(Cn2c3nc[nH+]c(NCCCn4ccnc4)c3c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008670778 562949289 /nfs/dbraw/zinc/94/92/89/562949289.db2.gz YQXZBFZHTWSYND-UHFFFAOYSA-N 1 1 474.568 6.105 50 0 JKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219498 563014726 /nfs/dbraw/zinc/01/47/26/563014726.db2.gz RGVNEPBKBZHMPN-DEOSSOPVSA-N 1 1 480.612 5.911 50 0 JKAAMO COc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000035212814 563119366 /nfs/dbraw/zinc/11/93/66/563119366.db2.gz RUAOVVIUGUOYHA-AATRIKPKSA-N 1 1 456.995 5.295 50 0 in-vitro JKAAMO CC(C)(C)c1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054284477 569589717 /nfs/dbraw/zinc/58/97/17/569589717.db2.gz BHSMZPYZHPZDIA-UHFFFAOYSA-N 1 1 460.025 5.669 50 0 JKAAMO O=c1c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2occ1-c1ccc(Cl)cc1 ZINC000054307030 569589779 /nfs/dbraw/zinc/58/97/79/569589779.db2.gz QAGAMOQNMMTZPN-UHFFFAOYSA-N 1 1 460.961 5.314 50 0 JKAAMO Cc1csc([C@H](C)[N@@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000055154741 569591038 /nfs/dbraw/zinc/59/10/38/569591038.db2.gz UXIHJPVTFCIFSU-QFIPXVFZSA-N 1 1 476.690 6.075 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)ccc2c1NC(=O)C1CC1 ZINC000055245184 569591404 /nfs/dbraw/zinc/59/14/04/569591404.db2.gz ZHJMQWSPSOLCGV-OAHLLOKOSA-N 1 1 489.601 5.015 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)ccc2c1NC(=O)C1CC1 ZINC000055245184 569591405 /nfs/dbraw/zinc/59/14/05/569591405.db2.gz ZHJMQWSPSOLCGV-OAHLLOKOSA-N 1 1 489.601 5.015 50 0 JKAAMO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000055526917 569591888 /nfs/dbraw/zinc/59/18/88/569591888.db2.gz LVENQFQBJFQIEH-UHFFFAOYSA-N 1 1 478.036 5.803 50 0 JKAAMO COc1cc2c(cc1C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)oc(C)c2-c1ccccc1 ZINC000055440419 569591903 /nfs/dbraw/zinc/59/19/03/569591903.db2.gz AQVNXWYRWYRTAV-UHFFFAOYSA-N 1 1 480.530 6.758 50 0 JKAAMO O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055529200 569592080 /nfs/dbraw/zinc/59/20/80/569592080.db2.gz VBONSAPGYRDEOF-UHFFFAOYSA-N 1 1 454.401 5.497 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Br)o1 ZINC000055529202 569592194 /nfs/dbraw/zinc/59/21/94/569592194.db2.gz SHPYIKZBJLAOPY-UHFFFAOYSA-N 1 1 474.786 5.270 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000057270798 569595256 /nfs/dbraw/zinc/59/52/56/569595256.db2.gz YJGPOCUMCBQRJT-SANMLTNESA-N 1 1 489.572 5.466 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057286415 569595709 /nfs/dbraw/zinc/59/57/09/569595709.db2.gz HRCFQAWJSSDARJ-AREMUKBSSA-N 1 1 457.574 5.040 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057286416 569595746 /nfs/dbraw/zinc/59/57/46/569595746.db2.gz HRCFQAWJSSDARJ-SANMLTNESA-N 1 1 457.574 5.040 50 0 JKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)s1)c1ccccc1 ZINC000057296890 569596185 /nfs/dbraw/zinc/59/61/85/569596185.db2.gz KKTZQARILTTWSD-XMMPIXPASA-N 1 1 463.628 5.967 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722167 569598762 /nfs/dbraw/zinc/59/87/62/569598762.db2.gz PUCRWIJBEXLCOR-XMMPIXPASA-N 1 1 490.032 5.308 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000008722167 569598763 /nfs/dbraw/zinc/59/87/63/569598763.db2.gz PUCRWIJBEXLCOR-XMMPIXPASA-N 1 1 490.032 5.308 50 0 JKAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008724495 569599780 /nfs/dbraw/zinc/59/97/80/569599780.db2.gz XSZIGYIBWZNHSH-KRWDZBQOSA-N 1 1 481.647 5.026 50 0 JKAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008724495 569599781 /nfs/dbraw/zinc/59/97/81/569599781.db2.gz XSZIGYIBWZNHSH-KRWDZBQOSA-N 1 1 481.647 5.026 50 0 JKAAMO O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccco2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000016010187 569602315 /nfs/dbraw/zinc/60/23/15/569602315.db2.gz KBFHZQXKOZZMLG-TVXPCSCSSA-N 1 1 486.527 5.261 50 0 JKAAMO O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccco2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000016010186 569602327 /nfs/dbraw/zinc/60/23/27/569602327.db2.gz KBFHZQXKOZZMLG-DZHULAFLSA-N 1 1 486.527 5.261 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983888 569607174 /nfs/dbraw/zinc/60/71/74/569607174.db2.gz MGBBEJYCTGSTAN-JJWXFRNXSA-N 1 1 467.997 5.096 50 0 JKAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984027 569607320 /nfs/dbraw/zinc/60/73/20/569607320.db2.gz PHUSKVXGMXQXPT-XQQQEEOESA-N 1 1 490.003 5.352 50 0 JKAAMO CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000032986666 569609028 /nfs/dbraw/zinc/60/90/28/569609028.db2.gz KVAWWFPQVBKHSM-UHFFFAOYSA-N 1 1 481.596 5.267 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1)Cc1ccccc1 ZINC000032996992 569610909 /nfs/dbraw/zinc/61/09/09/569610909.db2.gz VAWYWYINTGSCCQ-UHFFFAOYSA-N 1 1 479.628 5.838 50 0 JKAAMO CCOC(=O)c1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc(C)c1-c1ccc(C)cc1 ZINC000062556338 569611048 /nfs/dbraw/zinc/61/10/48/569611048.db2.gz FMEVYDJFJUXLBO-UHFFFAOYSA-N 1 1 498.648 6.526 50 0 JKAAMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1oc2ccccc2c1CSc1ncccn1 ZINC000062566649 569611197 /nfs/dbraw/zinc/61/11/97/569611197.db2.gz LNJAVDZJIUHLTK-QFIPXVFZSA-N 1 1 493.032 5.735 50 0 JKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CC[N@@H+](C)C[C@@H]4c4ccccc4)c3)ncn2)c1 ZINC000033010466 569616888 /nfs/dbraw/zinc/61/68/88/569616888.db2.gz UQECSVXOTDPOPE-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CC[N@H+](C)C[C@@H]4c4ccccc4)c3)ncn2)c1 ZINC000033010466 569616889 /nfs/dbraw/zinc/61/68/89/569616889.db2.gz UQECSVXOTDPOPE-HHHXNRCGSA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)N4CC[N@@H+](C)C[C@@H]4c4ccccc4)c3)n2)cc1 ZINC000033025254 569620519 /nfs/dbraw/zinc/62/05/19/569620519.db2.gz DQEGNCDTSLQGOG-AREMUKBSSA-N 1 1 463.585 5.325 50 0 JKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)N4CC[N@H+](C)C[C@@H]4c4ccccc4)c3)n2)cc1 ZINC000033025254 569620521 /nfs/dbraw/zinc/62/05/21/569620521.db2.gz DQEGNCDTSLQGOG-AREMUKBSSA-N 1 1 463.585 5.325 50 0 JKAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(F)(F)F)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746067 569625172 /nfs/dbraw/zinc/62/51/72/569625172.db2.gz RVDAHBAMANBEOQ-UHFFFAOYSA-N 1 1 492.615 5.753 50 0 JKAAMO C[NH+]1CCN(c2nn3c(nc(-c4ccc(Br)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746094 569625239 /nfs/dbraw/zinc/62/52/39/569625239.db2.gz 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WSKMESBHYOFRMV-WDYNHAJCSA-N 1 1 456.630 5.825 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1F ZINC000034681529 569643283 /nfs/dbraw/zinc/64/32/83/569643283.db2.gz QFQYXCPMQCDAAF-UHFFFAOYSA-N 1 1 482.559 5.588 50 0 JKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4F)CC3)nc2)cc1 ZINC000034681636 569643350 /nfs/dbraw/zinc/64/33/50/569643350.db2.gz FGJOLXNWCHGQST-UHFFFAOYSA-N 1 1 460.597 5.483 50 0 JKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)nc2)c1 ZINC000034682076 569643778 /nfs/dbraw/zinc/64/37/78/569643778.db2.gz CBUOJJYHMVOCNY-UHFFFAOYSA-N 1 1 483.538 5.683 50 0 JKAAMO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682666 569643967 /nfs/dbraw/zinc/64/39/67/569643967.db2.gz KTFFOIRGLPTELL-UHFFFAOYSA-N 1 1 490.928 6.809 50 0 JKAAMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683678 569644544 /nfs/dbraw/zinc/64/45/44/569644544.db2.gz FJISEAKCKKXRMZ-UHFFFAOYSA-N 1 1 458.986 5.339 50 0 JKAAMO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000034683783 569644636 /nfs/dbraw/zinc/64/46/36/569644636.db2.gz NYCFFSSIXUNRBW-UHFFFAOYSA-N 1 1 494.657 5.181 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3Cl)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683795 569644690 /nfs/dbraw/zinc/64/46/90/569644690.db2.gz YFDOARFFFOOOLD-UHFFFAOYSA-N 1 1 469.050 5.817 50 0 JKAAMO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)o1 ZINC000034685549 569644990 /nfs/dbraw/zinc/64/49/90/569644990.db2.gz BQOHWGIWMBCYEH-SSEXGKCCSA-N 1 1 496.582 6.038 50 0 JKAAMO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)o1 ZINC000034685549 569644991 /nfs/dbraw/zinc/64/49/91/569644991.db2.gz BQOHWGIWMBCYEH-SSEXGKCCSA-N 1 1 496.582 6.038 50 0 JKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685543 569645012 /nfs/dbraw/zinc/64/50/12/569645012.db2.gz DPIDBHZYWODXFL-SMSORMJASA-N 1 1 498.598 5.992 50 0 JKAAMO 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JIBYKYJUYNKGIE-UHFFFAOYSA-N 1 1 465.711 5.359 50 0 JKAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)CC(C)(C)C)cc1OC ZINC000034881112 569668848 /nfs/dbraw/zinc/66/88/48/569668848.db2.gz HUQIJBKNWKVPED-UHFFFAOYSA-N 1 1 460.416 6.408 50 0 JKAAMO COc1ccc2cc3cc(C(=O)NC[C@H]4CC[N@@H+](Cc5ccc(C)cc5)C4)sc3nc2c1Cl ZINC000065330827 569674862 /nfs/dbraw/zinc/67/48/62/569674862.db2.gz UECXQGWFDRYFEJ-GOSISDBHSA-N 1 1 480.033 5.672 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]3CCC1 ZINC000068705079 569691687 /nfs/dbraw/zinc/69/16/87/569691687.db2.gz JMSIAVVTCPGHIE-YTTGMZPUSA-N 1 1 468.644 7.635 50 0 JKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]3CCC1 ZINC000068705079 569691688 /nfs/dbraw/zinc/69/16/88/569691688.db2.gz JMSIAVVTCPGHIE-YTTGMZPUSA-N 1 1 468.644 7.635 50 0 JKAAMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000068755454 569692045 /nfs/dbraw/zinc/69/20/45/569692045.db2.gz HJMLBEYOJUXEME-AWEZNQCLSA-N 1 1 476.465 5.150 50 0 JKAAMO CCOC(=O)Nc1ccc2c(C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)cc(=O)oc2c1 ZINC000069441734 569693045 /nfs/dbraw/zinc/69/30/45/569693045.db2.gz FBOCPJPPNJDKJC-UHFFFAOYSA-N 1 1 460.452 5.545 50 0 JKAAMO Cc1[nH+]cn(CC(=O)N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)c2ccc(C)c(C)c2)c1C ZINC000069419764 569693058 /nfs/dbraw/zinc/69/30/58/569693058.db2.gz AVUZBHBLQVLPPN-ZCYQVOJMSA-N 1 1 474.649 5.201 50 0 JKAAMO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000069653696 569693637 /nfs/dbraw/zinc/69/36/37/569693637.db2.gz DLHFYUFBZLQSKR-KRWDZBQOSA-N 1 1 461.418 5.286 50 0 JKAAMO CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC)CC[N@H+](C)C3 ZINC000035426965 569693989 /nfs/dbraw/zinc/69/39/89/569693989.db2.gz CLKLVYZDQUVQID-FQEVSTJZSA-N 1 1 499.036 5.466 50 0 JKAAMO CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC)CC[N@@H+](C)C3 ZINC000035426965 569693990 /nfs/dbraw/zinc/69/39/90/569693990.db2.gz CLKLVYZDQUVQID-FQEVSTJZSA-N 1 1 499.036 5.466 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2)CC[N@H+](C)C4)cc1 ZINC000035426986 569694006 /nfs/dbraw/zinc/69/40/06/569694006.db2.gz RKUVSUFFHRCAIG-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2)CC[N@@H+](C)C4)cc1 ZINC000035426986 569694007 /nfs/dbraw/zinc/69/40/07/569694007.db2.gz RKUVSUFFHRCAIG-HHHXNRCGSA-N 1 1 498.652 5.981 50 0 JKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427022 569694041 /nfs/dbraw/zinc/69/40/41/569694041.db2.gz YJWJNQITMDQQRS-QFIPXVFZSA-N 1 1 455.027 5.205 50 0 JKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427022 569694042 /nfs/dbraw/zinc/69/40/42/569694042.db2.gz YJWJNQITMDQQRS-QFIPXVFZSA-N 1 1 455.027 5.205 50 0 JKAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427035 569694195 /nfs/dbraw/zinc/69/41/95/569694195.db2.gz VKZMMSCUHXKZOV-QHCPKHFHSA-N 1 1 469.054 5.451 50 0 JKAAMO CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427035 569694196 /nfs/dbraw/zinc/69/41/96/569694196.db2.gz VKZMMSCUHXKZOV-QHCPKHFHSA-N 1 1 469.054 5.451 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427090 569694207 /nfs/dbraw/zinc/69/42/07/569694207.db2.gz NHFLXKYUNFYRPB-MHZLTWQESA-N 1 1 498.652 5.981 50 0 JKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427090 569694208 /nfs/dbraw/zinc/69/42/08/569694208.db2.gz NHFLXKYUNFYRPB-MHZLTWQESA-N 1 1 498.652 5.981 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427444 569694398 /nfs/dbraw/zinc/69/43/98/569694398.db2.gz ULFDVCGUAGWVTI-AREMUKBSSA-N 1 1 486.616 6.193 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427431 569694448 /nfs/dbraw/zinc/69/44/48/569694448.db2.gz GJTKIVGHOUVHFF-HHHXNRCGSA-N 1 1 482.653 6.362 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000035529709 569700185 /nfs/dbraw/zinc/70/01/85/569700185.db2.gz IYTJUHDUNCFUMJ-CYFREDJKSA-N 1 1 462.615 6.004 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000035529709 569700187 /nfs/dbraw/zinc/70/01/87/569700187.db2.gz IYTJUHDUNCFUMJ-CYFREDJKSA-N 1 1 462.615 6.004 50 0 JKAAMO CCCCOc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)cc1 ZINC000072331235 569702844 /nfs/dbraw/zinc/70/28/44/569702844.db2.gz BXIGHIZMDLUWJG-UHFFFAOYSA-N 1 1 494.639 5.803 50 0 JKAAMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cc(Br)cc3cccnc32)cc1 ZINC000078724200 569706564 /nfs/dbraw/zinc/70/65/64/569706564.db2.gz RMZMJRDEUAZPRK-UHFFFAOYSA-N 1 1 490.401 5.685 50 0 JKAAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cc(Br)cc3cccnc32)cc1 ZINC000078724200 569706565 /nfs/dbraw/zinc/70/65/65/569706565.db2.gz RMZMJRDEUAZPRK-UHFFFAOYSA-N 1 1 490.401 5.685 50 0 JKAAMO CCCCN(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000035686815 569706913 /nfs/dbraw/zinc/70/69/13/569706913.db2.gz CPAGZNRNGXJNJN-UHFFFAOYSA-N 1 1 490.570 5.074 50 0 JKAAMO CCCCCCc1c(C)c2ccc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(C)c2oc1=O ZINC000079189929 569707139 /nfs/dbraw/zinc/70/71/39/569707139.db2.gz XEXCAPFIBIZXNG-WIOPSUGQSA-N 1 1 482.665 5.292 50 0 biogenic JKAAMO COc1cc(-c2[nH+]c3cc(C)ccn3c2NCc2ccccc2)ccc1OC(=O)C1CCCCC1 ZINC000035703080 569707352 /nfs/dbraw/zinc/70/73/52/569707352.db2.gz WUBFIFDIHBYRSR-UHFFFAOYSA-N 1 1 469.585 6.416 50 0 JKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843601 569714620 /nfs/dbraw/zinc/71/46/20/569714620.db2.gz DPCSDFSBNKVZOM-JOCHJYFZSA-N 1 1 465.432 5.465 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000085649765 569712333 /nfs/dbraw/zinc/71/23/33/569712333.db2.gz SIJJLOSIOKSQRQ-UHFFFAOYSA-N 1 1 483.591 5.668 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1)Cc1ccccc1 ZINC000085649470 569712388 /nfs/dbraw/zinc/71/23/88/569712388.db2.gz KAAJCZAUVIDVJY-UHFFFAOYSA-N 1 1 469.564 5.278 50 0 JKAAMO Cc1cc(Nc2nc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc3occc32)ccc1Br ZINC000085651287 569713002 /nfs/dbraw/zinc/71/30/02/569713002.db2.gz MVWOFBUVMFRLPP-INIZCTEOSA-N 1 1 471.399 5.247 50 0 JKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000035840689 569713705 /nfs/dbraw/zinc/71/37/05/569713705.db2.gz WMIJHQVOYGEUIE-MHZLTWQESA-N 1 1 466.666 5.853 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840582 569713769 /nfs/dbraw/zinc/71/37/69/569713769.db2.gz MLIJDYAYLKGRJX-MUUNZHRXSA-N 1 1 464.625 5.806 50 0 JKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840651 569713776 /nfs/dbraw/zinc/71/37/76/569713776.db2.gz MJNOAHBRHQYCIT-HKBQPEDESA-N 1 1 496.695 6.584 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035840878 569714028 /nfs/dbraw/zinc/71/40/28/569714028.db2.gz JMTYEKBMRYKCGH-RUZDIDTESA-N 1 1 474.567 5.762 50 0 JKAAMO CCC[C@H](O)C[N@@H+](CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842577 569714093 /nfs/dbraw/zinc/71/40/93/569714093.db2.gz ZTOWJZOICHNDLM-MHZLTWQESA-N 1 1 491.720 5.910 50 0 JKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccco1 ZINC000035842733 569714104 /nfs/dbraw/zinc/71/41/04/569714104.db2.gz KHUYGODSSLPISE-UHFFFAOYSA-N 1 1 499.699 6.788 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccco1 ZINC000035842733 569714105 /nfs/dbraw/zinc/71/41/05/569714105.db2.gz KHUYGODSSLPISE-UHFFFAOYSA-N 1 1 499.699 6.788 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843573 569714379 /nfs/dbraw/zinc/71/43/79/569714379.db2.gz YKBZMPREYIDZJW-JOCHJYFZSA-N 1 1 465.432 5.320 50 0 JKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000035843714 569714640 /nfs/dbraw/zinc/71/46/40/569714640.db2.gz KQTYQSFNGXYGMI-JOCHJYFZSA-N 1 1 471.881 6.379 50 0 JKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844693 569715180 /nfs/dbraw/zinc/71/51/80/569715180.db2.gz RDSXXVAVAHDYEK-GOSISDBHSA-N 1 1 450.495 6.880 50 0 JKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844694 569715194 /nfs/dbraw/zinc/71/51/94/569715194.db2.gz RDSXXVAVAHDYEK-SFHVURJKSA-N 1 1 450.495 6.880 50 0 JKAAMO Fc1ccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)cc1 ZINC000035844702 569715262 /nfs/dbraw/zinc/71/52/62/569715262.db2.gz AUJUJSJBJIJEEF-UHFFFAOYSA-N 1 1 458.543 7.277 50 0 JKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844758 569715363 /nfs/dbraw/zinc/71/53/63/569715363.db2.gz IEBWEDZNNQTBFY-UHFFFAOYSA-N 1 1 476.617 5.248 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000035844824 569715367 /nfs/dbraw/zinc/71/53/67/569715367.db2.gz IFVRIVISEKTHIB-UHFFFAOYSA-N 1 1 470.535 5.843 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000035844824 569715368 /nfs/dbraw/zinc/71/53/68/569715368.db2.gz IFVRIVISEKTHIB-UHFFFAOYSA-N 1 1 470.535 5.843 50 0 JKAAMO CCC[C@@H](C(=O)OCC)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000035844777 569715452 /nfs/dbraw/zinc/71/54/52/569715452.db2.gz DMMCEGCTDQSHIG-MHZLTWQESA-N 1 1 482.665 5.526 50 0 JKAAMO CCC[C@@H](C(=O)OCC)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000035844777 569715453 /nfs/dbraw/zinc/71/54/53/569715453.db2.gz DMMCEGCTDQSHIG-MHZLTWQESA-N 1 1 482.665 5.526 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2cc(C)ccc2C)C[C@@H]2CCCO2)o1 ZINC000035844908 569715594 /nfs/dbraw/zinc/71/55/94/569715594.db2.gz MICSDAFWNVUSNK-NDEPHWFRSA-N 1 1 474.645 5.457 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2cc(C)ccc2C)C[C@@H]2CCCO2)o1 ZINC000035844908 569715595 /nfs/dbraw/zinc/71/55/95/569715595.db2.gz MICSDAFWNVUSNK-NDEPHWFRSA-N 1 1 474.645 5.457 50 0 JKAAMO CCCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035845003 569715792 /nfs/dbraw/zinc/71/57/92/569715792.db2.gz WBGYXQCVQNZLEC-UHFFFAOYSA-N 1 1 468.588 6.130 50 0 JKAAMO CCCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035845003 569715793 /nfs/dbraw/zinc/71/57/93/569715793.db2.gz WBGYXQCVQNZLEC-UHFFFAOYSA-N 1 1 468.588 6.130 50 0 JKAAMO CCCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844993 569715803 /nfs/dbraw/zinc/71/58/03/569715803.db2.gz ZXZXVYYNQVENRT-UHFFFAOYSA-N 1 1 450.598 5.991 50 0 JKAAMO CCCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844993 569715804 /nfs/dbraw/zinc/71/58/04/569715804.db2.gz ZXZXVYYNQVENRT-UHFFFAOYSA-N 1 1 450.598 5.991 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2cccc(Cl)c2)CC2CC2)o1 ZINC000035845008 569715818 /nfs/dbraw/zinc/71/58/18/569715818.db2.gz NERPDHFTPDAWPG-UHFFFAOYSA-N 1 1 451.010 5.725 50 0 JKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(C)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851491 569716396 /nfs/dbraw/zinc/71/63/96/569716396.db2.gz YDPANSBZLXGNPK-KAEZHMCDSA-N 1 1 489.688 7.353 50 0 JKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000035872119 569719205 /nfs/dbraw/zinc/71/92/05/569719205.db2.gz AMLCKLJSAYHJNW-NDEPHWFRSA-N 1 1 465.641 5.836 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1ccc(F)cc1 ZINC000035887273 569720888 /nfs/dbraw/zinc/72/08/88/569720888.db2.gz IZOVKXGUUFBHPK-UHFFFAOYSA-N 1 1 486.566 5.371 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1ccc(F)cc1 ZINC000035887273 569720890 /nfs/dbraw/zinc/72/08/90/569720890.db2.gz IZOVKXGUUFBHPK-UHFFFAOYSA-N 1 1 486.566 5.371 50 0 JKAAMO O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035888556 569721308 /nfs/dbraw/zinc/72/13/08/569721308.db2.gz IBZOAOYAYLUYLR-RUZDIDTESA-N 1 1 491.557 6.053 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888739 569721421 /nfs/dbraw/zinc/72/14/21/569721421.db2.gz WUIGXMGIOVTSLX-CPJSRVTESA-N 1 1 466.069 6.286 50 0 JKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cccc(OC)c3)c[nH]c21 ZINC000035889377 569721536 /nfs/dbraw/zinc/72/15/36/569721536.db2.gz STMRDAIUTZRKPM-LVXARBLLSA-N 1 1 461.650 5.642 50 0 JKAAMO CC[C@H](C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035892786 569722525 /nfs/dbraw/zinc/72/25/25/569722525.db2.gz OUJYOXDWLHTGKX-MSOLQXFVSA-N 1 1 452.643 5.791 50 0 JKAAMO CC(C)Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@H](C)C3 ZINC000035892825 569722549 /nfs/dbraw/zinc/72/25/49/569722549.db2.gz WCTBWTOGXGOKJF-SFHVURJKSA-N 1 1 452.643 5.476 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908071 569723920 /nfs/dbraw/zinc/72/39/20/569723920.db2.gz PCTUIEORURJKFZ-FYYLOGMGSA-N 1 1 461.503 5.089 50 0 JKAAMO CC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2Cc1ccccc1 ZINC000035908486 569724132 /nfs/dbraw/zinc/72/41/32/569724132.db2.gz ZAADBDYQTLHLRV-XMMPIXPASA-N 1 1 481.640 5.825 50 0 JKAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035924694 569728148 /nfs/dbraw/zinc/72/81/48/569728148.db2.gz KKTPYFJCASPCIA-UHFFFAOYSA-N 1 1 472.612 5.318 50 0 JKAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000035924693 569728155 /nfs/dbraw/zinc/72/81/55/569728155.db2.gz CQGFYRKJGWQKRM-UHFFFAOYSA-N 1 1 454.622 5.179 50 0 JKAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035924692 569728175 /nfs/dbraw/zinc/72/81/75/569728175.db2.gz RNYWVUKVTZYFFF-UHFFFAOYSA-N 1 1 484.648 5.187 50 0 JKAAMO Cc1cccc(C[N@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925678 569729037 /nfs/dbraw/zinc/72/90/37/569729037.db2.gz KHLWYSZRKUTVDF-UHFFFAOYSA-N 1 1 488.639 5.427 50 0 JKAAMO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035926122 569729359 /nfs/dbraw/zinc/72/93/59/569729359.db2.gz GHFHULZGHFSAQP-JOCHJYFZSA-N 1 1 484.648 5.440 50 0 JKAAMO CC[C@H](C(=O)N(Cc1nn(-c2ccc(C)cc2)c2c1C[N@H+](CC)CC2)C1CC1)c1ccccc1 ZINC000035926190 569729532 /nfs/dbraw/zinc/72/95/32/569729532.db2.gz JVKLAVPVMTXGSB-VWLOTQADSA-N 1 1 456.634 5.244 50 0 JKAAMO CC[C@H](C(=O)N(Cc1nn(-c2ccc(C)cc2)c2c1C[N@@H+](CC)CC2)C1CC1)c1ccccc1 ZINC000035926190 569729533 /nfs/dbraw/zinc/72/95/33/569729533.db2.gz JVKLAVPVMTXGSB-VWLOTQADSA-N 1 1 456.634 5.244 50 0 JKAAMO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035926134 569729541 /nfs/dbraw/zinc/72/95/41/569729541.db2.gz WDGUONBBRQTNPY-HSZRJFAPSA-N 1 1 468.649 5.740 50 0 JKAAMO CC[C@@H](C(=O)N(Cc1nn(-c2ccc(C)cc2)c2c1C[N@H+](CC)CC2)C1CC1)c1ccccc1 ZINC000035926191 569729544 /nfs/dbraw/zinc/72/95/44/569729544.db2.gz JVKLAVPVMTXGSB-RUZDIDTESA-N 1 1 456.634 5.244 50 0 JKAAMO CC[C@@H](C(=O)N(Cc1nn(-c2ccc(C)cc2)c2c1C[N@@H+](CC)CC2)C1CC1)c1ccccc1 ZINC000035926191 569729545 /nfs/dbraw/zinc/72/95/45/569729545.db2.gz JVKLAVPVMTXGSB-RUZDIDTESA-N 1 1 456.634 5.244 50 0 JKAAMO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(OC)c3)CC2)n1 ZINC000035926133 569729547 /nfs/dbraw/zinc/72/95/47/569729547.db2.gz GPXOWNDZGNIJPO-QFIPXVFZSA-N 1 1 484.648 5.440 50 0 JKAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000095945631 569730945 /nfs/dbraw/zinc/73/09/45/569730945.db2.gz FUNYMPZJTAWYFR-UHFFFAOYSA-N 1 1 455.989 6.647 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC[C@@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000035939825 569731567 /nfs/dbraw/zinc/73/15/67/569731567.db2.gz RKZLOOJIGRCSPB-LNBJVWSJSA-N 1 1 479.592 6.320 50 0 JKAAMO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280551 569739999 /nfs/dbraw/zinc/73/99/99/569739999.db2.gz LCYBVZSLHUCBTH-WJOKGBTCSA-N 1 1 480.583 5.669 50 0 JKAAMO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280550 569740057 /nfs/dbraw/zinc/74/00/57/569740057.db2.gz LCYBVZSLHUCBTH-HKBQPEDESA-N 1 1 480.583 5.669 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](Cc1cccc3ccccc31)[N@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000096562471 569741181 /nfs/dbraw/zinc/74/11/81/569741181.db2.gz OJMSHHWMLAPUAL-HHHXNRCGSA-N 1 1 492.446 7.506 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](Cc1cccc3ccccc31)[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000096562471 569741182 /nfs/dbraw/zinc/74/11/82/569741182.db2.gz OJMSHHWMLAPUAL-HHHXNRCGSA-N 1 1 492.446 7.506 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991217 569744321 /nfs/dbraw/zinc/74/43/21/569744321.db2.gz CAGLQOSFAKNBEZ-JOCHJYFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991217 569744322 /nfs/dbraw/zinc/74/43/22/569744322.db2.gz CAGLQOSFAKNBEZ-JOCHJYFZSA-N 1 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JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042952 569754346 /nfs/dbraw/zinc/75/43/46/569754346.db2.gz XEIRPBGTOLVZBH-XHCCPWGMSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042952 569754348 /nfs/dbraw/zinc/75/43/48/569754348.db2.gz XEIRPBGTOLVZBH-XHCCPWGMSA-N 1 1 479.020 5.584 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(Cl)cc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048271 569755802 /nfs/dbraw/zinc/75/58/02/569755802.db2.gz HXZJEEQFWHGIGM-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(Cl)cc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048271 569755804 /nfs/dbraw/zinc/75/58/04/569755804.db2.gz HXZJEEQFWHGIGM-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048293 569755826 /nfs/dbraw/zinc/75/58/26/569755826.db2.gz RJOICKOGJUHHBR-LITSAYRRSA-N 1 1 488.628 5.329 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048293 569755827 /nfs/dbraw/zinc/75/58/27/569755827.db2.gz RJOICKOGJUHHBR-LITSAYRRSA-N 1 1 488.628 5.329 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048283 569755948 /nfs/dbraw/zinc/75/59/48/569755948.db2.gz GNTJAIQQQAKNSY-LSYYVWMOSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@H](NC(=O)c1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048283 569755949 /nfs/dbraw/zinc/75/59/49/569755949.db2.gz GNTJAIQQQAKNSY-LSYYVWMOSA-N 1 1 474.601 5.020 50 0 JKAAMO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036202238 569757017 /nfs/dbraw/zinc/75/70/17/569757017.db2.gz OSTWNPSOFPXDDR-UHFFFAOYSA-N 1 1 495.541 6.020 50 0 JKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036202238 569757018 /nfs/dbraw/zinc/75/70/18/569757018.db2.gz OSTWNPSOFPXDDR-UHFFFAOYSA-N 1 1 495.541 6.020 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COc1ccccc1C ZINC000036246075 569757729 /nfs/dbraw/zinc/75/77/29/569757729.db2.gz ABXFPLRSAYUOOH-HSZRJFAPSA-N 1 1 451.611 5.148 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036301660 569759100 /nfs/dbraw/zinc/75/91/00/569759100.db2.gz JYYDLGVJGKCFPH-NRFANRHFSA-N 1 1 458.002 5.618 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036301797 569759225 /nfs/dbraw/zinc/75/92/25/569759225.db2.gz JBACNOYBAUPXGG-HSZRJFAPSA-N 1 1 484.040 5.767 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000036301797 569759226 /nfs/dbraw/zinc/75/92/26/569759226.db2.gz JBACNOYBAUPXGG-HSZRJFAPSA-N 1 1 484.040 5.767 50 0 JKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036301817 569759246 /nfs/dbraw/zinc/75/92/46/569759246.db2.gz VFQZWBIESLGXNX-VWLOTQADSA-N 1 1 498.067 5.872 50 0 JKAAMO 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CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316323 569762502 /nfs/dbraw/zinc/76/25/02/569762502.db2.gz JVXWXJYJQFTKSA-XMMPIXPASA-N 1 1 463.622 5.225 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316291 569762547 /nfs/dbraw/zinc/76/25/47/569762547.db2.gz JWLNMDNBMHROPI-JTHBVZDNSA-N 1 1 451.611 5.225 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)CC1CC1 ZINC000036316320 569762588 /nfs/dbraw/zinc/76/25/88/569762588.db2.gz YVJIHZPNUGUKFT-SANMLTNESA-N 1 1 497.639 5.879 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036316268 569762637 /nfs/dbraw/zinc/76/26/37/569762637.db2.gz UUQRSKVVSVDMID-QHCPKHFHSA-N 1 1 465.638 5.613 50 0 JKAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316272 569762678 /nfs/dbraw/zinc/76/26/78/569762678.db2.gz COKFWXLODKKFKB-HSZRJFAPSA-N 1 1 479.621 5.142 50 0 JKAAMO 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COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036341712 569764711 /nfs/dbraw/zinc/76/47/11/569764711.db2.gz RRMFDZGQEKLWDI-VWLOTQADSA-N 1 1 477.992 5.167 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036341982 569765002 /nfs/dbraw/zinc/76/50/02/569765002.db2.gz DHSMAQLGFKJTPZ-QPPBQGQZSA-N 1 1 481.637 5.368 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036341984 569765007 /nfs/dbraw/zinc/76/50/07/569765007.db2.gz PNSFRKJRAJXYBE-RDGATRHJSA-N 1 1 495.664 5.616 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036342060 569765265 /nfs/dbraw/zinc/76/52/65/569765265.db2.gz BGJFZLNKUAQODU-QHCPKHFHSA-N 1 1 469.601 5.499 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342081 569765274 /nfs/dbraw/zinc/76/52/74/569765274.db2.gz LEPSVFLGUWXHOD-CVDCTZTESA-N 1 1 455.574 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036342086 569765336 /nfs/dbraw/zinc/76/53/36/569765336.db2.gz ZPIWBANYUURMPD-QHCPKHFHSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036342086 569765338 /nfs/dbraw/zinc/76/53/38/569765338.db2.gz ZPIWBANYUURMPD-QHCPKHFHSA-N 1 1 467.585 5.253 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036342114 569765467 /nfs/dbraw/zinc/76/54/67/569765467.db2.gz HHYXBQPVSFEBMX-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342133 569765509 /nfs/dbraw/zinc/76/55/09/569765509.db2.gz AFTSCIRUNNUUSC-HHHXNRCGSA-N 1 1 469.629 6.526 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342133 569765510 /nfs/dbraw/zinc/76/55/10/569765510.db2.gz AFTSCIRUNNUUSC-HHHXNRCGSA-N 1 1 469.629 6.526 50 0 JKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036343760 569766543 /nfs/dbraw/zinc/76/65/43/569766543.db2.gz TVVZVAPHZJRERA-NDEPHWFRSA-N 1 1 487.047 5.144 50 0 JKAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344243 569766928 /nfs/dbraw/zinc/76/69/28/569766928.db2.gz MPDBDMYESNOPIO-VWLOTQADSA-N 1 1 477.992 5.167 50 0 JKAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344243 569766929 /nfs/dbraw/zinc/76/69/29/569766929.db2.gz MPDBDMYESNOPIO-VWLOTQADSA-N 1 1 477.992 5.167 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344624 569767303 /nfs/dbraw/zinc/76/73/03/569767303.db2.gz OUBDSXIYWLMJPE-PMERELPUSA-N 1 1 480.656 5.107 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345462 569768073 /nfs/dbraw/zinc/76/80/73/569768073.db2.gz JVWXBSIKBHULIE-GDLZYMKVSA-N 1 1 469.604 5.767 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036345805 569768201 /nfs/dbraw/zinc/76/82/01/569768201.db2.gz UYZIJLMETHNOMT-DEOSSOPVSA-N 1 1 483.628 5.610 50 0 JKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345795 569768250 /nfs/dbraw/zinc/76/82/50/569768250.db2.gz HCPYUHIMJTZPNQ-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345795 569768251 /nfs/dbraw/zinc/76/82/51/569768251.db2.gz HCPYUHIMJTZPNQ-MHZLTWQESA-N 1 1 471.601 5.130 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036345862 569768347 /nfs/dbraw/zinc/76/83/47/569768347.db2.gz SYWSBQZXBCJZRJ-RUZDIDTESA-N 1 1 465.638 5.525 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345824 569768384 /nfs/dbraw/zinc/76/83/84/569768384.db2.gz KVAVRNVXBLSTPT-DHLKQENFSA-N 1 1 479.665 6.058 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345833 569768413 /nfs/dbraw/zinc/76/84/13/569768413.db2.gz OIPASKBPZIVLGL-MUUNZHRXSA-N 1 1 483.656 6.343 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345906 569768423 /nfs/dbraw/zinc/76/84/23/569768423.db2.gz CQXFFHHIKJJBEZ-VWLOTQADSA-N 1 1 465.638 5.671 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036345832 569768486 /nfs/dbraw/zinc/76/84/86/569768486.db2.gz PUYPNAZMNOXLPM-RUZDIDTESA-N 1 1 465.638 5.525 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036345851 569768497 /nfs/dbraw/zinc/76/84/97/569768497.db2.gz BVOPHELQAZEIRI-NDEPHWFRSA-N 1 1 455.602 6.225 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345959 569768528 /nfs/dbraw/zinc/76/85/28/569768528.db2.gz SPWGLHCQCYOKEC-XMMPIXPASA-N 1 1 483.628 5.748 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036345918 569768578 /nfs/dbraw/zinc/76/85/78/569768578.db2.gz BIBCLXPTOMLJFG-MHZLTWQESA-N 1 1 469.629 6.097 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345958 569768584 /nfs/dbraw/zinc/76/85/84/569768584.db2.gz DYFKMMUOZPFYJY-HSZRJFAPSA-N 1 1 453.602 6.121 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036345912 569768590 /nfs/dbraw/zinc/76/85/90/569768590.db2.gz NJYNMSBGHMGZIV-MUUNZHRXSA-N 1 1 499.655 6.071 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036345917 569768599 /nfs/dbraw/zinc/76/85/99/569768599.db2.gz BIBCLXPTOMLJFG-HHHXNRCGSA-N 1 1 469.629 6.097 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345957 569768620 /nfs/dbraw/zinc/76/86/20/569768620.db2.gz DYFKMMUOZPFYJY-QHCPKHFHSA-N 1 1 453.602 6.121 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036345950 569768623 /nfs/dbraw/zinc/76/86/23/569768623.db2.gz RYSVLAXRSDLODX-RUZDIDTESA-N 1 1 477.649 5.669 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346078 569768720 /nfs/dbraw/zinc/76/87/20/569768720.db2.gz DVASJIWXUKAWFB-DEOSSOPVSA-N 1 1 481.612 5.502 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346025 569768778 /nfs/dbraw/zinc/76/87/78/569768778.db2.gz RALNNVAXEYCLHR-QHCPKHFHSA-N 1 1 467.585 5.110 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COCC(C)C)C1CC1 ZINC000036346025 569768779 /nfs/dbraw/zinc/76/87/79/569768779.db2.gz RALNNVAXEYCLHR-QHCPKHFHSA-N 1 1 467.585 5.110 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346045 569768868 /nfs/dbraw/zinc/76/88/68/569768868.db2.gz NLCPGBLUOJOKPX-HSZRJFAPSA-N 1 1 469.601 5.502 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346135 569768971 /nfs/dbraw/zinc/76/89/71/569768971.db2.gz DLZMLUABAQLWLJ-XMMPIXPASA-N 1 1 451.611 5.137 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346118 569769101 /nfs/dbraw/zinc/76/91/01/569769101.db2.gz CFLAHKBTVQYGAH-NDEPHWFRSA-N 1 1 483.656 6.343 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346229 569769170 /nfs/dbraw/zinc/76/91/70/569769170.db2.gz VFXIQKQKXDLWEV-DEOSSOPVSA-N 1 1 483.628 5.746 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346230 569769316 /nfs/dbraw/zinc/76/93/16/569769316.db2.gz VFXIQKQKXDLWEV-XMMPIXPASA-N 1 1 483.628 5.746 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036346250 569769371 /nfs/dbraw/zinc/76/93/71/569769371.db2.gz CQKVQWKCJAYHCT-SANMLTNESA-N 1 1 489.591 5.164 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036346250 569769372 /nfs/dbraw/zinc/76/93/72/569769372.db2.gz CQKVQWKCJAYHCT-SANMLTNESA-N 1 1 489.591 5.164 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346433 569769767 /nfs/dbraw/zinc/76/97/67/569769767.db2.gz JDKXREOCSLHTTF-DEOSSOPVSA-N 1 1 481.612 5.500 50 0 JKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346415 569769773 /nfs/dbraw/zinc/76/97/73/569769773.db2.gz AKBWHOUEHHGDIT-DEOSSOPVSA-N 1 1 451.586 5.875 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346420 569769800 /nfs/dbraw/zinc/76/98/00/569769800.db2.gz WXJHIVPEWPVKGJ-XMMPIXPASA-N 1 1 467.585 5.110 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346501 569769859 /nfs/dbraw/zinc/76/98/59/569769859.db2.gz QKNJISXGQMSZFN-DEOSSOPVSA-N 1 1 479.665 6.560 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346480 569769895 /nfs/dbraw/zinc/76/98/95/569769895.db2.gz VYXDSJNCVPVWME-QHCPKHFHSA-N 1 1 481.637 5.404 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346515 569769919 /nfs/dbraw/zinc/76/99/19/569769919.db2.gz XIIGZKLOGVPJLS-DEOSSOPVSA-N 1 1 479.665 5.922 50 0 JKAAMO COC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346478 569769931 /nfs/dbraw/zinc/76/99/31/569769931.db2.gz MMBQQZLJSBIPIE-JOCHJYFZSA-N 1 1 467.610 5.014 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346516 569769951 /nfs/dbraw/zinc/76/99/51/569769951.db2.gz XIIGZKLOGVPJLS-XMMPIXPASA-N 1 1 479.665 5.922 50 0 JKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)CC ZINC000036346493 569769972 /nfs/dbraw/zinc/76/99/72/569769972.db2.gz HWCJWANYMFSTNX-JOCHJYFZSA-N 1 1 451.611 5.780 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346505 569770004 /nfs/dbraw/zinc/77/00/04/569770004.db2.gz YLMCPTUNPNTTKO-XMMPIXPASA-N 1 1 493.648 5.406 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346536 569770056 /nfs/dbraw/zinc/77/00/56/569770056.db2.gz YIVFIKWMJGUMEG-SANMLTNESA-N 1 1 491.676 5.781 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036346597 569770079 /nfs/dbraw/zinc/77/00/79/569770079.db2.gz NYALNCDPWDHVKX-RUZDIDTESA-N 1 1 491.582 6.067 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346582 569770088 /nfs/dbraw/zinc/77/00/88/569770088.db2.gz IGQZITKTLQFPEA-HSZRJFAPSA-N 1 1 487.591 5.495 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346649 569770318 /nfs/dbraw/zinc/77/03/18/569770318.db2.gz DQSMENXEBDOPPS-XMMPIXPASA-N 1 1 487.591 5.639 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346716 569770531 /nfs/dbraw/zinc/77/05/31/569770531.db2.gz VOLHTWLHEXVGSZ-HSZRJFAPSA-N 1 1 457.565 6.013 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346720 569770534 /nfs/dbraw/zinc/77/05/34/569770534.db2.gz JLJDYGGNNOXVNW-HSZRJFAPSA-N 1 1 471.548 5.002 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346720 569770535 /nfs/dbraw/zinc/77/05/35/569770535.db2.gz JLJDYGGNNOXVNW-HSZRJFAPSA-N 1 1 471.548 5.002 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346718 569770592 /nfs/dbraw/zinc/77/05/92/569770592.db2.gz ZCRPYWWPKADFLK-DEOSSOPVSA-N 1 1 487.591 5.639 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346673 569770647 /nfs/dbraw/zinc/77/06/47/569770647.db2.gz CZZONSRXLHMAHL-QHCPKHFHSA-N 1 1 457.565 6.014 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346721 569770662 /nfs/dbraw/zinc/77/06/62/569770662.db2.gz KIUWBHZQVJGARZ-AREMUKBSSA-N 1 1 489.566 5.819 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346811 569770876 /nfs/dbraw/zinc/77/08/76/569770876.db2.gz QZNCKAWIYKWUHU-VWNXMTODSA-N 1 1 465.638 5.574 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccccc3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346797 569770882 /nfs/dbraw/zinc/77/08/82/569770882.db2.gz RUSYDLAXUJESFB-MHZLTWQESA-N 1 1 499.655 5.976 50 0 JKAAMO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346776 569770891 /nfs/dbraw/zinc/77/08/91/569770891.db2.gz LHVWJGULSAETLU-RUZDIDTESA-N 1 1 479.665 5.679 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346813 569770903 /nfs/dbraw/zinc/77/09/03/569770903.db2.gz WTKFVCJZKFJSMO-NOZRDPDXSA-N 1 1 479.665 5.822 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346743 569770909 /nfs/dbraw/zinc/77/09/09/569770909.db2.gz GQEUNZITYBRZAS-XMMPIXPASA-N 1 1 485.575 5.393 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346743 569770910 /nfs/dbraw/zinc/77/09/10/569770910.db2.gz GQEUNZITYBRZAS-XMMPIXPASA-N 1 1 485.575 5.393 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036346745 569770912 /nfs/dbraw/zinc/77/09/12/569770912.db2.gz CKXMLGAWMWUXSL-QHCPKHFHSA-N 1 1 473.564 5.249 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346826 569771001 /nfs/dbraw/zinc/77/10/01/569771001.db2.gz ZQRJAOLFBFJXNK-GMAHTHKFSA-N 1 1 451.611 5.186 50 0 JKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000036347895 569771023 /nfs/dbraw/zinc/77/10/23/569771023.db2.gz GFIAOZWMIFCKDO-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000036347895 569771024 /nfs/dbraw/zinc/77/10/24/569771024.db2.gz GFIAOZWMIFCKDO-LJAQVGFWSA-N 1 1 454.570 6.293 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346825 569771102 /nfs/dbraw/zinc/77/11/02/569771102.db2.gz ZQRJAOLFBFJXNK-GGAORHGYSA-N 1 1 451.611 5.186 50 0 JKAAMO Cn1ccnc1[C@H](NC(=O)CCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1 ZINC000036397179 569775143 /nfs/dbraw/zinc/77/51/43/569775143.db2.gz WEPMXIABQHTPTA-HSZRJFAPSA-N 1 1 468.388 5.373 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(C(F)(F)F)c2)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405665 569775468 /nfs/dbraw/zinc/77/54/68/569775468.db2.gz YIYHGBBJAPVMAK-VBURHUQHSA-N 1 1 490.591 7.296 50 0 JKAAMO O=C(CCN1CC[N@H+]2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000100925674 569776090 /nfs/dbraw/zinc/77/60/90/569776090.db2.gz KAVQQYSUMOZNRQ-SFHVURJKSA-N 1 1 461.553 5.395 50 0 biogenic JKAAMO O=C(C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)Nc1ccccc1C(F)(F)F ZINC000036708935 569780247 /nfs/dbraw/zinc/78/02/47/569780247.db2.gz OZZDVOJPUUWTHB-UHFFFAOYSA-N 1 1 484.444 5.425 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276297 569782144 /nfs/dbraw/zinc/78/21/44/569782144.db2.gz NWOCSYSKBPMBNH-FIBWVYCGSA-N 1 1 488.647 6.157 50 0 JKAAMO CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)n2c3cc(C)c(C)cc3nc2Cc2ccc(F)cc2)CC1 ZINC000037397178 569786645 /nfs/dbraw/zinc/78/66/45/569786645.db2.gz JVHGUSNZKAXVHO-LJAQVGFWSA-N 1 1 484.619 5.137 50 0 JKAAMO COc1cc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000037522845 569792935 /nfs/dbraw/zinc/79/29/35/569792935.db2.gz QOAJWOHRXQCGAB-GDLZYMKVSA-N 1 1 484.596 6.302 50 0 JKAAMO COc1cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000037522845 569792936 /nfs/dbraw/zinc/79/29/36/569792936.db2.gz QOAJWOHRXQCGAB-GDLZYMKVSA-N 1 1 484.596 6.302 50 0 JKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524152 569793016 /nfs/dbraw/zinc/79/30/16/569793016.db2.gz YDYMUUXDTQCDMN-LOYHVIPDSA-N 1 1 454.658 6.317 50 0 JKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524374 569793142 /nfs/dbraw/zinc/79/31/42/569793142.db2.gz FNPXVOPFENBXQK-RCZVLFRGSA-N 1 1 478.574 6.201 50 0 JKAAMO O=C(c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000037525743 569793583 /nfs/dbraw/zinc/79/35/83/569793583.db2.gz GOYLRUIIQBTWOW-UHFFFAOYSA-N 1 1 483.559 5.728 50 0 JKAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037570546 569795764 /nfs/dbraw/zinc/79/57/64/569795764.db2.gz BPNGRHXJGSYRMZ-UHFFFAOYSA-N 1 1 468.594 5.003 50 0 JKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037560571 569795808 /nfs/dbraw/zinc/79/58/08/569795808.db2.gz RLSVOROYLGVZIU-UHFFFAOYSA-N 1 1 458.986 5.339 50 0 JKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037570697 569795939 /nfs/dbraw/zinc/79/59/39/569795939.db2.gz AJCAJBIAFPCJLL-UHFFFAOYSA-N 1 1 456.558 5.133 50 0 JKAAMO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580760 569796651 /nfs/dbraw/zinc/79/66/51/569796651.db2.gz BYENVZPAYNEOCK-UHFFFAOYSA-N 1 1 454.948 6.238 50 0 JKAAMO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580751 569796677 /nfs/dbraw/zinc/79/66/77/569796677.db2.gz VYYWUULKXSOBKA-UHFFFAOYSA-N 1 1 454.492 5.424 50 0 JKAAMO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037580739 569796688 /nfs/dbraw/zinc/79/66/88/569796688.db2.gz YDTQLTHKYYURME-UHFFFAOYSA-N 1 1 470.947 5.938 50 0 JKAAMO CCc1cc([C@H](c2ccc(OC)cc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545942 569802440 /nfs/dbraw/zinc/80/24/40/569802440.db2.gz DELARWMEPQWBFQ-QHCPKHFHSA-N 1 1 454.592 5.748 50 0 JKAAMO CCc1cc([C@H](c2cc(OC)ccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545948 569802552 /nfs/dbraw/zinc/80/25/52/569802552.db2.gz LNSSSFJAZGDJDR-QHCPKHFHSA-N 1 1 454.592 5.748 50 0 JKAAMO Cc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546257 569802765 /nfs/dbraw/zinc/80/27/65/569802765.db2.gz LTOKCGZCMYVRLW-OAQYLSRUSA-N 1 1 473.436 6.486 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccs2)c2cc(CC)sc2NC(=O)c2ccco2)CC1 ZINC000038546388 569803034 /nfs/dbraw/zinc/80/30/34/569803034.db2.gz FPBXKOYCHLQVKJ-OAQYLSRUSA-N 1 1 472.632 5.582 50 0 JKAAMO CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546467 569803112 /nfs/dbraw/zinc/80/31/12/569803112.db2.gz GBIVALLMNNQQIN-DEOSSOPVSA-N 1 1 451.636 5.616 50 0 JKAAMO CCc1cc([C@@H](c2ccc(SC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546462 569803142 /nfs/dbraw/zinc/80/31/42/569803142.db2.gz LVVVLVLPZBYGON-JOCHJYFZSA-N 1 1 455.649 5.215 50 0 JKAAMO CCOc1ccc([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546512 569803157 /nfs/dbraw/zinc/80/31/57/569803157.db2.gz CNMSEZKWLDYCDT-RUZDIDTESA-N 1 1 479.646 5.208 50 0 JKAAMO CC(C)c1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546515 569803204 /nfs/dbraw/zinc/80/32/04/569803204.db2.gz XWCGCZMIOHKZHN-SANMLTNESA-N 1 1 477.674 5.932 50 0 JKAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(Cl)cc2)CC1 ZINC000038546493 569803274 /nfs/dbraw/zinc/80/32/74/569803274.db2.gz AVPAHDAYXCXFGD-HSZRJFAPSA-N 1 1 470.038 5.462 50 0 JKAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2Cl)CC1 ZINC000038546496 569803278 /nfs/dbraw/zinc/80/32/78/569803278.db2.gz KGIFZUCQXYVRDU-QHCPKHFHSA-N 1 1 470.038 5.462 50 0 JKAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(Cl)cc2)CC1 ZINC000038546492 569803298 /nfs/dbraw/zinc/80/32/98/569803298.db2.gz AVPAHDAYXCXFGD-QHCPKHFHSA-N 1 1 470.038 5.462 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546755 569803522 /nfs/dbraw/zinc/80/35/22/569803522.db2.gz MVDJQVJNSQZFSE-XMMPIXPASA-N 1 1 467.704 6.139 50 0 JKAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000038546724 569803559 /nfs/dbraw/zinc/80/35/59/569803559.db2.gz IGCZALGLECMVRI-JOCHJYFZSA-N 1 1 455.649 5.024 50 0 JKAAMO Cc1cccc(N[C@@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)[nH+]1 ZINC000038547501 569803805 /nfs/dbraw/zinc/80/38/05/569803805.db2.gz ZNKSXCPBUCRQJJ-DEOSSOPVSA-N 1 1 459.640 6.846 50 0 JKAAMO COc1ccccc1[C@@H](Nc1cccc(C)[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000038547037 569803863 /nfs/dbraw/zinc/80/38/63/569803863.db2.gz VWUXQICKERITKJ-RUZDIDTESA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(Cl)cc2)[nH+]1 ZINC000038547313 569803867 /nfs/dbraw/zinc/80/38/67/569803867.db2.gz UXTNBXNMWWCNJY-DEOSSOPVSA-N 1 1 478.017 7.031 50 0 JKAAMO Cc1cc[nH+]c(N[C@@H](c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c2ccc3c(c2)OCO3)c1 ZINC000038547487 569803916 /nfs/dbraw/zinc/80/39/16/569803916.db2.gz KBKPBIXXAJCAAW-HHHXNRCGSA-N 1 1 497.620 6.513 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2F)c1 ZINC000038547386 569803970 /nfs/dbraw/zinc/80/39/70/569803970.db2.gz NRHVBIUAPUPANF-DEOSSOPVSA-N 1 1 461.562 6.516 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c2ccc3c(c2)OCO3)c1 ZINC000038547485 569803988 /nfs/dbraw/zinc/80/39/88/569803988.db2.gz KBKPBIXXAJCAAW-MHZLTWQESA-N 1 1 497.620 6.513 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2cccc(Cl)c2)c1C ZINC000038547564 569804069 /nfs/dbraw/zinc/80/40/69/569804069.db2.gz RJXSJPDFMOQGOP-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c1C ZINC000038547557 569804085 /nfs/dbraw/zinc/80/40/85/569804085.db2.gz SAQCERZPTZGHFJ-QFIPXVFZSA-N 1 1 451.979 6.769 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(Br)cc2)c1C ZINC000038547650 569804225 /nfs/dbraw/zinc/80/42/25/569804225.db2.gz ZCRQIUDUMFINCA-JOCHJYFZSA-N 1 1 496.430 6.878 50 0 JKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1OC ZINC000038547697 569804303 /nfs/dbraw/zinc/80/43/03/569804303.db2.gz FXUJWAXHKIXBBC-QHCPKHFHSA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(Br)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547884 569804335 /nfs/dbraw/zinc/80/43/35/569804335.db2.gz YRBAHSYTZYWHQS-JOCHJYFZSA-N 1 1 496.430 6.823 50 0 JKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1OC ZINC000038547703 569804337 /nfs/dbraw/zinc/80/43/37/569804337.db2.gz BKWPRMJAHMZGBU-HSZRJFAPSA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547868 569804345 /nfs/dbraw/zinc/80/43/45/569804345.db2.gz HWPJBADRZAUBKX-HSZRJFAPSA-N 1 1 463.628 6.783 50 0 JKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1OC ZINC000038547670 569804351 /nfs/dbraw/zinc/80/43/51/569804351.db2.gz XRQXRXJHIHGQLQ-XMMPIXPASA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547870 569804353 /nfs/dbraw/zinc/80/43/53/569804353.db2.gz HWPJBADRZAUBKX-QHCPKHFHSA-N 1 1 463.628 6.783 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547872 569804373 /nfs/dbraw/zinc/80/43/73/569804373.db2.gz XOSNSRJQRRLSTI-HSZRJFAPSA-N 1 1 463.628 6.783 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc3c(c2)OCO3)c1C ZINC000038547690 569804387 /nfs/dbraw/zinc/80/43/87/569804387.db2.gz RLQLJTNBFCUHJV-HSZRJFAPSA-N 1 1 461.543 5.844 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547748 569804407 /nfs/dbraw/zinc/80/44/07/569804407.db2.gz AVCFFZNBKXQRJL-JOCHJYFZSA-N 1 1 451.979 6.714 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547835 569804415 /nfs/dbraw/zinc/80/44/15/569804415.db2.gz JJLRQGCRCIBRIH-JOCHJYFZSA-N 1 1 485.531 7.080 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(Br)c2)c(NC(=O)c2ccco2)s1 ZINC000038547902 569804602 /nfs/dbraw/zinc/80/46/02/569804602.db2.gz WKBXYWNGHMXHSA-JOCHJYFZSA-N 1 1 496.430 6.823 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547911 569804609 /nfs/dbraw/zinc/80/46/09/569804609.db2.gz NQWFUANHEMGAEQ-DEOSSOPVSA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(OC)cc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547914 569804620 /nfs/dbraw/zinc/80/46/20/569804620.db2.gz JKJHHXRVNSWLRU-XMMPIXPASA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cc(OC)ccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547934 569804638 /nfs/dbraw/zinc/80/46/38/569804638.db2.gz ODGDZEQNRCGFMT-XMMPIXPASA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547899 569804650 /nfs/dbraw/zinc/80/46/50/569804650.db2.gz GURGXIKWQICUAP-QFIPXVFZSA-N 1 1 483.540 6.662 50 0 JKAAMO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](C)CC2)c1OC ZINC000038550544 569805022 /nfs/dbraw/zinc/80/50/22/569805022.db2.gz BCFXZEXEXMOZAH-JOCHJYFZSA-N 1 1 485.675 5.033 50 0 JKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000038551029 569805097 /nfs/dbraw/zinc/80/50/97/569805097.db2.gz OXSOQRLJVOKMJM-VWLOTQADSA-N 1 1 473.598 6.231 50 0 JKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1OC ZINC000038551034 569805103 /nfs/dbraw/zinc/80/51/03/569805103.db2.gz IFDQIUFDYQYSKR-XMMPIXPASA-N 1 1 473.598 6.231 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000038551028 569805113 /nfs/dbraw/zinc/80/51/13/569805113.db2.gz ANAUYBOUEXUBHX-RUZDIDTESA-N 1 1 473.598 6.231 50 0 JKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(OC(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038550989 569805192 /nfs/dbraw/zinc/80/51/92/569805192.db2.gz TWDJBHZGLSUESH-OAQYLSRUSA-N 1 1 469.513 6.408 50 0 JKAAMO FC(F)(F)c1cccc(OC2=CC[N@@H+](CCCN(c3ccccc3)c3ccccc3)CC2)c1 ZINC000039384127 569809620 /nfs/dbraw/zinc/80/96/20/569809620.db2.gz PHTCOIORGTWZOJ-UHFFFAOYSA-N 1 1 452.520 6.902 50 0 JKAAMO C[C@H](NC(=O)c1ccccc1Cl)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039700177 569811009 /nfs/dbraw/zinc/81/10/09/569811009.db2.gz SOBMBKFKPQQWLD-SBUREZEXSA-N 1 1 458.002 5.222 50 0 JKAAMO C[C@H](NC(=O)c1ccccc1Cl)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039700179 569811049 /nfs/dbraw/zinc/81/10/49/569811049.db2.gz SOBMBKFKPQQWLD-GAJHUEQPSA-N 1 1 458.002 5.222 50 0 JKAAMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1OCc1c(C)noc1C ZINC000040119668 569816591 /nfs/dbraw/zinc/81/65/91/569816591.db2.gz GRWFJJLANBITKE-GOSISDBHSA-N 1 1 463.578 5.506 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)C1 ZINC000040121405 569816793 /nfs/dbraw/zinc/81/67/93/569816793.db2.gz CTPVCHTXIZFAAM-KDURUIRLSA-N 1 1 467.560 5.347 50 0 JKAAMO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000102951087 569829811 /nfs/dbraw/zinc/82/98/11/569829811.db2.gz OGINYXKCGXTSFR-XCZPVHLTSA-N 1 1 452.602 5.534 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@H]1C2=C(CCCC2)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000103204077 569833757 /nfs/dbraw/zinc/83/37/57/569833757.db2.gz AAQWUXAIKSJXNF-WTILKEDBSA-N 1 1 474.645 5.503 50 0 JKAAMO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653337 569836939 /nfs/dbraw/zinc/83/69/39/569836939.db2.gz NIIPTCMLCFXJQK-ZCNNSNEGSA-N 1 1 453.030 5.402 50 0 JKAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104920072 569847226 /nfs/dbraw/zinc/84/72/26/569847226.db2.gz BCYNWSGEAWBBGC-UKILVPOCSA-N 1 1 471.567 5.017 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983095 569847962 /nfs/dbraw/zinc/84/79/62/569847962.db2.gz UKEDXPVJNPBQBJ-NHCUHLMSSA-N 1 1 465.421 5.022 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104982864 569848052 /nfs/dbraw/zinc/84/80/52/569848052.db2.gz QHQGHJBLSFZOGI-BJKOFHAPSA-N 1 1 499.438 5.566 50 0 JKAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982932 569848068 /nfs/dbraw/zinc/84/80/68/569848068.db2.gz HXMYAUYHMKSGBA-WOJBJXKFSA-N 1 1 485.839 5.428 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983207 569848296 /nfs/dbraw/zinc/84/82/96/569848296.db2.gz GFSUVMKAKLETEM-DHIUTWEWSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983207 569848298 /nfs/dbraw/zinc/84/82/98/569848298.db2.gz GFSUVMKAKLETEM-DHIUTWEWSA-N 1 1 482.983 5.223 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983166 569848325 /nfs/dbraw/zinc/84/83/25/569848325.db2.gz OUPYRAFXYKMKCL-DHIUTWEWSA-N 1 1 499.438 5.737 50 0 JKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984365 569848404 /nfs/dbraw/zinc/84/84/04/569848404.db2.gz DWKHZXSILPDTFP-IZZNHLLZSA-N 1 1 499.438 5.566 50 0 JKAAMO Cc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000104984535 569848482 /nfs/dbraw/zinc/84/84/82/569848482.db2.gz BYPFSCKDHWRKBE-AOYPEHQESA-N 1 1 464.993 5.084 50 0 JKAAMO Cc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000104984535 569848484 /nfs/dbraw/zinc/84/84/84/569848484.db2.gz BYPFSCKDHWRKBE-AOYPEHQESA-N 1 1 464.993 5.084 50 0 JKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984368 569848508 /nfs/dbraw/zinc/84/85/08/569848508.db2.gz DWKHZXSILPDTFP-CLJLJLNGSA-N 1 1 499.438 5.566 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984057 569848529 /nfs/dbraw/zinc/84/85/29/569848529.db2.gz BIVOZUYYWCHYRN-JWQCQUIFSA-N 1 1 464.993 5.084 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984057 569848530 /nfs/dbraw/zinc/84/85/30/569848530.db2.gz BIVOZUYYWCHYRN-JWQCQUIFSA-N 1 1 464.993 5.084 50 0 JKAAMO C[C@@H]([NH2+]Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000049581009 569849048 /nfs/dbraw/zinc/84/90/48/569849048.db2.gz ZBEHPOPXWBKQSK-GFCCVEGCSA-N 1 1 491.227 5.178 50 0 JKAAMO COc1ccc([C@H]([NH2+]Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)C(C)C)cc1 ZINC000049590084 569849293 /nfs/dbraw/zinc/84/92/93/569849293.db2.gz SQLBOMXNHFKDAM-GOSISDBHSA-N 1 1 495.215 5.356 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000105022460 569851117 /nfs/dbraw/zinc/85/11/17/569851117.db2.gz PETXHXVPZODTIH-RNWIMVQKSA-N 1 1 456.630 5.682 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000105012940 569851245 /nfs/dbraw/zinc/85/12/45/569851245.db2.gz WOBFMMXUQLTEOH-XMSQKQJNSA-N 1 1 473.564 5.249 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105023101 569851443 /nfs/dbraw/zinc/85/14/43/569851443.db2.gz AYYONEXDWRYLLW-HLADLETHSA-N 1 1 470.657 6.072 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105041341 569851586 /nfs/dbraw/zinc/85/15/86/569851586.db2.gz XOVCGJQEXIUTHS-KCWPFWIISA-N 1 1 463.597 5.176 50 0 JKAAMO Cc1cc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)oc1C ZINC000105042185 569851635 /nfs/dbraw/zinc/85/16/35/569851635.db2.gz FJOVDSHYEBCOSH-LEAFIULHSA-N 1 1 462.609 6.050 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105042066 569851646 /nfs/dbraw/zinc/85/16/46/569851646.db2.gz ADDHYRFDVZGMRR-SVEHJYQDSA-N 1 1 456.630 6.279 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000105042194 569851685 /nfs/dbraw/zinc/85/16/85/569851685.db2.gz GVYLDOMJLRWJFL-BDYUSTAISA-N 1 1 490.619 5.554 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041322 569851705 /nfs/dbraw/zinc/85/17/05/569851705.db2.gz XRASHGBJFYUEFB-WNJJXGMVSA-N 1 1 472.698 6.747 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105042711 569851814 /nfs/dbraw/zinc/85/18/14/569851814.db2.gz PKLOIWUEXNKRKI-FREGXXQWSA-N 1 1 490.619 5.416 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042449 569851840 /nfs/dbraw/zinc/85/18/40/569851840.db2.gz XKJBOOBHGDFFRS-LBNVMWSVSA-N 1 1 461.049 6.415 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(=O)N[C@@H](c3cccs3)c3ccc(C)cc3)C2)cc1 ZINC000106186327 569853885 /nfs/dbraw/zinc/85/38/85/569853885.db2.gz MJSSFQOHALEEGY-WXVAWEFUSA-N 1 1 490.673 5.104 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N[C@@H](c3cccs3)c3ccc(C)cc3)C2)cc1 ZINC000106186327 569853886 /nfs/dbraw/zinc/85/38/86/569853886.db2.gz MJSSFQOHALEEGY-WXVAWEFUSA-N 1 1 490.673 5.104 50 0 JKAAMO O=C(c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000140336246 569867363 /nfs/dbraw/zinc/86/73/63/569867363.db2.gz IPWAFJULWVHAIF-BKHFGAQXSA-N 1 1 459.589 6.284 50 0 JKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@H+]5CCC[C@@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000169620582 569868383 /nfs/dbraw/zinc/86/83/83/569868383.db2.gz AAUUMHAFSZYNOZ-TZYHBYERSA-N 1 1 459.615 5.558 50 0 JKAAMO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12)c1ccccc1 ZINC000169677759 569868846 /nfs/dbraw/zinc/86/88/46/569868846.db2.gz USZLTFXXAPXIGE-UODBTFMRSA-N 1 1 471.567 5.188 50 0 JKAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169677794 569868861 /nfs/dbraw/zinc/86/88/61/569868861.db2.gz BYPFSCKDHWRKBE-RSXGOPAZSA-N 1 1 464.993 5.084 50 0 JKAAMO Cc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169677794 569868862 /nfs/dbraw/zinc/86/88/62/569868862.db2.gz BYPFSCKDHWRKBE-RSXGOPAZSA-N 1 1 464.993 5.084 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169677802 569868900 /nfs/dbraw/zinc/86/89/00/569868900.db2.gz KVAVRNVXBLSTPT-WIOPSUGQSA-N 1 1 479.665 6.058 50 0 JKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677847 569869069 /nfs/dbraw/zinc/86/90/69/569869069.db2.gz JFRHLXCIJCHXCV-VWNXMTODSA-N 1 1 489.399 5.159 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678921 569869424 /nfs/dbraw/zinc/86/94/24/569869424.db2.gz KQYJAQZLNOMSBI-JTHBVZDNSA-N 1 1 451.611 5.266 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679086 569869483 /nfs/dbraw/zinc/86/94/83/569869483.db2.gz PDZJRYUJRMHQMZ-WIOPSUGQSA-N 1 1 479.665 6.058 50 0 JKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CCC2CCCC2)[C@@H](C)C1 ZINC000169679467 569869682 /nfs/dbraw/zinc/86/96/82/569869682.db2.gz YTYLABGOJKNUSQ-PZGXJGMVSA-N 1 1 493.717 5.034 50 0 JKAAMO 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ZINC000009933458 195025291 /nfs/dbraw/zinc/02/52/91/195025291.db2.gz HFDOZWGTNPWQKV-HHHXNRCGSA-N 1 1 470.613 5.071 50 0 JKAAMO CN(C(=O)C(C)(C)C)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012600236 195045628 /nfs/dbraw/zinc/04/56/28/195045628.db2.gz SVCRDKVASQZRMR-UHFFFAOYSA-N 1 1 499.655 5.008 50 0 JKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000012599064 195044412 /nfs/dbraw/zinc/04/44/12/195044412.db2.gz LSSNYKPAYFZJRD-HHHXNRCGSA-N 1 1 485.584 5.063 50 0 JKAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012848579 195153379 /nfs/dbraw/zinc/15/33/79/195153379.db2.gz PUXKLHOGSXOYEZ-UHFFFAOYSA-N 1 1 477.992 5.099 50 0 JKAAMO O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000012861294 195159279 /nfs/dbraw/zinc/15/92/79/195159279.db2.gz MTODSTANPUMWQD-UHFFFAOYSA-N 1 1 461.625 5.693 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735027 195212176 /nfs/dbraw/zinc/21/21/76/195212176.db2.gz PMWMSIDSJXMRIK-IKJQNQTJSA-N 1 1 484.065 5.523 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000020735344 195212377 /nfs/dbraw/zinc/21/23/77/195212377.db2.gz IVJSYJDLPMWRJM-UHFFFAOYSA-N 1 1 495.067 5.154 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000020735344 195212380 /nfs/dbraw/zinc/21/23/80/195212380.db2.gz IVJSYJDLPMWRJM-UHFFFAOYSA-N 1 1 495.067 5.154 50 0 JKAAMO O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000020813620 195228942 /nfs/dbraw/zinc/22/89/42/195228942.db2.gz BKNJGLAXQDQAEN-UHFFFAOYSA-N 1 1 495.673 6.298 50 0 JKAAMO O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020813620 195228945 /nfs/dbraw/zinc/22/89/45/195228945.db2.gz BKNJGLAXQDQAEN-UHFFFAOYSA-N 1 1 495.673 6.298 50 0 JKAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(C4CCCCC4)c(=O)c23)C1 ZINC000020827736 195229625 /nfs/dbraw/zinc/22/96/25/195229625.db2.gz DZIWOQGXHVWLIO-UHFFFAOYSA-N 1 1 494.513 6.550 50 0 JKAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(C4CCCCC4)c(=O)c23)C1 ZINC000020827736 195229628 /nfs/dbraw/zinc/22/96/28/195229628.db2.gz DZIWOQGXHVWLIO-UHFFFAOYSA-N 1 1 494.513 6.550 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1 ZINC000020737093 195213334 /nfs/dbraw/zinc/21/33/34/195213334.db2.gz JZWMEGQJFOAZMJ-VFCFBJKWSA-N 1 1 497.664 5.453 50 0 JKAAMO COc1ccccc1Oc1coc2c(ccc3c2CN(C[C@@H]2CCC[N@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020763427 195219588 /nfs/dbraw/zinc/21/95/88/195219588.db2.gz GWPIUSSYLMFOLM-SIKLNZKXSA-N 1 1 476.573 5.010 50 0 biogenic JKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000020779257 195224385 /nfs/dbraw/zinc/22/43/85/195224385.db2.gz RVTXHXVZWLEHIY-UHFFFAOYSA-N 1 1 493.723 6.914 50 0 JKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000020779257 195224387 /nfs/dbraw/zinc/22/43/87/195224387.db2.gz RVTXHXVZWLEHIY-UHFFFAOYSA-N 1 1 493.723 6.914 50 0 JKAAMO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020784033 195224827 /nfs/dbraw/zinc/22/48/27/195224827.db2.gz JMGNWAWVAOAAEZ-QFIPXVFZSA-N 1 1 456.540 6.172 50 0 JKAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904343 195244239 /nfs/dbraw/zinc/24/42/39/195244239.db2.gz RNJNAOFPFSUPLH-JWQCQUIFSA-N 1 1 469.695 5.313 50 0 JKAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996920 195264980 /nfs/dbraw/zinc/26/49/80/195264980.db2.gz YWYAWGDLZBVAFA-QFIPXVFZSA-N 1 1 468.576 6.041 50 0 JKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)[C@H]2c1ccccc1 ZINC000021045541 195271609 /nfs/dbraw/zinc/27/16/09/195271609.db2.gz WFLMQYXHQBPEBB-VWLOTQADSA-N 1 1 450.604 5.222 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)[C@H]2c1ccccc1 ZINC000021045541 195271612 /nfs/dbraw/zinc/27/16/12/195271612.db2.gz WFLMQYXHQBPEBB-VWLOTQADSA-N 1 1 450.604 5.222 50 0 JKAAMO CCOc1ccc([C@H]([NH2+]Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C(C)C)cc1OCC ZINC000021327344 195294332 /nfs/dbraw/zinc/29/43/32/195294332.db2.gz BQEKNXWDWWLHPR-JOCHJYFZSA-N 1 1 463.500 6.040 50 0 JKAAMO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+]2CCCC[C@@H]2C)C3=O)s1 ZINC000021526060 195304863 /nfs/dbraw/zinc/30/48/63/195304863.db2.gz YXSDNEDKHWKLFG-WTYVLRPYSA-N 1 1 498.737 5.193 50 0 JKAAMO O=C(c1cccc(F)c1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796476 195322417 /nfs/dbraw/zinc/32/24/17/195322417.db2.gz PPZMNRMHDHYAQP-UHFFFAOYSA-N 1 1 495.533 5.328 50 0 JKAAMO O=C(c1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796463 195322593 /nfs/dbraw/zinc/32/25/93/195322593.db2.gz QLWVXANILZNWQO-UHFFFAOYSA-N 1 1 495.533 5.328 50 0 JKAAMO Cc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)CC1 ZINC000021796621 195322600 /nfs/dbraw/zinc/32/26/00/195322600.db2.gz GMEJRWDXGNJVIB-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO Cc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)c1 ZINC000021796632 195322641 /nfs/dbraw/zinc/32/26/41/195322641.db2.gz UAMFQNUUEWHYKO-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796672 195322689 /nfs/dbraw/zinc/32/26/89/195322689.db2.gz UJPYXTSJOXOBRX-UHFFFAOYSA-N 1 1 493.998 5.703 50 0 JKAAMO COc1ccccc1C(=O)Nc1ccc2[nH]c(C)c([C@H](Nc3cc(C)cc[nH+]3)c3ccccn3)c2c1 ZINC000021805884 195323685 /nfs/dbraw/zinc/32/36/85/195323685.db2.gz PEIMEXMJUMWFJG-MUUNZHRXSA-N 1 1 477.568 6.037 50 0 JKAAMO COc1ccc(C(=O)Nc2ccc3[nH]c(C)c([C@@H](Nc4cc(C)cc[nH+]4)c4ccccn4)c3c2)cc1 ZINC000021805908 195323792 /nfs/dbraw/zinc/32/37/92/195323792.db2.gz GGOJDHIREJLKRI-NDEPHWFRSA-N 1 1 477.568 6.037 50 0 JKAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1CC)C[N@@H+](C)CC3 ZINC000021918978 195333405 /nfs/dbraw/zinc/33/34/05/195333405.db2.gz RRWZBTHRRDPQRF-NRFANRHFSA-N 1 1 478.618 5.202 50 0 JKAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1CC)C[N@H+](C)CC3 ZINC000021918978 195333406 /nfs/dbraw/zinc/33/34/06/195333406.db2.gz RRWZBTHRRDPQRF-NRFANRHFSA-N 1 1 478.618 5.202 50 0 JKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1CC)C[N@@H+](C)CC3 ZINC000021918991 195333432 /nfs/dbraw/zinc/33/34/32/195333432.db2.gz XXHKBVCGPHDCQB-HXUWFJFHSA-N 1 1 450.608 5.424 50 0 JKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1CC)C[N@H+](C)CC3 ZINC000021918991 195333433 /nfs/dbraw/zinc/33/34/33/195333433.db2.gz XXHKBVCGPHDCQB-HXUWFJFHSA-N 1 1 450.608 5.424 50 0 JKAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934676 195335963 /nfs/dbraw/zinc/33/59/63/195335963.db2.gz CKHGASKDFQMOFT-UHFFFAOYSA-N 1 1 476.580 5.365 50 0 JKAAMO C[N@@H+](CCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)C1CCCCC1 ZINC000021935029 195336224 /nfs/dbraw/zinc/33/62/24/195336224.db2.gz TZXDYDJNKZSCBN-UHFFFAOYSA-N 1 1 467.411 5.054 50 0 JKAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000057553703 195350609 /nfs/dbraw/zinc/35/06/09/195350609.db2.gz BUNXEENNTHHAEK-CWTRNNRKSA-N 1 1 451.336 5.495 50 0 JKAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000057553699 195350787 /nfs/dbraw/zinc/35/07/87/195350787.db2.gz BUNXEENNTHHAEK-HXPMCKFVSA-N 1 1 451.336 5.495 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000058157201 195367509 /nfs/dbraw/zinc/36/75/09/195367509.db2.gz CPORBTSCXVGILK-BXKMTCNYSA-N 1 1 453.380 5.014 50 0 JKAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058160392 195368728 /nfs/dbraw/zinc/36/87/28/195368728.db2.gz ZGVGNJROUMBWGB-XMMPIXPASA-N 1 1 470.922 6.828 50 0 JKAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058160392 195368731 /nfs/dbraw/zinc/36/87/31/195368731.db2.gz ZGVGNJROUMBWGB-XMMPIXPASA-N 1 1 470.922 6.828 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000058162401 195369546 /nfs/dbraw/zinc/36/95/46/195369546.db2.gz NLYWFHNHWMICGE-UHFFFAOYSA-N 1 1 465.553 5.265 50 0 JKAAMO C[C@@H](c1nn(CN2CCC[C@H](C(F)(F)F)C2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000058166101 195370114 /nfs/dbraw/zinc/37/01/14/195370114.db2.gz PTEZGPDMXWTNOZ-ROUUACIJSA-N 1 1 453.578 5.182 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(OC)cc32)c2cccc(OCc3ccccc3)c2)CC1 ZINC000096275429 130011389 /nfs/dbraw/zinc/01/13/89/130011389.db2.gz TWOBRAGENULIPK-HHHXNRCGSA-N 1 1 497.639 5.442 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4cccs4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275733 130012472 /nfs/dbraw/zinc/01/24/72/130012472.db2.gz XFKSIAWUZIIYHR-UHFFFAOYSA-N 1 1 486.641 5.090 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccccc2F)CC1 ZINC000096275674 130012538 /nfs/dbraw/zinc/01/25/38/130012538.db2.gz FRCJWFNLYGXGKO-HHHXNRCGSA-N 1 1 499.630 5.523 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275789 130012858 /nfs/dbraw/zinc/01/28/58/130012858.db2.gz NZLLTXJHPNLTES-UHFFFAOYSA-N 1 1 494.639 5.336 50 0 JKAAMO Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000096281487 130027701 /nfs/dbraw/zinc/02/77/01/130027701.db2.gz INLGJIOMGLNXQN-IGKIAQTJSA-N 1 1 498.545 5.480 50 0 JKAAMO COc1ccccc1O[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000096281689 130028486 /nfs/dbraw/zinc/02/84/86/130028486.db2.gz KBTGBFHNAPDQNT-VWLOTQADSA-N 1 1 451.010 5.677 50 0 JKAAMO COc1ccccc1O[C@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000096281690 130028578 /nfs/dbraw/zinc/02/85/78/130028578.db2.gz KBTGBFHNAPDQNT-RUZDIDTESA-N 1 1 451.010 5.677 50 0 JKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)CC(C)C)CC4)n3c2)c1 ZINC000096287418 130030650 /nfs/dbraw/zinc/03/06/50/130030650.db2.gz XYLBHARTITZUQQ-UHFFFAOYSA-N 1 1 480.656 5.975 50 0 JKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C(C)C)CC4)n3c2)cc1 ZINC000096287444 130030679 /nfs/dbraw/zinc/03/06/79/130030679.db2.gz RWNCGWWKJKOITI-UHFFFAOYSA-N 1 1 480.612 5.171 50 0 JKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2cc(C)ccc2F)CC1 ZINC000096287569 130031298 /nfs/dbraw/zinc/03/12/98/130031298.db2.gz AKANKIKYMZLTAE-AREMUKBSSA-N 1 1 483.631 5.823 50 0 JKAAMO Cc1ccc(-c2nnc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2-c2ccc(C)cc2)cc1 ZINC000096288511 130032599 /nfs/dbraw/zinc/03/25/99/130032599.db2.gz ODRCSXXPLCNKCT-UHFFFAOYSA-N 1 1 497.668 5.231 50 0 JKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C(C)C)CC4)n3c2)c1 ZINC000096289769 130037478 /nfs/dbraw/zinc/03/74/78/130037478.db2.gz AEQNKDZSQKZLAD-UHFFFAOYSA-N 1 1 482.628 5.367 50 0 JKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)CC(C)C)CC4)n3c2)c1 ZINC000096292429 130045225 /nfs/dbraw/zinc/04/52/25/130045225.db2.gz PAMQRPIAWOYIOV-UHFFFAOYSA-N 1 1 496.655 5.757 50 0 JKAAMO C[C@@H]1CCc2c(c3ccccc3n2C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000096300010 130053626 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ZINC000033643269 518630092 /nfs/dbraw/zinc/63/00/92/518630092.db2.gz SRPCSAOHTOKPGI-UHFFFAOYSA-N 1 1 456.472 7.688 50 0 JKAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146044 518877999 /nfs/dbraw/zinc/87/79/99/518877999.db2.gz PAGVNWUHZGQOLH-UXHICEINSA-N 1 1 465.421 5.165 50 0 JKAAMO CC(C)C[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447427 519284950 /nfs/dbraw/zinc/28/49/50/519284950.db2.gz HLDGSMNWTJGRFK-XZOQPEGZSA-N 1 1 466.847 5.452 50 0 JKAAMO CC(C)C[C@](O)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447429 519423088 /nfs/dbraw/zinc/42/30/88/519423088.db2.gz HLDGSMNWTJGRFK-PKTZIBPZSA-N 1 1 466.847 5.452 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)CCN1c2cccnc2Sc2ccccc2C1=O)Cc1ccccc1 ZINC000020512240 519643228 /nfs/dbraw/zinc/64/32/28/519643228.db2.gz LVRXLLDHGLEELA-UHFFFAOYSA-N 1 1 488.657 5.000 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036307060 519653334 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CURVSYVAOPJFFZ-SFTDATJTSA-N 1 1 483.411 5.161 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146042 519756027 /nfs/dbraw/zinc/75/60/27/519756027.db2.gz QFAPNMPNOGSIED-SFTDATJTSA-N 1 1 465.421 5.022 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307890 519756053 /nfs/dbraw/zinc/75/60/53/519756053.db2.gz NVLJKAMGXZKWHH-DEOSSOPVSA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307890 519756055 /nfs/dbraw/zinc/75/60/55/519756055.db2.gz NVLJKAMGXZKWHH-DEOSSOPVSA-N 1 1 495.639 5.925 50 0 JKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036307381 519757643 /nfs/dbraw/zinc/75/76/43/519757643.db2.gz IBWSLOAYTNGLTJ-XMMPIXPASA-N 1 1 483.628 5.510 50 0 JKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307108 519757759 /nfs/dbraw/zinc/75/77/59/519757759.db2.gz UMRLYPRALZKRRR-HSZRJFAPSA-N 1 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CC(C)OC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307924 519773961 /nfs/dbraw/zinc/77/39/61/519773961.db2.gz HPMDIVAUJYHFSB-XMMPIXPASA-N 1 1 495.639 5.925 50 0 JKAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306603 519881454 /nfs/dbraw/zinc/88/14/54/519881454.db2.gz ALZRAYVPCVXYNM-XMMPIXPASA-N 1 1 491.632 5.104 50 0 JKAAMO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1CC2 ZINC000012437257 519883789 /nfs/dbraw/zinc/88/37/89/519883789.db2.gz RMONCBZDZRQCGQ-UHFFFAOYSA-N 1 1 477.649 5.327 50 0 biogenic JKAAMO CCCCC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022644869 519908169 /nfs/dbraw/zinc/90/81/69/519908169.db2.gz OHHQVANHUDQWIW-UHFFFAOYSA-N 1 1 463.449 5.824 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307037 520095660 /nfs/dbraw/zinc/09/56/60/520095660.db2.gz QVZWQBIBKBYFII-QFIPXVFZSA-N 1 1 479.552 5.011 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307037 520095671 /nfs/dbraw/zinc/09/56/71/520095671.db2.gz QVZWQBIBKBYFII-QFIPXVFZSA-N 1 1 479.552 5.011 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307527 520154979 /nfs/dbraw/zinc/15/49/79/520154979.db2.gz UFQNDIHZVKKETJ-JOCHJYFZSA-N 1 1 479.552 5.011 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307527 520154982 /nfs/dbraw/zinc/15/49/82/520154982.db2.gz UFQNDIHZVKKETJ-JOCHJYFZSA-N 1 1 479.552 5.011 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303620 520155842 /nfs/dbraw/zinc/15/58/42/520155842.db2.gz QWSPFBBMRKYRNE-JOCHJYFZSA-N 1 1 470.013 5.236 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307916 520155994 /nfs/dbraw/zinc/15/59/94/520155994.db2.gz XQUKAIGRMYHCMQ-JOCHJYFZSA-N 1 1 467.585 5.289 50 0 JKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036307916 520156005 /nfs/dbraw/zinc/15/60/05/520156005.db2.gz XQUKAIGRMYHCMQ-JOCHJYFZSA-N 1 1 467.585 5.289 50 0 JKAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000008593015 520399580 /nfs/dbraw/zinc/39/95/80/520399580.db2.gz YTIQOWDFOYKMNU-UHFFFAOYSA-N 1 1 460.441 5.578 50 0 JKAAMO CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)ccc1OC ZINC000014995407 520699680 /nfs/dbraw/zinc/69/96/80/520699680.db2.gz YDDSLZHZDLVEPF-IRLDBZIGSA-N 1 1 476.539 5.126 50 0 JKAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000012411482 520780062 /nfs/dbraw/zinc/78/00/62/520780062.db2.gz LIEPOPJIKJBLKK-QKZGOTKPSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000012411482 520780068 /nfs/dbraw/zinc/78/00/68/520780068.db2.gz LIEPOPJIKJBLKK-QKZGOTKPSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036302229 520798795 /nfs/dbraw/zinc/79/87/95/520798795.db2.gz ZXHBWQFGCAYJDI-RPWUZVMVSA-N 1 1 479.621 5.124 50 0 JKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036302229 520798803 /nfs/dbraw/zinc/79/88/03/520798803.db2.gz ZXHBWQFGCAYJDI-RPWUZVMVSA-N 1 1 479.621 5.124 50 0 JKAAMO CCOc1ccc(-n2c(C[NH2+][C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc3ccccc3c2=O)cc1 ZINC000016694976 520832457 /nfs/dbraw/zinc/83/24/57/520832457.db2.gz WUKSMJZMWWCCMW-LJAQVGFWSA-N 1 1 499.611 5.433 50 0 JKAAMO CCOc1ccc(-n2c(C[NH2+][C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc3ccccc3c2=O)cc1 ZINC000016694977 520832873 /nfs/dbraw/zinc/83/28/73/520832873.db2.gz WUKSMJZMWWCCMW-GDLZYMKVSA-N 1 1 499.611 5.433 50 0 JKAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)[nH+]c(C)n1 ZINC000033324507 520878765 /nfs/dbraw/zinc/87/87/65/520878765.db2.gz BZIAHEPOHTZADH-UHFFFAOYSA-N 1 1 480.421 5.482 50 0 JKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428981 520892446 /nfs/dbraw/zinc/89/24/46/520892446.db2.gz MIEOGAKZEZQIJG-PXJZQJOASA-N 1 1 485.031 5.304 50 0 biogenic JKAAMO CCCCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000016474451 520897589 /nfs/dbraw/zinc/89/75/89/520897589.db2.gz TVBIDQIRQRZGFA-PQHLKRTFSA-N 1 1 475.629 5.226 50 0 JKAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036248927 520935691 /nfs/dbraw/zinc/93/56/91/520935691.db2.gz OGIZWKNYOXVUMA-QHCPKHFHSA-N 1 1 469.626 5.207 50 0 JKAAMO CCC[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447404 520939660 /nfs/dbraw/zinc/93/96/60/520939660.db2.gz OCVGPQWRSPURJS-FCHUYYIVSA-N 1 1 452.820 5.206 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000033268845 520963934 /nfs/dbraw/zinc/96/39/34/520963934.db2.gz QMJBSLYLSZMFIN-UHFFFAOYSA-N 1 1 481.621 6.024 50 0 JKAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000033268845 520963947 /nfs/dbraw/zinc/96/39/47/520963947.db2.gz QMJBSLYLSZMFIN-UHFFFAOYSA-N 1 1 481.621 6.024 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268842 520964334 /nfs/dbraw/zinc/96/43/34/520964334.db2.gz POZPZABUXATKOV-UHFFFAOYSA-N 1 1 465.594 5.619 50 0 JKAAMO CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036306989 521182844 /nfs/dbraw/zinc/18/28/44/521182844.db2.gz MSYVVCPAJNLXHM-QFIPXVFZSA-N 1 1 463.553 5.775 50 0 JKAAMO CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036306989 521182854 /nfs/dbraw/zinc/18/28/54/521182854.db2.gz MSYVVCPAJNLXHM-QFIPXVFZSA-N 1 1 463.553 5.775 50 0 JKAAMO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000033106301 521198353 /nfs/dbraw/zinc/19/83/53/521198353.db2.gz UQFKXEPLMRSJDM-HXUWFJFHSA-N 1 1 458.606 5.102 50 0 JKAAMO CCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447058 521251031 /nfs/dbraw/zinc/25/10/31/521251031.db2.gz ZMLNNQLTGUYYCA-IZLXSDGUSA-N 1 1 466.021 5.285 50 0 JKAAMO CCOc1ccc([C@@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447073 521251154 /nfs/dbraw/zinc/25/11/54/521251154.db2.gz FHMQOJIRMILRRQ-VMPREFPWSA-N 1 1 480.048 5.675 50 0 JKAAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547630 521263988 /nfs/dbraw/zinc/26/39/88/521263988.db2.gz SGEZMYGLDIPBPZ-DEOSSOPVSA-N 1 1 461.587 6.514 50 0 JKAAMO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@@H](CC)c1cccs1 ZINC000014884352 521578837 /nfs/dbraw/zinc/57/88/37/521578837.db2.gz WHUMLYADZKYQIM-SFHVURJKSA-N 1 1 452.605 5.475 50 0 JKAAMO CCCn1c(C[NH2+][C@@H](c2cccs2)c2ccc(CC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012519925 521629536 /nfs/dbraw/zinc/62/95/36/521629536.db2.gz XHWBWSINZYPNHL-AREMUKBSSA-N 1 1 496.702 5.200 50 0 JKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc12)CC1CC1 ZINC000022640202 521671110 /nfs/dbraw/zinc/67/11/10/521671110.db2.gz IADCSNUATROOQG-AHCMPFEKSA-N 1 1 467.698 6.248 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036308269 521678145 /nfs/dbraw/zinc/67/81/45/521678145.db2.gz ULYYVFNGQMTUSI-JOCHJYFZSA-N 1 1 451.611 5.267 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307675 521678180 /nfs/dbraw/zinc/67/81/80/521678180.db2.gz XYYBSOCHTFIZRV-RUZDIDTESA-N 1 1 473.592 5.834 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036307638 521678459 /nfs/dbraw/zinc/67/84/59/521678459.db2.gz XZEAMXVMUJPJPP-XMMPIXPASA-N 1 1 489.591 5.670 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036305559 521678480 /nfs/dbraw/zinc/67/84/80/521678480.db2.gz XZBGIITTWJEHLV-QFIPXVFZSA-N 1 1 481.637 5.276 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036305535 521678600 /nfs/dbraw/zinc/67/86/00/521678600.db2.gz DJODSQHKFHLBMW-RUZDIDTESA-N 1 1 485.628 5.704 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305889 521678631 /nfs/dbraw/zinc/67/86/31/521678631.db2.gz QMVSHUWDYKRBQD-VWLOTQADSA-N 1 1 485.628 5.704 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)Cc1ccccc1 ZINC000036305537 521678721 /nfs/dbraw/zinc/67/87/21/521678721.db2.gz DJODSQHKFHLBMW-VWLOTQADSA-N 1 1 485.628 5.704 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306255 521678792 /nfs/dbraw/zinc/67/87/92/521678792.db2.gz ICDUGSIHWBBXCU-QHCPKHFHSA-N 1 1 481.637 5.134 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304177 521679001 /nfs/dbraw/zinc/67/90/01/521679001.db2.gz UDXGHGRJBXEVJK-HSZRJFAPSA-N 1 1 487.591 5.497 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036304162 521679088 /nfs/dbraw/zinc/67/90/88/521679088.db2.gz OHJMDRZMLBSQIP-JOCHJYFZSA-N 1 1 473.564 5.249 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036304559 521679109 /nfs/dbraw/zinc/67/91/09/521679109.db2.gz TYWYLXSPMFLDLJ-HSZRJFAPSA-N 1 1 481.637 5.370 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036303934 521679256 /nfs/dbraw/zinc/67/92/56/521679256.db2.gz PVBUUSRZGKTHPO-HSZRJFAPSA-N 1 1 481.637 5.370 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036303905 521679352 /nfs/dbraw/zinc/67/93/52/521679352.db2.gz FTVZPBWBEBBFDB-AREMUKBSSA-N 1 1 485.628 5.797 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036304854 521679390 /nfs/dbraw/zinc/67/93/90/521679390.db2.gz TZBXYKLZDCHVBD-MUUNZHRXSA-N 1 1 499.655 6.071 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036303910 521679408 /nfs/dbraw/zinc/67/94/08/521679408.db2.gz XLYVLCLPAGXWGO-DEOSSOPVSA-N 1 1 481.637 5.227 50 0 JKAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249849 521679704 /nfs/dbraw/zinc/67/97/04/521679704.db2.gz CUDXLMUSKRSRKK-RUZDIDTESA-N 1 1 463.622 5.122 50 0 JKAAMO CCN1CC[NH+](CCCNC(=O)c2sc3c(cnc4ccccc34)c2-c2ccc(C)c(C)c2)CC1 ZINC000045943857 521681852 /nfs/dbraw/zinc/68/18/52/521681852.db2.gz OUMQFLBTRDDUCJ-UHFFFAOYSA-N 1 1 486.685 5.491 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(C)c1 ZINC000036203499 521682522 /nfs/dbraw/zinc/68/25/22/521682522.db2.gz ICKXTJKHRZRMLB-UHFFFAOYSA-N 1 1 461.552 6.563 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1 ZINC000036203431 521682701 /nfs/dbraw/zinc/68/27/01/521682701.db2.gz DQTHZDAXJSXHSR-UHFFFAOYSA-N 1 1 453.629 6.108 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167855 521682766 /nfs/dbraw/zinc/68/27/66/521682766.db2.gz AZHFAOOPEJGOLP-UHFFFAOYSA-N 1 1 477.551 6.263 50 0 JKAAMO CCC[N@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202935 521691660 /nfs/dbraw/zinc/69/16/60/521691660.db2.gz CYHMJTRPGXAWKD-UHFFFAOYSA-N 1 1 453.554 6.316 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2OC)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427412 521724762 /nfs/dbraw/zinc/72/47/62/521724762.db2.gz BSOVZONVJZNFBN-MHZLTWQESA-N 1 1 498.652 6.063 50 0 JKAAMO COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002916729 522166806 /nfs/dbraw/zinc/16/68/06/522166806.db2.gz CWDIAJGVSMONCE-DQEYMECFSA-N 1 1 484.943 5.239 50 0 JKAAMO COc1cc(C)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1C ZINC000016672176 522194294 /nfs/dbraw/zinc/19/42/94/522194294.db2.gz HFMQEVDBPBDJFI-HHHXNRCGSA-N 1 1 451.994 6.130 50 0 JKAAMO COc1cc(C)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1C ZINC000016672176 522194303 /nfs/dbraw/zinc/19/43/03/522194303.db2.gz HFMQEVDBPBDJFI-HHHXNRCGSA-N 1 1 451.994 6.130 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)ccc2c1NC(=O)C1CCCCC1 ZINC000012217592 522436424 /nfs/dbraw/zinc/43/64/24/522436424.db2.gz WUFFFPATUQDBOI-JOCHJYFZSA-N 1 1 492.645 5.724 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)ccc2c1NC(=O)C1CCCCC1 ZINC000012217592 522436431 /nfs/dbraw/zinc/43/64/31/522436431.db2.gz WUFFFPATUQDBOI-JOCHJYFZSA-N 1 1 492.645 5.724 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036302623 522639318 /nfs/dbraw/zinc/63/93/18/522639318.db2.gz BECRUEMTPWSKQU-XMMPIXPASA-N 1 1 493.648 5.234 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036302889 522640334 /nfs/dbraw/zinc/64/03/34/522640334.db2.gz JYLCNSOYBMPACK-SANMLTNESA-N 1 1 485.628 5.279 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036302889 522640345 /nfs/dbraw/zinc/64/03/45/522640345.db2.gz JYLCNSOYBMPACK-SANMLTNESA-N 1 1 485.628 5.279 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)CC)C[C@@H]1CCCO1 ZINC000036303170 522642260 /nfs/dbraw/zinc/64/22/60/522642260.db2.gz JYRMCIYFTBHTJM-YADHBBJMSA-N 1 1 467.585 5.118 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)CC)C[C@@H]1CCCO1 ZINC000036303170 522642265 /nfs/dbraw/zinc/64/22/65/522642265.db2.gz JYRMCIYFTBHTJM-YADHBBJMSA-N 1 1 467.585 5.118 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036302762 522642759 /nfs/dbraw/zinc/64/27/59/522642759.db2.gz BWKWLRWURJHHOR-AREMUKBSSA-N 1 1 497.639 5.804 50 0 JKAAMO C[N@@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000033258019 522770353 /nfs/dbraw/zinc/77/03/53/522770353.db2.gz OIEDJMOXZPKETR-UHFFFAOYSA-N 1 1 451.574 5.139 50 0 JKAAMO COc1cc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000021670496 522914250 /nfs/dbraw/zinc/91/42/50/522914250.db2.gz RWQJIRWUKNZWHK-LJAQVGFWSA-N 1 1 485.628 5.409 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466732 523020649 /nfs/dbraw/zinc/02/06/49/523020649.db2.gz JSRUSQXJSBSXJI-FQEVSTJZSA-N 1 1 470.082 6.665 50 0 JKAAMO CCn1c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277408 523115760 /nfs/dbraw/zinc/11/57/60/523115760.db2.gz XLZQYRWKEUYNDB-HXUWFJFHSA-N 1 1 475.662 5.427 50 0 JKAAMO COc1ccc(-c2cn3c4ccc(C(=O)N5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000020490302 523144582 /nfs/dbraw/zinc/14/45/82/523144582.db2.gz UEEJUZQHIDLKBU-UHFFFAOYSA-N 1 1 482.609 5.183 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809867 523166447 /nfs/dbraw/zinc/16/64/47/523166447.db2.gz ZTUJHODJTRLSFY-DFHRPNOPSA-N 1 1 498.737 5.411 50 0 JKAAMO COc1ccc(-c2csc3nc(C[N@H+](Cc4ccc(Cl)cc4)CC(C)C)cc(=O)n23)cc1 ZINC000033268811 523172057 /nfs/dbraw/zinc/17/20/57/523172057.db2.gz DYLHTMDPAFZVPH-UHFFFAOYSA-N 1 1 468.022 5.743 50 0 JKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccc(F)c1 ZINC000036203089 523263266 /nfs/dbraw/zinc/26/32/66/523263266.db2.gz DWVJFEQZFOGYNR-UHFFFAOYSA-N 1 1 459.561 5.742 50 0 JKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203109 523263915 /nfs/dbraw/zinc/26/39/15/523263915.db2.gz FIRZSZYVIKIHOI-UHFFFAOYSA-N 1 1 495.541 6.020 50 0 JKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)Cc3ccsc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012244747 523273581 /nfs/dbraw/zinc/27/35/81/523273581.db2.gz KUSHDAFTKQRRLS-UHFFFAOYSA-N 1 1 485.653 5.541 50 0 JKAAMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000048374658 523299773 /nfs/dbraw/zinc/29/97/73/523299773.db2.gz ULAQYPNIDCBQHA-UHFFFAOYSA-N 1 1 480.474 5.009 50 0 JKAAMO COCCCNC(=O)COc1ccc(-c2csc3ccccc32)cc1C[N@H+](C)Cc1ccoc1 ZINC000014882052 523328971 /nfs/dbraw/zinc/32/89/71/523328971.db2.gz QFVDGVXXUQWASA-UHFFFAOYSA-N 1 1 478.614 5.325 50 0 JKAAMO COCCCNC(=O)COc1ccc(-c2csc3ccccc32)cc1C[N@@H+](C)Cc1ccoc1 ZINC000014882052 523328983 /nfs/dbraw/zinc/32/89/83/523328983.db2.gz QFVDGVXXUQWASA-UHFFFAOYSA-N 1 1 478.614 5.325 50 0 JKAAMO COCC[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036307832 523737093 /nfs/dbraw/zinc/73/70/93/523737093.db2.gz PEYFZZMQSYXHBA-QHCPKHFHSA-N 1 1 499.627 5.161 50 0 JKAAMO COCC[N@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036307832 523737099 /nfs/dbraw/zinc/73/70/99/523737099.db2.gz PEYFZZMQSYXHBA-QHCPKHFHSA-N 1 1 499.627 5.161 50 0 JKAAMO COCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1 ZINC000036156166 523745595 /nfs/dbraw/zinc/74/55/95/523745595.db2.gz FRRKUZUFUUGCGO-UHFFFAOYSA-N 1 1 469.628 5.344 50 0 JKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1 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CCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000002361243 554165942 /nfs/dbraw/zinc/16/59/42/554165942.db2.gz GKNOHMFUGXXNQF-UHFFFAOYSA-N 1 1 487.629 5.339 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000002419630 554197527 /nfs/dbraw/zinc/19/75/27/554197527.db2.gz JUGCJWPTBXNLDX-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OCC)cc1OC ZINC000002449798 554217186 /nfs/dbraw/zinc/21/71/86/554217186.db2.gz ADDYGOBWLCXWRD-VSGBNLITSA-N 1 1 496.567 5.297 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000002541784 554233836 /nfs/dbraw/zinc/23/38/36/554233836.db2.gz SPTCHXMXJLCVKD-JWQCQUIFSA-N 1 1 454.555 5.221 50 0 JKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Br)c2)c1 ZINC000002542278 554233879 /nfs/dbraw/zinc/23/38/79/554233879.db2.gz JMSFZLIYMHEQKG-DNQXCXABSA-N 1 1 487.357 5.262 50 0 JKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000002586872 554238522 /nfs/dbraw/zinc/23/85/22/554238522.db2.gz AWBIKWKSTZCTTB-NRFANRHFSA-N 1 1 484.419 5.506 50 0 JKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000002586872 554238526 /nfs/dbraw/zinc/23/85/26/554238526.db2.gz AWBIKWKSTZCTTB-NRFANRHFSA-N 1 1 484.419 5.506 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002714399 554299964 /nfs/dbraw/zinc/29/99/64/554299964.db2.gz CJKVUOJSWISHAT-UHFFFAOYSA-N 1 1 480.015 6.376 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCN2CCCC2=O)cc1Cl ZINC000002714259 554299985 /nfs/dbraw/zinc/29/99/85/554299985.db2.gz DVJMTHZXFWEADY-UHFFFAOYSA-N 1 1 459.981 5.474 50 0 JKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)cc1 ZINC000002714396 554300008 /nfs/dbraw/zinc/30/00/08/554300008.db2.gz HXXPOKFOVVCUKK-UHFFFAOYSA-N 1 1 487.607 5.925 50 0 JKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)c1C ZINC000002714463 554300024 /nfs/dbraw/zinc/30/00/24/554300024.db2.gz DOCWRWCSPXSZRM-UHFFFAOYSA-N 1 1 494.042 6.684 50 0 JKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000002714287 554300044 /nfs/dbraw/zinc/30/00/44/554300044.db2.gz HFWVDWFFXBJZFE-DEOSSOPVSA-N 1 1 473.624 6.419 50 0 JKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1OC ZINC000002714465 554300076 /nfs/dbraw/zinc/30/00/76/554300076.db2.gz FGOULYIZRNWMTH-UHFFFAOYSA-N 1 1 484.987 6.413 50 0 JKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000002714501 554300090 /nfs/dbraw/zinc/30/00/90/554300090.db2.gz HNMRMARKQQNNSH-IAGOWNOFSA-N 1 1 463.379 5.464 50 0 JKAAMO Fc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000002714476 554300092 /nfs/dbraw/zinc/30/00/92/554300092.db2.gz UNOVYWXOYREPRR-UHFFFAOYSA-N 1 1 483.978 6.207 50 0 JKAAMO Cc1ccc(C)c(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000002714831 554300366 /nfs/dbraw/zinc/30/03/66/554300366.db2.gz UBHWVHQAFWFHGY-UHFFFAOYSA-N 1 1 459.597 6.031 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002714703 554300379 /nfs/dbraw/zinc/30/03/79/554300379.db2.gz FOBCWNVVGFUTGM-UHFFFAOYSA-N 1 1 474.608 6.555 50 0 JKAAMO Clc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002714610 554300404 /nfs/dbraw/zinc/30/04/04/554300404.db2.gz KJMAVHBEKKMINA-UHFFFAOYSA-N 1 1 459.380 7.049 50 0 JKAAMO Fc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000002714659 554300465 /nfs/dbraw/zinc/30/04/65/554300465.db2.gz XCRDOLWFWQJRSV-UHFFFAOYSA-N 1 1 483.978 6.207 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)cc1 ZINC000002714706 554300470 /nfs/dbraw/zinc/30/04/70/554300470.db2.gz GTLQWVNMAPKHSG-UHFFFAOYSA-N 1 1 454.961 6.404 50 0 JKAAMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 ZINC000002715079 554300705 /nfs/dbraw/zinc/30/07/05/554300705.db2.gz BPZAMYINPAWOPS-QZTJIDSGSA-N 1 1 461.407 6.332 50 0 JKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC(C)(C)C1 ZINC000002715033 554300783 /nfs/dbraw/zinc/30/07/83/554300783.db2.gz DXEFNPCYGZGXET-RXVVDRJESA-N 1 1 489.461 7.477 50 0 JKAAMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(F)F ZINC000003365972 554459155 /nfs/dbraw/zinc/45/91/55/554459155.db2.gz FHPMXPBEPCULGG-HSZRJFAPSA-N 1 1 485.571 5.494 50 0 JKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2ccco2)C[C@@H](C(C)(C)C)CC3)c(C)c1 ZINC000008396649 554571515 /nfs/dbraw/zinc/57/15/15/554571515.db2.gz WBKYUVIYUCXRAE-IBGZPJMESA-N 1 1 493.673 6.090 50 0 JKAAMO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398725 554573707 /nfs/dbraw/zinc/57/37/07/554573707.db2.gz QMYJRGWDZJUCJC-RZIGYZOXSA-N 1 1 452.639 5.032 50 0 JKAAMO COc1cc(CNc2ccc([NH+]3CCCCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008442394 554591889 /nfs/dbraw/zinc/59/18/89/554591889.db2.gz HHSVKKUQYMXVNZ-UHFFFAOYSA-N 1 1 454.973 6.669 50 0 JKAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)cc1OC ZINC000008583448 554601283 /nfs/dbraw/zinc/60/12/83/554601283.db2.gz POXZVNNFOAVHQN-UHFFFAOYSA-N 1 1 484.600 5.248 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008583382 554601302 /nfs/dbraw/zinc/60/13/02/554601302.db2.gz DQMHAAUMURCDSO-GOSISDBHSA-N 1 1 454.039 6.034 50 0 JKAAMO Clc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000008764047 554664596 /nfs/dbraw/zinc/66/45/96/554664596.db2.gz FBNVRFKXUDLODU-UHFFFAOYSA-N 1 1 464.978 5.063 50 0 JKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(Nc2ccccc2)nc2ccccc21)Cc1ccccc1 ZINC000008813137 554695300 /nfs/dbraw/zinc/69/53/00/554695300.db2.gz VXABHMRJKDENCY-UHFFFAOYSA-N 1 1 466.629 6.401 50 0 JKAAMO CC1=Nc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000008813228 554695318 /nfs/dbraw/zinc/69/53/18/554695318.db2.gz AIVWUXMQXXGXJM-UHFFFAOYSA-N 1 1 450.007 5.807 50 0 JKAAMO O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008874905 554770902 /nfs/dbraw/zinc/77/09/02/554770902.db2.gz FNIPDVZRPGGCAI-HHHXNRCGSA-N 1 1 481.621 5.740 50 0 JKAAMO O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008874905 554770903 /nfs/dbraw/zinc/77/09/03/554770903.db2.gz FNIPDVZRPGGCAI-HHHXNRCGSA-N 1 1 481.621 5.740 50 0 JKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911871 554801218 /nfs/dbraw/zinc/80/12/18/554801218.db2.gz CILFLTMCNNWMSU-RUZDIDTESA-N 1 1 499.684 5.294 50 0 JKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)cn21 ZINC000008911912 554801378 /nfs/dbraw/zinc/80/13/78/554801378.db2.gz YAICVEBJLPOROU-UHFFFAOYSA-N 1 1 464.635 5.467 50 0 JKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911936 554801412 /nfs/dbraw/zinc/80/14/12/554801412.db2.gz NTEKXBYXGLDZIF-VWLOTQADSA-N 1 1 499.684 5.294 50 0 JKAAMO CC[N@@H+](CCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)Cc1ccccc1 ZINC000008912718 554803272 /nfs/dbraw/zinc/80/32/72/554803272.db2.gz BOSUDCIIOQGFSN-UHFFFAOYSA-N 1 1 450.652 5.175 50 0 JKAAMO Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008917524 554812536 /nfs/dbraw/zinc/81/25/36/554812536.db2.gz IDHKUXPOUZNTLL-PXDATVDWSA-N 1 1 454.526 5.077 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008917520 554812558 /nfs/dbraw/zinc/81/25/58/554812558.db2.gz WSSIJEFYACYBJC-HYBUGGRVSA-N 1 1 474.944 5.422 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008917519 554812567 /nfs/dbraw/zinc/81/25/67/554812567.db2.gz WSSIJEFYACYBJC-RDPSFJRHSA-N 1 1 474.944 5.422 50 0 JKAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008917521 554812637 /nfs/dbraw/zinc/81/26/37/554812637.db2.gz WSSIJEFYACYBJC-YKSBVNFPSA-N 1 1 474.944 5.422 50 0 JKAAMO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008917525 554812818 /nfs/dbraw/zinc/81/28/18/554812818.db2.gz IDHKUXPOUZNTLL-BWKNWUBXSA-N 1 1 454.526 5.077 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008922881 554819954 /nfs/dbraw/zinc/81/99/54/554819954.db2.gz GWJGLKMMDJLKJA-HXUWFJFHSA-N 1 1 462.402 6.510 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008922868 554819996 /nfs/dbraw/zinc/81/99/96/554819996.db2.gz MWTLTDDGCBTCIT-UPWIVDSGSA-N 1 1 463.559 5.155 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008923120 554820396 /nfs/dbraw/zinc/82/03/96/554820396.db2.gz SHDMBBYBIHAJNF-QHCPKHFHSA-N 1 1 468.022 6.176 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000008923469 554820586 /nfs/dbraw/zinc/82/05/86/554820586.db2.gz UCYOKFYGUZOXBZ-QFIPXVFZSA-N 1 1 482.005 5.816 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008923480 554820643 /nfs/dbraw/zinc/82/06/43/554820643.db2.gz PENHTNCABBXZHG-HXUWFJFHSA-N 1 1 462.402 6.510 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923415 554820691 /nfs/dbraw/zinc/82/06/91/554820691.db2.gz ACPAXFXCAQQBHA-JOCHJYFZSA-N 1 1 497.642 5.623 50 0 JKAAMO CCOCC1=C(c2ccccc2)[N@H+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000008926048 554822354 /nfs/dbraw/zinc/82/23/54/554822354.db2.gz WJXGFINEXFJDLP-VEEOACQBSA-N 1 1 479.664 7.365 50 0 JKAAMO CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc([NH+]2CCC(C)CC2)cc1)CO3 ZINC000009059706 554878434 /nfs/dbraw/zinc/87/84/34/554878434.db2.gz BDAHMRRVXNKTLI-UHFFFAOYSA-N 1 1 490.600 5.190 50 0 JKAAMO Cc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000009076026 554887149 /nfs/dbraw/zinc/88/71/49/554887149.db2.gz CVXLMFCXTSELCS-ZYTZQALASA-N 1 1 497.614 7.014 50 0 JKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)cc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000009090463 554891423 /nfs/dbraw/zinc/89/14/23/554891423.db2.gz UFRONSXNRXRQQO-MGBGTMOVSA-N 1 1 457.602 8.090 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccccc1 ZINC000009152953 554941733 /nfs/dbraw/zinc/94/17/33/554941733.db2.gz JRNAQSLSZIRCSX-UHFFFAOYSA-N 1 1 479.068 5.960 50 0 JKAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186433 554958810 /nfs/dbraw/zinc/95/88/10/554958810.db2.gz LIEPOPJIKJBLKK-ZPJFYFFZSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186433 554958813 /nfs/dbraw/zinc/95/88/13/554958813.db2.gz LIEPOPJIKJBLKK-ZPJFYFFZSA-N 1 1 474.601 5.251 50 0 biogenic,in-vitro JKAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000009229122 555003239 /nfs/dbraw/zinc/00/32/39/555003239.db2.gz SYXKAEZNEBXLDT-LJQANCHMSA-N 1 1 452.042 5.954 50 0 JKAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000009229121 555003278 /nfs/dbraw/zinc/00/32/78/555003278.db2.gz SYXKAEZNEBXLDT-IBGZPJMESA-N 1 1 452.042 5.954 50 0 JKAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000009229129 555003336 /nfs/dbraw/zinc/00/33/36/555003336.db2.gz SRNJFPDMKZWBAR-UHFFFAOYSA-N 1 1 486.059 6.138 50 0 JKAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1CCc3ccccc3C1)c2Sc1ccccc1 ZINC000009288392 555062131 /nfs/dbraw/zinc/06/21/31/555062131.db2.gz RXQRTWKODVKZJA-UHFFFAOYSA-N 1 1 471.626 5.506 50 0 JKAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292278 555067333 /nfs/dbraw/zinc/06/73/33/555067333.db2.gz ACCAQFZQTRYVJT-VSGBNLITSA-N 1 1 480.568 5.631 50 0 JKAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009311079 555087257 /nfs/dbraw/zinc/08/72/57/555087257.db2.gz IZLSVFZDYRUMLA-AREMUKBSSA-N 1 1 457.577 6.695 50 0 JKAAMO COc1ccc([C@H]([NH2+]CC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000009334954 555102255 /nfs/dbraw/zinc/10/22/55/555102255.db2.gz RKZLOOJIGRCSPB-JBBQQGGESA-N 1 1 479.592 6.320 50 0 JKAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2)cc1OC ZINC000009345744 555111962 /nfs/dbraw/zinc/11/19/62/555111962.db2.gz CDOZLJFKSMXDKR-WUFINQPMSA-N 1 1 496.567 5.215 50 0 JKAAMO CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009346352 555113324 /nfs/dbraw/zinc/11/33/24/555113324.db2.gz PMBCFHZWFVFZTG-NSOVKSMOSA-N 1 1 496.567 5.215 50 0 JKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406590 555167112 /nfs/dbraw/zinc/16/71/12/555167112.db2.gz YALHOXCNWFEWMO-UHFFFAOYSA-N 1 1 484.600 5.533 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406586 555167154 /nfs/dbraw/zinc/16/71/54/555167154.db2.gz NRSZQZBDFKMGGZ-HDICACEKSA-N 1 1 464.610 5.738 50 0 JKAAMO O=S(=O)(NC[C@H](c1ccccc1)[N@H+](Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1 ZINC000009408714 555171595 /nfs/dbraw/zinc/17/15/95/555171595.db2.gz HIGLTMVUBURYRQ-XMMPIXPASA-N 1 1 459.011 5.397 50 0 JKAAMO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1 ZINC000009408714 555171597 /nfs/dbraw/zinc/17/15/97/555171597.db2.gz HIGLTMVUBURYRQ-XMMPIXPASA-N 1 1 459.011 5.397 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000009408663 555171616 /nfs/dbraw/zinc/17/16/16/555171616.db2.gz OGGUJTFCXCAXFD-SANMLTNESA-N 1 1 468.597 5.248 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000009408663 555171618 /nfs/dbraw/zinc/17/16/18/555171618.db2.gz OGGUJTFCXCAXFD-SANMLTNESA-N 1 1 468.597 5.248 50 0 JKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433046 555202884 /nfs/dbraw/zinc/20/28/84/555202884.db2.gz NKHANABDLBUCCV-SXOMAYOGSA-N 1 1 489.685 5.323 50 0 JKAAMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009481309 555261065 /nfs/dbraw/zinc/26/10/65/555261065.db2.gz HBBQJNOEXINCMY-INIZCTEOSA-N 1 1 450.633 5.305 50 0 JKAAMO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000009531053 555325679 /nfs/dbraw/zinc/32/56/79/555325679.db2.gz ZPJTXWORQCVDES-QFIPXVFZSA-N 1 1 453.590 5.172 50 0 JKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000009531069 555325718 /nfs/dbraw/zinc/32/57/18/555325718.db2.gz QQYHWTJWGJHIMB-UHFFFAOYSA-N 1 1 461.569 5.423 50 0 JKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000009531118 555325902 /nfs/dbraw/zinc/32/59/02/555325902.db2.gz QAGLHTCNSFELKC-QHCPKHFHSA-N 1 1 489.623 6.120 50 0 JKAAMO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000009633545 555337127 /nfs/dbraw/zinc/33/71/27/555337127.db2.gz ZLASIHBBKWEOMA-UHFFFAOYSA-N 1 1 457.496 5.010 50 0 JKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000009546381 555341571 /nfs/dbraw/zinc/34/15/71/555341571.db2.gz QRJLVXBTVLNUTF-KDURUIRLSA-N 1 1 451.611 5.908 50 0 JKAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+]3CCCC[C@@H]3C)cc21 ZINC000009546409 555341674 /nfs/dbraw/zinc/34/16/74/555341674.db2.gz MTJUAQXHZQBOCH-NZQKXSOJSA-N 1 1 464.606 5.038 50 0 JKAAMO CC(C)[N@@H+](CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369099 555390865 /nfs/dbraw/zinc/39/08/65/555390865.db2.gz HNWVCYNIVKGWDG-UHFFFAOYSA-N 1 1 475.036 5.774 50 0 JKAAMO C[C@H](C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369298 555391009 /nfs/dbraw/zinc/39/10/09/555391009.db2.gz LSIWKYXVFVLBMW-HSALFYBXSA-N 1 1 453.030 5.687 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369267 555391146 /nfs/dbraw/zinc/39/11/46/555391146.db2.gz ADHVRVGKBCKWRB-KNQAVFIVSA-N 1 1 453.030 5.689 50 0 JKAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369338 555391152 /nfs/dbraw/zinc/39/11/52/555391152.db2.gz YLJQQPUDAVKPNP-FQEVSTJZSA-N 1 1 458.993 5.262 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000009598002 555415453 /nfs/dbraw/zinc/41/54/53/555415453.db2.gz RQQMKYGKHAFSFO-DEOSSOPVSA-N 1 1 493.696 5.023 50 0 JKAAMO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)sc21 ZINC000009722293 555453871 /nfs/dbraw/zinc/45/38/71/555453871.db2.gz HXVOEFAPYCQATH-UHFFFAOYSA-N 1 1 453.011 5.207 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000009731898 555469213 /nfs/dbraw/zinc/46/92/13/555469213.db2.gz FURPRNVHUNFUFJ-IBGZPJMESA-N 1 1 458.389 5.485 50 0 JKAAMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 ZINC000013534388 555488383 /nfs/dbraw/zinc/48/83/83/555488383.db2.gz YJGPWNCHDJDGJR-UHFFFAOYSA-N 1 1 483.443 5.388 50 0 JKAAMO CCCCc1nc2ccccc2c(NC(=O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1CCC ZINC000013550838 555491628 /nfs/dbraw/zinc/49/16/28/555491628.db2.gz HTDBFMNSYUMBNW-UHFFFAOYSA-N 1 1 477.649 5.660 50 0 JKAAMO CCCCc1nc2ccccc2c(NC(=O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1CCC ZINC000013550838 555491629 /nfs/dbraw/zinc/49/16/29/555491629.db2.gz HTDBFMNSYUMBNW-UHFFFAOYSA-N 1 1 477.649 5.660 50 0 JKAAMO O=C(c1csc(-c2ccc3c(c2)CCO3)n1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835187 555506718 /nfs/dbraw/zinc/50/67/18/555506718.db2.gz IAUSGBANKXVJOQ-UHFFFAOYSA-N 1 1 479.605 5.273 50 0 JKAAMO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019841035 555509040 /nfs/dbraw/zinc/50/90/40/555509040.db2.gz KZVVUTDPSAMWCZ-UHFFFAOYSA-N 1 1 479.649 6.583 50 0 JKAAMO CC(C)c1cc(CN2CC[NH+](Cc3cc(C(C)C)c(O)c(C(C)C)c3)CC2)cc(C(C)C)c1O ZINC000019857251 555518551 /nfs/dbraw/zinc/51/85/51/555518551.db2.gz XDUJNSLYZHZSFO-UHFFFAOYSA-N 1 1 466.710 6.909 50 0 JKAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019880228 555525511 /nfs/dbraw/zinc/52/55/11/555525511.db2.gz YXZSMNSRFVTULR-UHFFFAOYSA-N 1 1 453.464 5.505 50 0 JKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ccc21 ZINC000019889214 555528786 /nfs/dbraw/zinc/52/87/86/555528786.db2.gz QXLWCUZWUSCNGE-UHFFFAOYSA-N 1 1 461.993 5.191 50 0 JKAAMO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019902126 555535852 /nfs/dbraw/zinc/53/58/52/555535852.db2.gz WHYMYEAVLDJZII-UHFFFAOYSA-N 1 1 457.961 5.542 50 0 JKAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019907461 555536147 /nfs/dbraw/zinc/53/61/47/555536147.db2.gz HJLNMDZFBFBUFS-UHFFFAOYSA-N 1 1 471.988 5.851 50 0 JKAAMO Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2ccco2)C[C@H](C(C)(C)C)CC3)c1 ZINC000019908532 555536452 /nfs/dbraw/zinc/53/64/52/555536452.db2.gz ZAEZIVBCGWJQNC-GOSISDBHSA-N 1 1 479.646 5.781 50 0 JKAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000013640566 555547162 /nfs/dbraw/zinc/54/71/62/555547162.db2.gz ZCXZVULYJXSSTC-IEBWSBKVSA-N 1 1 472.496 5.351 50 0 JKAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000019938649 555557208 /nfs/dbraw/zinc/55/72/08/555557208.db2.gz DVZXJKJXNGYGIS-UHFFFAOYSA-N 1 1 450.586 5.037 50 0 JKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](CCC)C3 ZINC000019940194 555558250 /nfs/dbraw/zinc/55/82/50/555558250.db2.gz AEWPCXLFUZLSOD-UHFFFAOYSA-N 1 1 455.693 6.196 50 0 JKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](CCC)C3 ZINC000019940194 555558252 /nfs/dbraw/zinc/55/82/52/555558252.db2.gz AEWPCXLFUZLSOD-UHFFFAOYSA-N 1 1 455.693 6.196 50 0 JKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2-c2nc3ccccc3s2)C1 ZINC000019942332 555561167 /nfs/dbraw/zinc/56/11/67/555561167.db2.gz HPOGJPOPQGTCBC-UHFFFAOYSA-N 1 1 455.608 6.418 50 0 JKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2-c2nc3ccccc3s2)C1 ZINC000019942332 555561170 /nfs/dbraw/zinc/56/11/70/555561170.db2.gz HPOGJPOPQGTCBC-UHFFFAOYSA-N 1 1 455.608 6.418 50 0 JKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc(OC)cc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019947326 555563845 /nfs/dbraw/zinc/56/38/45/555563845.db2.gz CNZMKUUTUZAQIC-UHFFFAOYSA-N 1 1 491.682 5.825 50 0 JKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc(OC)cc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019947326 555563849 /nfs/dbraw/zinc/56/38/49/555563849.db2.gz CNZMKUUTUZAQIC-UHFFFAOYSA-N 1 1 491.682 5.825 50 0 JKAAMO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019953253 555569676 /nfs/dbraw/zinc/56/96/76/555569676.db2.gz MZIIOMAILDCYOT-UHFFFAOYSA-N 1 1 497.620 5.298 50 0 JKAAMO CC[NH+]1CCN(c2nc(SC)nc3c4c5c(c(-c6ccccc6)nc4sc32)CCC5)CC1 ZINC000013758416 555611609 /nfs/dbraw/zinc/61/16/09/555611609.db2.gz DPHOBUZMRMUHIE-UHFFFAOYSA-N 1 1 461.660 5.259 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000013776657 555616688 /nfs/dbraw/zinc/61/66/88/555616688.db2.gz PFLHLGZYSZANII-SUHSUELASA-N 1 1 474.601 5.164 50 0 JKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000013776657 555616689 /nfs/dbraw/zinc/61/66/89/555616689.db2.gz PFLHLGZYSZANII-SUHSUELASA-N 1 1 474.601 5.164 50 0 JKAAMO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN([C@@H]3CCCC[C@@H]3OC)CC2)c2ccccc2)cc1 ZINC000020058879 555622216 /nfs/dbraw/zinc/62/22/16/555622216.db2.gz FDLGLXYCHXTXKQ-VKONIRKNSA-N 1 1 494.720 5.432 50 0 JKAAMO CSc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000013811032 555626796 /nfs/dbraw/zinc/62/67/96/555626796.db2.gz YGMRUBDKZBFDMU-DNQXCXABSA-N 1 1 476.964 6.005 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2OC)cc1 ZINC000013811363 555627838 /nfs/dbraw/zinc/62/78/38/555627838.db2.gz MNMFHRVDERAKQB-DQEYMECFSA-N 1 1 472.932 5.161 50 0 JKAAMO C[C@H]1CCC[N@@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107696 555641770 /nfs/dbraw/zinc/64/17/70/555641770.db2.gz YDHJARUXQBASTH-QFIPXVFZSA-N 1 1 479.715 6.861 50 0 JKAAMO COc1ccc(Cl)cc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000020107766 555641834 /nfs/dbraw/zinc/64/18/34/555641834.db2.gz OMBJEUIRKLNLOG-QGZVFWFLSA-N 1 1 452.089 5.731 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107715 555641858 /nfs/dbraw/zinc/64/18/58/555641858.db2.gz JWIPKHKCEOUZQS-JOCHJYFZSA-N 1 1 463.647 6.393 50 0 JKAAMO C[C@@H]1CCC[N@@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107694 555641913 /nfs/dbraw/zinc/64/19/13/555641913.db2.gz YDHJARUXQBASTH-JOCHJYFZSA-N 1 1 479.715 6.861 50 0 JKAAMO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013895685 555643104 /nfs/dbraw/zinc/64/31/04/555643104.db2.gz PASBAGMSGVZFFY-UHFFFAOYSA-N 1 1 467.613 5.560 50 0 JKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000010276202 555670926 /nfs/dbraw/zinc/67/09/26/555670926.db2.gz WYYQSFZYVIZXJG-HHHXNRCGSA-N 1 1 471.601 5.099 50 0 JKAAMO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)sc2c1CCCCC2 ZINC000020168333 555678939 /nfs/dbraw/zinc/67/89/39/555678939.db2.gz LOZUMLCWROBJKF-UHFFFAOYSA-N 1 1 454.636 5.087 50 0 JKAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000014077444 555680797 /nfs/dbraw/zinc/68/07/97/555680797.db2.gz GMRIPPMWMKOYPW-UHFFFAOYSA-N 1 1 465.553 5.265 50 0 JKAAMO CC1=Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2Sc2ccc(Cl)cc21 ZINC000020178888 555684362 /nfs/dbraw/zinc/68/43/62/555684362.db2.gz OUEXRCHVUJDESO-UHFFFAOYSA-N 1 1 456.055 6.330 50 0 JKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000020179970 555686110 /nfs/dbraw/zinc/68/61/10/555686110.db2.gz SKGLJMQUKPTMGO-SMTYBQBFSA-N 1 1 481.637 5.033 50 0 JKAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccc(C(=O)N4CCCCC4)cc3)c2c1C ZINC000014094246 555686245 /nfs/dbraw/zinc/68/62/45/555686245.db2.gz OMAZAQZVBBUNNV-UHFFFAOYSA-N 1 1 463.651 5.142 50 0 JKAAMO CCCC[N@@H+](C)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181101 555687910 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/nfs/dbraw/zinc/69/63/81/555696381.db2.gz PGMGWQIOQITYBL-JOCHJYFZSA-N 1 1 477.637 6.503 50 0 JKAAMO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000020204714 555696444 /nfs/dbraw/zinc/69/64/44/555696444.db2.gz PGMGWQIOQITYBL-QFIPXVFZSA-N 1 1 477.637 6.503 50 0 JKAAMO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)n(-c2ccccc2)n1 ZINC000014125825 555696755 /nfs/dbraw/zinc/69/67/55/555696755.db2.gz KEXNDWAHSQIEPA-UHFFFAOYSA-N 1 1 457.578 5.129 50 0 JKAAMO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2ccccc2Br)c2ccccc2)cc1 ZINC000014138665 555705059 /nfs/dbraw/zinc/70/50/59/555705059.db2.gz RICLYWOPPCNCEX-XDHUDOTRSA-N 1 1 453.380 5.014 50 0 JKAAMO COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2ccccc2Br)c2ccccc2)cc1 ZINC000014138666 555705082 /nfs/dbraw/zinc/70/50/82/555705082.db2.gz RICLYWOPPCNCEX-BXKMTCNYSA-N 1 1 453.380 5.014 50 0 JKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020212678 555705887 /nfs/dbraw/zinc/70/58/87/555705887.db2.gz PMOPVMOPDSWQJG-UHFFFAOYSA-N 1 1 484.043 6.384 50 0 JKAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214696 555710747 /nfs/dbraw/zinc/71/07/47/555710747.db2.gz CFAFSCRUCHNSQL-SANMLTNESA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214696 555710749 /nfs/dbraw/zinc/71/07/49/555710749.db2.gz CFAFSCRUCHNSQL-SANMLTNESA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214696 555710751 /nfs/dbraw/zinc/71/07/51/555710751.db2.gz CFAFSCRUCHNSQL-SANMLTNESA-N 1 1 495.620 5.073 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214696 555710753 /nfs/dbraw/zinc/71/07/53/555710753.db2.gz CFAFSCRUCHNSQL-SANMLTNESA-N 1 1 495.620 5.073 50 0 JKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000020240833 555736126 /nfs/dbraw/zinc/73/61/26/555736126.db2.gz HWCZENBNMBTAKS-QFIPXVFZSA-N 1 1 451.998 5.183 50 0 JKAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C(=O)NCCCSC2CCCCC2)C1 ZINC000020240913 555736570 /nfs/dbraw/zinc/73/65/70/555736570.db2.gz XUSHOEPIPIIBMM-QFIPXVFZSA-N 1 1 469.695 5.743 50 0 JKAAMO CCCCSCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020240944 555736581 /nfs/dbraw/zinc/73/65/81/555736581.db2.gz MZFZNOPAUPLXEC-HSZRJFAPSA-N 1 1 457.684 5.464 50 0 JKAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000020282916 555752854 /nfs/dbraw/zinc/75/28/54/555752854.db2.gz DCZPOMFKDUMAOV-UHFFFAOYSA-N 1 1 495.671 5.240 50 0 JKAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011088036 555758821 /nfs/dbraw/zinc/75/88/21/555758821.db2.gz OOASGONSSNTNQO-GOSISDBHSA-N 1 1 480.406 5.641 50 0 JKAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011088036 555758823 /nfs/dbraw/zinc/75/88/23/555758823.db2.gz OOASGONSSNTNQO-GOSISDBHSA-N 1 1 480.406 5.641 50 0 JKAAMO O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347272 555779671 /nfs/dbraw/zinc/77/96/71/555779671.db2.gz JNPPJZFENAUVGW-UHFFFAOYSA-N 1 1 490.607 5.878 50 0 JKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3NC2=O)cc1 ZINC000020355332 555782988 /nfs/dbraw/zinc/78/29/88/555782988.db2.gz GZSYNOOTEBZBBO-KOEQRZSOSA-N 1 1 463.647 5.465 50 0 JKAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2Cl)CC1 ZINC000014291071 555792249 /nfs/dbraw/zinc/79/22/49/555792249.db2.gz WZCVWSOBVBPMBP-UHFFFAOYSA-N 1 1 473.960 5.118 50 0 JKAAMO CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532137 555799954 /nfs/dbraw/zinc/79/99/54/555799954.db2.gz DXFCFIHSYIARER-LPOHCXMGSA-N 1 1 452.668 5.246 50 0 JKAAMO CCOC(=O)c1c(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)sc2c1CCCC2 ZINC000020532118 555799967 /nfs/dbraw/zinc/79/99/67/555799967.db2.gz BMUSBBAXQRVKBE-IBGZPJMESA-N 1 1 481.662 5.106 50 0 JKAAMO CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532138 555799997 /nfs/dbraw/zinc/79/99/97/555799997.db2.gz DXFCFIHSYIARER-IMBGCFGXSA-N 1 1 452.668 5.246 50 0 JKAAMO CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532129 555800023 /nfs/dbraw/zinc/80/00/23/555800023.db2.gz NDLIUKAURBQSAF-QGZVFWFLSA-N 1 1 489.041 5.470 50 0 JKAAMO COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020532164 555800479 /nfs/dbraw/zinc/80/04/79/555800479.db2.gz MAOCLLKCDGFUIZ-JOCHJYFZSA-N 1 1 466.651 5.834 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCc2ccccc2)C1 ZINC000020532202 555801023 /nfs/dbraw/zinc/80/10/23/555801023.db2.gz AKIKVGYDLJAEFX-QHCPKHFHSA-N 1 1 464.679 5.894 50 0 JKAAMO CC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532221 555801202 /nfs/dbraw/zinc/80/12/02/555801202.db2.gz GOIGSODDLYIRCB-OAQYLSRUSA-N 1 1 468.623 5.207 50 0 JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000020532228 555801363 /nfs/dbraw/zinc/80/13/63/555801363.db2.gz WVECSKHINVWQHB-HNNXBMFYSA-N 1 1 459.015 5.462 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000020560141 555810631 /nfs/dbraw/zinc/81/06/31/555810631.db2.gz GSGIDHOMUJIZLU-UHFFFAOYSA-N 1 1 497.664 6.209 50 0 JKAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(OCc3ccccc3)c1)CCO2 ZINC000011787148 555820900 /nfs/dbraw/zinc/82/09/00/555820900.db2.gz FEEJENDUEHBAMT-GDLZYMKVSA-N 1 1 452.554 5.137 50 0 JKAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cccc(OCc3ccccc3)c1)CCO2 ZINC000011787148 555820903 /nfs/dbraw/zinc/82/09/03/555820903.db2.gz FEEJENDUEHBAMT-GDLZYMKVSA-N 1 1 452.554 5.137 50 0 JKAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C[N@H+]3CCc4ccccc4C3)cc1)CCC2 ZINC000020567859 555821083 /nfs/dbraw/zinc/82/10/83/555821083.db2.gz LLBIJEDTBJMZRL-UHFFFAOYSA-N 1 1 460.599 5.224 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)ccc2c1NC(=O)c1ccccc1 ZINC000011790527 555826597 /nfs/dbraw/zinc/82/65/97/555826597.db2.gz LTGFTJPLPKTBER-QFIPXVFZSA-N 1 1 486.597 5.457 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)ccc2c1NC(=O)c1ccccc1 ZINC000011790527 555826598 /nfs/dbraw/zinc/82/65/98/555826598.db2.gz LTGFTJPLPKTBER-QFIPXVFZSA-N 1 1 486.597 5.457 50 0 JKAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)c1-c1ccc(Br)cc1 ZINC000020592287 555838731 /nfs/dbraw/zinc/83/87/31/555838731.db2.gz XZBYBOWERCLKQH-HZPDHXFCSA-N 1 1 486.410 5.008 50 0 JKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc12 ZINC000020597575 555839413 /nfs/dbraw/zinc/83/94/13/555839413.db2.gz KSBKDPIOZHKUFT-UHFFFAOYSA-N 1 1 494.683 5.244 50 0 JKAAMO Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3cc4ccccc4s3)[N@H+](CC3CCCCC3)C2)n1 ZINC000011881120 555849327 /nfs/dbraw/zinc/84/93/27/555849327.db2.gz OYXSNBFFGKOURS-RPWUZVMVSA-N 1 1 494.730 5.774 50 0 JKAAMO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021298664 555850545 /nfs/dbraw/zinc/85/05/45/555850545.db2.gz SOINFKPHYZIDPV-UHFFFAOYSA-N 1 1 486.015 5.861 50 0 JKAAMO CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000011882551 555851290 /nfs/dbraw/zinc/85/12/90/555851290.db2.gz KVXQFUQIOUOIJC-UHFFFAOYSA-N 1 1 464.587 5.736 50 0 JKAAMO CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000011882551 555851291 /nfs/dbraw/zinc/85/12/91/555851291.db2.gz KVXQFUQIOUOIJC-UHFFFAOYSA-N 1 1 464.587 5.736 50 0 JKAAMO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+](Cc2nc(-c4ccccc4)cs2)CC3)cc1 ZINC000015008204 555852474 /nfs/dbraw/zinc/85/24/74/555852474.db2.gz GYXUVSNENSEHSW-DEOSSOPVSA-N 1 1 475.658 5.258 50 0 JKAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021795597 555856385 /nfs/dbraw/zinc/85/63/85/555856385.db2.gz RKOILFLSEYFSFL-UHFFFAOYSA-N 1 1 472.471 5.028 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccco3)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000011912406 555861025 /nfs/dbraw/zinc/86/10/25/555861025.db2.gz FPUDOPPGQQJTBW-UHFFFAOYSA-N 1 1 463.559 5.177 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccco3)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000011912406 555861027 /nfs/dbraw/zinc/86/10/27/555861027.db2.gz FPUDOPPGQQJTBW-UHFFFAOYSA-N 1 1 463.559 5.177 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1ccc(C)cc1 ZINC000015067599 555867478 /nfs/dbraw/zinc/86/74/78/555867478.db2.gz LRTGZLMOULTZMX-INIZCTEOSA-N 1 1 479.627 5.898 50 0 JKAAMO C[N@@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999373 555882076 /nfs/dbraw/zinc/88/20/76/555882076.db2.gz XMSBBYJAUMXDQB-DEOSSOPVSA-N 1 1 468.597 5.996 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000015276454 555892041 /nfs/dbraw/zinc/89/20/41/555892041.db2.gz HXNGFYZLCLPCNU-BVAGGSTKSA-N 1 1 466.585 5.485 50 0 biogenic,in-vitro JKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000015276453 555892071 /nfs/dbraw/zinc/89/20/71/555892071.db2.gz HXNGFYZLCLPCNU-OZXSUGGESA-N 1 1 466.585 5.485 50 0 biogenic,in-vitro JKAAMO O=C(c1ccco1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2F)CC1)C1CC1 ZINC000012051867 555896401 /nfs/dbraw/zinc/89/64/01/555896401.db2.gz RASRVHGJSCMJDW-SANMLTNESA-N 1 1 464.556 5.686 50 0 JKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000015319756 555897534 /nfs/dbraw/zinc/89/75/34/555897534.db2.gz PMRMMWVUQKTXJX-UZLBHIALSA-N 1 1 492.929 5.490 50 0 JKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccnc2)C3)C1 ZINC000012097154 555904476 /nfs/dbraw/zinc/90/44/76/555904476.db2.gz WYTQCLIBVFXFQD-HXUWFJFHSA-N 1 1 492.019 5.157 50 0 JKAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccsc2)C1 ZINC000012099503 555906789 /nfs/dbraw/zinc/90/67/89/555906789.db2.gz NENUIJRJMPPSHP-FQEVSTJZSA-N 1 1 492.641 5.413 50 0 JKAAMO c1sc2nc(-c3ccccn3)nc(N3CC[NH+](Cc4cccnc4)CC3)c2c1-c1ccccc1 ZINC000022317721 555920993 /nfs/dbraw/zinc/92/09/93/555920993.db2.gz GZSVJVWVJWREET-UHFFFAOYSA-N 1 1 464.598 5.138 50 0 JKAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671349 555928233 /nfs/dbraw/zinc/92/82/33/555928233.db2.gz VLPMLPDOKKFNBN-UHFFFAOYSA-N 1 1 465.623 5.245 50 0 JKAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000012157836 555929313 /nfs/dbraw/zinc/92/93/13/555929313.db2.gz AGPSQIUFHFOWSB-OXIKZWMZSA-N 1 1 485.676 5.374 50 0 JKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccncc1 ZINC000012167560 555933391 /nfs/dbraw/zinc/93/33/91/555933391.db2.gz AOIYZTMGLWBVNY-NRFANRHFSA-N 1 1 471.626 5.698 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675643 555934245 /nfs/dbraw/zinc/93/42/45/555934245.db2.gz USBLMRWLZXNQLB-IADCTJSHSA-N 1 1 496.696 5.333 50 0 JKAAMO COC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccccc1Cl ZINC000012242950 555946126 /nfs/dbraw/zinc/94/61/26/555946126.db2.gz CDSBIUDMFPPPGC-CQSZACIVSA-N 1 1 457.983 5.221 50 0 JKAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000015681421 555950346 /nfs/dbraw/zinc/95/03/46/555950346.db2.gz NLRYOXAAWSCHLQ-UHFFFAOYSA-N 1 1 469.633 5.310 50 0 JKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)nc1CSc1ccccc1 ZINC000015682256 555951778 /nfs/dbraw/zinc/95/17/78/555951778.db2.gz XKMNOQMBMAPTML-OYRHEFFESA-N 1 1 477.674 6.325 50 0 JKAAMO CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(N(CC)CC)[nH+]1 ZINC000012369301 555961280 /nfs/dbraw/zinc/96/12/80/555961280.db2.gz JHVYMVYUOUKXRA-UHFFFAOYSA-N 1 1 490.435 6.297 50 0 JKAAMO O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022889664 555963867 /nfs/dbraw/zinc/96/38/67/555963867.db2.gz BAHCIAUDOSADJG-UHFFFAOYSA-N 1 1 474.564 5.515 50 0 JKAAMO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022917876 555971869 /nfs/dbraw/zinc/97/18/69/555971869.db2.gz UEMSMUFEXGLCGM-DEOSSOPVSA-N 1 1 465.688 5.676 50 0 JKAAMO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)s1 ZINC000012455953 555981623 /nfs/dbraw/zinc/98/16/23/555981623.db2.gz XFGMOUCVJJRZOG-HSZRJFAPSA-N 1 1 463.647 5.057 50 0 JKAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022938275 555991377 /nfs/dbraw/zinc/99/13/77/555991377.db2.gz JOTVOXPRQGUELT-VWLOTQADSA-N 1 1 459.977 5.675 50 0 JKAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000022938244 555991428 /nfs/dbraw/zinc/99/14/28/555991428.db2.gz AMVKUBAHIDOCHT-HSZRJFAPSA-N 1 1 466.006 5.737 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000022938286 555991452 /nfs/dbraw/zinc/99/14/52/555991452.db2.gz HEMRHUQQRWHXDS-SANMLTNESA-N 1 1 490.003 5.038 50 0 JKAAMO CC[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(C)cc2)CC1 ZINC000022938247 555991502 /nfs/dbraw/zinc/99/15/02/555991502.db2.gz WGMXPGZVVDZXST-VWLOTQADSA-N 1 1 459.615 5.782 50 0 JKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022938327 555991774 /nfs/dbraw/zinc/99/17/74/555991774.db2.gz VTCKBTKDHNRLFX-AREMUKBSSA-N 1 1 457.549 5.469 50 0 JKAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000012544352 556020431 /nfs/dbraw/zinc/02/04/31/556020431.db2.gz LHZJJKRCDQBVRW-UHFFFAOYSA-N 1 1 461.569 5.082 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)cc1Cl ZINC000023153886 556024802 /nfs/dbraw/zinc/02/48/02/556024802.db2.gz XEBKCEGPAGGIAS-UHFFFAOYSA-N 1 1 461.997 5.184 50 0 JKAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000012548936 556027942 /nfs/dbraw/zinc/02/79/42/556027942.db2.gz RPPJOGFGBDFIGR-DHZHZOJOSA-N 1 1 498.721 6.308 50 0 JKAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182402 556028708 /nfs/dbraw/zinc/02/87/08/556028708.db2.gz FWTFCZVDZKIDBR-NTKDMRAZSA-N 1 1 468.667 5.434 50 0 JKAAMO C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023182396 556028784 /nfs/dbraw/zinc/02/87/84/556028784.db2.gz LJUKHFNMUDXQPA-JPYJTQIMSA-N 1 1 454.640 5.126 50 0 JKAAMO C[C@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023182514 556028970 /nfs/dbraw/zinc/02/89/70/556028970.db2.gz RPBBDKIIFWELDS-GAJHUEQPSA-N 1 1 472.630 5.265 50 0 JKAAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023182496 556029153 /nfs/dbraw/zinc/02/91/53/556029153.db2.gz JDSSXESZIAALLY-CJFMBICVSA-N 1 1 482.694 5.742 50 0 JKAAMO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Br)cc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859342 556029401 /nfs/dbraw/zinc/02/94/01/556029401.db2.gz YGOUBXDQHIPAJP-QHCPKHFHSA-N 1 1 479.374 6.616 50 0 JKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860489 556031849 /nfs/dbraw/zinc/03/18/49/556031849.db2.gz VUBHCIBBYPRBIL-KRWDZBQOSA-N 1 1 451.419 6.313 50 0 JKAAMO Cc1oc(-c2cc(C)ccc2C)nc1C[N@H+]1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000015864834 556040793 /nfs/dbraw/zinc/04/07/93/556040793.db2.gz NSTLOZXLMKHIOX-MUUNZHRXSA-N 1 1 468.666 7.355 50 0 JKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(OC)c(OC)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864869 556040899 /nfs/dbraw/zinc/04/08/99/556040899.db2.gz YBMXGJFTUABKBS-HHHXNRCGSA-N 1 1 488.653 6.747 50 0 JKAAMO Cc1cc(Oc2nc(-c3ccccc3)nc3c4ccccc4oc32)c(C)cc1C[NH+]1CCOCC1 ZINC000015866584 556043635 /nfs/dbraw/zinc/04/36/35/556043635.db2.gz YGDHNQSPIDTIFE-UHFFFAOYSA-N 1 1 465.553 6.284 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334637 556044098 /nfs/dbraw/zinc/04/40/98/556044098.db2.gz GIYLLIDVDKLHRL-KRWDZBQOSA-N 1 1 471.432 6.045 50 0 JKAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334637 556044100 /nfs/dbraw/zinc/04/41/00/556044100.db2.gz GIYLLIDVDKLHRL-KRWDZBQOSA-N 1 1 471.432 6.045 50 0 JKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023334637 556044101 /nfs/dbraw/zinc/04/41/01/556044101.db2.gz GIYLLIDVDKLHRL-KRWDZBQOSA-N 1 1 471.432 6.045 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336277 556046161 /nfs/dbraw/zinc/04/61/61/556046161.db2.gz DUYJKUYYIJXJPP-HSZRJFAPSA-N 1 1 485.676 5.728 50 0 JKAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336277 556046164 /nfs/dbraw/zinc/04/61/64/556046164.db2.gz DUYJKUYYIJXJPP-HSZRJFAPSA-N 1 1 485.676 5.728 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023336277 556046165 /nfs/dbraw/zinc/04/61/65/556046165.db2.gz DUYJKUYYIJXJPP-HSZRJFAPSA-N 1 1 485.676 5.728 50 0 JKAAMO Cc1ccc(C(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=C(Cl)Cl)cc1F ZINC000012558474 556047812 /nfs/dbraw/zinc/04/78/12/556047812.db2.gz IJBLLOWRWHZLLH-UHFFFAOYSA-N 1 1 498.429 6.355 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000012561237 556054371 /nfs/dbraw/zinc/05/43/71/556054371.db2.gz IDHSWRAXURQYND-RBJSKKJNSA-N 1 1 451.545 5.797 50 0 JKAAMO O=C(CSc1ccc2ccccc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012563133 556058012 /nfs/dbraw/zinc/05/80/12/556058012.db2.gz RPVQHVPLKJSYDZ-UHFFFAOYSA-N 1 1 452.623 5.866 50 0 JKAAMO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023437148 556058605 /nfs/dbraw/zinc/05/86/05/556058605.db2.gz ZCZMKBFUJKPYDN-UHFFFAOYSA-N 1 1 451.397 5.639 50 0 JKAAMO CCCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3ccc(OC)c(OC)c3OC)c2)n1 ZINC000023442669 556061150 /nfs/dbraw/zinc/06/11/50/556061150.db2.gz JNONPKVGDNWGBU-UHFFFAOYSA-N 1 1 454.636 6.515 50 0 JKAAMO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)CC1(C)C ZINC000023459959 556071318 /nfs/dbraw/zinc/07/13/18/556071318.db2.gz XNHOQAHCCVRNRF-UHFFFAOYSA-N 1 1 466.629 6.278 50 0 JKAAMO CCc1ccccc1[C@H](CC(=O)OC)[NH2+][C@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000023467583 556073148 /nfs/dbraw/zinc/07/31/48/556073148.db2.gz AAQWUXAIKSJXNF-DGYBNRFQSA-N 1 1 474.645 5.503 50 0 JKAAMO CC(C)C[NH+](CC(C)C)Cn1nc(-c2sc3ccccc3c2Cl)n(-c2ccccc2)c1=S ZINC000012578119 556077006 /nfs/dbraw/zinc/07/70/06/556077006.db2.gz RMDNHKMCKZCVRD-UHFFFAOYSA-N 1 1 485.122 7.510 50 0 JKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000015943755 556079452 /nfs/dbraw/zinc/07/94/52/556079452.db2.gz QYJVOLSFWOOVIO-SFHVURJKSA-N 1 1 451.636 5.567 50 0 JKAAMO O=C(c1ccccc1)[C@@H](CCCC[C@@H](C(=O)c1ccccc1)N1CCCCC1)[NH+]1CCCCC1 ZINC000023634460 556080750 /nfs/dbraw/zinc/08/07/50/556080750.db2.gz DZJVYYUUZFCXQS-HNRBIFIRSA-N 1 1 460.662 6.022 50 0 JKAAMO O=C(c1ccccc1)[C@@H](CCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000023634460 556080752 /nfs/dbraw/zinc/08/07/52/556080752.db2.gz DZJVYYUUZFCXQS-HNRBIFIRSA-N 1 1 460.662 6.022 50 0 JKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1ccccc1 ZINC000015945251 556081246 /nfs/dbraw/zinc/08/12/46/556081246.db2.gz PKELBCOEMVSHPS-SANMLTNESA-N 1 1 495.604 5.380 50 0 JKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1ccccc1 ZINC000015945251 556081251 /nfs/dbraw/zinc/08/12/51/556081251.db2.gz PKELBCOEMVSHPS-SANMLTNESA-N 1 1 495.604 5.380 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000015946381 556082897 /nfs/dbraw/zinc/08/28/97/556082897.db2.gz RGMLTRLRMBECDE-QFIPXVFZSA-N 1 1 482.005 5.816 50 0 JKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946375 556082912 /nfs/dbraw/zinc/08/29/12/556082912.db2.gz ZHBZGWVRNMBUAB-HSZRJFAPSA-N 1 1 477.586 5.171 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC)sc2c1CCCCC2 ZINC000015946758 556083486 /nfs/dbraw/zinc/08/34/86/556083486.db2.gz DVBZFHSOURXFBV-HXUWFJFHSA-N 1 1 467.679 6.035 50 0 JKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC)sc2c1CCCCC2 ZINC000015946758 556083489 /nfs/dbraw/zinc/08/34/89/556083489.db2.gz DVBZFHSOURXFBV-HXUWFJFHSA-N 1 1 467.679 6.035 50 0 JKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000015947066 556084331 /nfs/dbraw/zinc/08/43/31/556084331.db2.gz HVIPCSKWCZXTMF-RUZDIDTESA-N 1 1 477.630 5.921 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947086 556084688 /nfs/dbraw/zinc/08/46/88/556084688.db2.gz PENHTNCABBXZHG-FQEVSTJZSA-N 1 1 462.402 6.510 50 0 JKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1cccs1 ZINC000015947166 556084703 /nfs/dbraw/zinc/08/47/03/556084703.db2.gz BWHKWWNPGCSAEM-NRFANRHFSA-N 1 1 483.615 5.234 50 0 JKAAMO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)o2)cc1Cl ZINC000015947376 556085090 /nfs/dbraw/zinc/08/50/90/556085090.db2.gz NQXKRQNZDXIULU-RUZDIDTESA-N 1 1 490.028 6.957 50 0 JKAAMO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)o2)cc1Cl ZINC000015947376 556085092 /nfs/dbraw/zinc/08/50/92/556085092.db2.gz NQXKRQNZDXIULU-RUZDIDTESA-N 1 1 490.028 6.957 50 0 JKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947317 556085152 /nfs/dbraw/zinc/08/51/52/556085152.db2.gz IYMIQVWDNLHERA-XMMPIXPASA-N 1 1 476.001 6.649 50 0 JKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947317 556085155 /nfs/dbraw/zinc/08/51/55/556085155.db2.gz IYMIQVWDNLHERA-XMMPIXPASA-N 1 1 476.001 6.649 50 0 JKAAMO O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947362 556085200 /nfs/dbraw/zinc/08/52/00/556085200.db2.gz YZNIGBWMIJTQRC-XMMPIXPASA-N 1 1 476.001 6.649 50 0 JKAAMO O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947362 556085202 /nfs/dbraw/zinc/08/52/02/556085202.db2.gz YZNIGBWMIJTQRC-XMMPIXPASA-N 1 1 476.001 6.649 50 0 JKAAMO COc1ccc(-n2c([C@@H](C)[NH+]3CCCCC3)nn(CN3CCC[C@@H](C(F)(F)F)C3)c2=S)cc1 ZINC000023841800 556090840 /nfs/dbraw/zinc/09/08/40/556090840.db2.gz FDQSSOVAESQTPK-QZTJIDSGSA-N 1 1 483.604 5.191 50 0 JKAAMO C[C@@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000023845252 556091180 /nfs/dbraw/zinc/09/11/80/556091180.db2.gz QQFHSXWJKHDHSK-HNNXBMFYSA-N 1 1 467.536 5.273 50 0 JKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012614686 556091289 /nfs/dbraw/zinc/09/12/89/556091289.db2.gz UKENGNMTXGKIDG-WQYYOASOSA-N 1 1 460.980 6.163 50 0 JKAAMO C[C@H](c1nn(CN2CCC(c3nc4ccccc4o3)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000023845391 556091384 /nfs/dbraw/zinc/09/13/84/556091384.db2.gz DUSMDFIUWBCAQX-QGZVFWFLSA-N 1 1 480.613 5.143 50 0 JKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)[N@@H+]2Cc4ccccc4C[C@@H]32)cc1 ZINC000015987465 556101472 /nfs/dbraw/zinc/10/14/72/556101472.db2.gz IHCCNYSQNVISOB-QORCZRPOSA-N 1 1 487.397 5.045 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015999255 556104154 /nfs/dbraw/zinc/10/41/54/556104154.db2.gz BRYMWRQCRUSLGF-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015999255 556104158 /nfs/dbraw/zinc/10/41/58/556104158.db2.gz BRYMWRQCRUSLGF-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1sc2ccccc2c1Cl ZINC000012843170 556116831 /nfs/dbraw/zinc/11/68/31/556116831.db2.gz SHILJMYQLAZMPN-UHFFFAOYSA-N 1 1 480.008 6.268 50 0 JKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000016038003 556120315 /nfs/dbraw/zinc/12/03/15/556120315.db2.gz TUOLPIKCYZPXOR-QUMGSSFMSA-N 1 1 497.982 5.111 50 0 JKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000016038003 556120317 /nfs/dbraw/zinc/12/03/17/556120317.db2.gz TUOLPIKCYZPXOR-QUMGSSFMSA-N 1 1 497.982 5.111 50 0 JKAAMO Cc1cc(OCCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000016044188 556123755 /nfs/dbraw/zinc/12/37/55/556123755.db2.gz OQQNKFOJUNAZIO-UHFFFAOYSA-N 1 1 463.021 5.741 50 0 JKAAMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012972057 556163757 /nfs/dbraw/zinc/16/37/57/556163757.db2.gz JUWBLWGPCDUNLS-OAHLLOKOSA-N 1 1 461.509 5.651 50 0 JKAAMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012972057 556163760 /nfs/dbraw/zinc/16/37/60/556163760.db2.gz JUWBLWGPCDUNLS-OAHLLOKOSA-N 1 1 461.509 5.651 50 0 JKAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1OC ZINC000024984668 556169387 /nfs/dbraw/zinc/16/93/87/556169387.db2.gz GOXXNSYMZODYIK-DHIUTWEWSA-N 1 1 475.614 5.062 50 0 JKAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1OC ZINC000024984668 556169391 /nfs/dbraw/zinc/16/93/91/556169391.db2.gz GOXXNSYMZODYIK-DHIUTWEWSA-N 1 1 475.614 5.062 50 0 JKAAMO O=C(Nc1ccc2[nH]cc(CC[N@H+]3CCc4ccccc4C3)c2c1)c1sc2ccccc2c1Cl ZINC000025160882 556199785 /nfs/dbraw/zinc/19/97/85/556199785.db2.gz JJDKDRGYFBCNDT-UHFFFAOYSA-N 1 1 486.040 6.889 50 0 JKAAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000017113562 556218578 /nfs/dbraw/zinc/21/85/78/556218578.db2.gz DJCTZNOOWDUQKM-UHFFFAOYSA-N 1 1 463.628 6.052 50 0 JKAAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000017113562 556218580 /nfs/dbraw/zinc/21/85/80/556218580.db2.gz DJCTZNOOWDUQKM-UHFFFAOYSA-N 1 1 463.628 6.052 50 0 JKAAMO O=S(=O)(NC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000025515058 556218687 /nfs/dbraw/zinc/21/86/87/556218687.db2.gz ZHHZLSBYDRGLCT-SANMLTNESA-N 1 1 477.029 5.739 50 0 JKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000025575313 556222436 /nfs/dbraw/zinc/22/24/36/556222436.db2.gz OQXNSTALAGJTOP-PKTZIBPZSA-N 1 1 481.770 6.451 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000025575523 556222452 /nfs/dbraw/zinc/22/24/52/556222452.db2.gz PCPLHJIVDHEEQI-JWQCQUIFSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000025575529 556222465 /nfs/dbraw/zinc/22/24/65/556222465.db2.gz PCPLHJIVDHEEQI-LOSJGSFVSA-N 1 1 472.932 5.161 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000025575541 556222479 /nfs/dbraw/zinc/22/24/79/556222479.db2.gz PCPLHJIVDHEEQI-DQEYMECFSA-N 1 1 472.932 5.161 50 0 JKAAMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575319 556222507 /nfs/dbraw/zinc/22/25/07/556222507.db2.gz OQXNSTALAGJTOP-DHIUTWEWSA-N 1 1 481.770 6.451 50 0 JKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Br)c2)c1 ZINC000025784020 556235690 /nfs/dbraw/zinc/23/56/90/556235690.db2.gz JMSFZLIYMHEQKG-BJKOFHAPSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1Br ZINC000025784028 556236045 /nfs/dbraw/zinc/23/60/45/556236045.db2.gz FZLADBLCBOTVEX-RPWUZVMVSA-N 1 1 487.357 5.262 50 0 JKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1Br ZINC000025784030 556236136 /nfs/dbraw/zinc/23/61/36/556236136.db2.gz FZLADBLCBOTVEX-ZEQRLZLVSA-N 1 1 487.357 5.262 50 0 JKAAMO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306178 556253711 /nfs/dbraw/zinc/25/37/11/556253711.db2.gz NXTPPTRQKHZAJU-QGZVFWFLSA-N 1 1 470.602 5.042 50 0 JKAAMO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000017306178 556253715 /nfs/dbraw/zinc/25/37/15/556253715.db2.gz NXTPPTRQKHZAJU-QGZVFWFLSA-N 1 1 470.602 5.042 50 0 JKAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026480131 556255152 /nfs/dbraw/zinc/25/51/52/556255152.db2.gz UAJANAQALGHYSA-CYBMUJFWSA-N 1 1 467.944 6.175 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026919621 556265831 /nfs/dbraw/zinc/26/58/31/556265831.db2.gz FVNNIZBJYDGJKY-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026919621 556265836 /nfs/dbraw/zinc/26/58/36/556265836.db2.gz FVNNIZBJYDGJKY-BQJUDKOJSA-N 1 1 469.368 5.124 50 0 JKAAMO S=c1n(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000013071826 556270107 /nfs/dbraw/zinc/27/01/07/556270107.db2.gz SZCSMJCCQBHWHP-IRLDBZIGSA-N 1 1 462.619 5.470 50 0 JKAAMO S=c1n(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000013071826 556270109 /nfs/dbraw/zinc/27/01/09/556270109.db2.gz SZCSMJCCQBHWHP-IRLDBZIGSA-N 1 1 462.619 5.470 50 0 JKAAMO C[N@@H+](C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C1CCCCC1 ZINC000027527964 556289973 /nfs/dbraw/zinc/28/99/73/556289973.db2.gz UGYDDGRDALACKB-GDLZYMKVSA-N 1 1 488.675 7.754 50 0 JKAAMO Cc1ccc(S/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000027571567 556298466 /nfs/dbraw/zinc/29/84/66/556298466.db2.gz DKRMMPKEFZAVKU-XDOYNYLZSA-N 1 1 498.863 6.236 50 0 JKAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000027749698 556305603 /nfs/dbraw/zinc/30/56/03/556305603.db2.gz JADNCWLTZHLCFW-UHFFFAOYSA-N 1 1 467.569 5.288 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(Cl)c2Cl)N2CC[NH+](C)CC2)c1C ZINC000019312326 556339873 /nfs/dbraw/zinc/33/98/73/556339873.db2.gz OYLSDSILHLYQTP-NRFANRHFSA-N 1 1 478.445 5.854 50 0 JKAAMO CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000019317905 556340807 /nfs/dbraw/zinc/34/08/07/556340807.db2.gz PMLZITNBSZBOJU-JOCHJYFZSA-N 1 1 498.743 5.437 50 0 JKAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019707800 556361322 /nfs/dbraw/zinc/36/13/22/556361322.db2.gz BSZKNSIFOUMRCY-UHFFFAOYSA-N 1 1 482.074 6.159 50 0 JKAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019707800 556361327 /nfs/dbraw/zinc/36/13/27/556361327.db2.gz BSZKNSIFOUMRCY-UHFFFAOYSA-N 1 1 482.074 6.159 50 0 JKAAMO CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720164 556361771 /nfs/dbraw/zinc/36/17/71/556361771.db2.gz IVIODAUVINCUDG-UHFFFAOYSA-N 1 1 494.664 6.024 50 0 JKAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000019739799 556363429 /nfs/dbraw/zinc/36/34/29/556363429.db2.gz YUIXXYJNRSJNPB-MHZLTWQESA-N 1 1 483.616 5.032 50 0 JKAAMO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013134771 556364357 /nfs/dbraw/zinc/36/43/57/556364357.db2.gz FPBHYCNNLPQMSM-SDNWHVSQSA-N 1 1 484.949 6.306 50 0 JKAAMO Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793680 556373032 /nfs/dbraw/zinc/37/30/32/556373032.db2.gz XAFSIDNGVIBKKJ-UHFFFAOYSA-N 1 1 458.005 5.397 50 0 JKAAMO CCc1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793700 556373075 /nfs/dbraw/zinc/37/30/75/556373075.db2.gz ILUVGVIRTMRYHP-UHFFFAOYSA-N 1 1 451.614 5.306 50 0 JKAAMO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793456 556373109 /nfs/dbraw/zinc/37/31/09/556373109.db2.gz HOFPPHUSGHXRLX-UHFFFAOYSA-N 1 1 472.032 5.706 50 0 JKAAMO CCCOc1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793737 556373118 /nfs/dbraw/zinc/37/31/18/556373118.db2.gz MINWGDNNJRSLBQ-UHFFFAOYSA-N 1 1 481.640 5.533 50 0 JKAAMO Cc1ccc(Nc2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000019809613 556380613 /nfs/dbraw/zinc/38/06/13/556380613.db2.gz QZFIBJYCNPDPLS-UHFFFAOYSA-N 1 1 468.626 5.743 50 0 JKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622347 556452138 /nfs/dbraw/zinc/45/21/38/556452138.db2.gz WXXJHIHBENPRMY-FQEVSTJZSA-N 1 1 474.786 5.324 50 0 JKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)C1CCCCC1 ZINC000032900667 556528143 /nfs/dbraw/zinc/52/81/43/556528143.db2.gz LTJALWBVNNOFIG-UHFFFAOYSA-N 1 1 466.585 5.403 50 0 JKAAMO Cc1c(=O)c2cccc(C(=O)N[C@@H](C)CC[NH+]3CCN(c4ccccc4)CC3)c2oc1-c1ccccc1 ZINC000032916672 556540687 /nfs/dbraw/zinc/54/06/87/556540687.db2.gz HTCPVOSDPKLMOA-QFIPXVFZSA-N 1 1 495.623 5.099 50 0 JKAAMO CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590208 562942581 /nfs/dbraw/zinc/94/25/81/562942581.db2.gz BSTLHZQINILQCA-KRWDZBQOSA-N 1 1 459.015 5.462 50 0 JKAAMO Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617162 562948215 /nfs/dbraw/zinc/94/82/15/562948215.db2.gz DZEQQQBGKFPVML-HHHXNRCGSA-N 1 1 490.003 5.069 50 0 aggregator JKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000008619120 562948278 /nfs/dbraw/zinc/94/82/78/562948278.db2.gz ZTRTXAPXDPSGPC-HNNXBMFYSA-N 1 1 473.440 5.562 50 0 JKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054105784 569589293 /nfs/dbraw/zinc/58/92/93/569589293.db2.gz LIWXMSWBEUZVDB-HHHXNRCGSA-N 1 1 482.653 5.924 50 0 JKAAMO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](CC)CC3)c3cc(Br)ccc3n2)cc1 ZINC000055048444 569590479 /nfs/dbraw/zinc/59/04/79/569590479.db2.gz TVHOJFPYZJMZPK-UHFFFAOYSA-N 1 1 480.450 5.785 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1cccc(C)c1 ZINC000055089243 569590684 /nfs/dbraw/zinc/59/06/84/569590684.db2.gz XHDMBZMOYCJISP-UHFFFAOYSA-N 1 1 459.571 5.276 50 0 JKAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C ZINC000055343290 569591669 /nfs/dbraw/zinc/59/16/69/569591669.db2.gz FKFRLWIEGDQCMF-KRWDZBQOSA-N 1 1 493.654 6.207 50 0 JKAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)cc1 ZINC000057286242 569595470 /nfs/dbraw/zinc/59/54/70/569595470.db2.gz JUZLAOASUYCTBO-AREMUKBSSA-N 1 1 471.582 5.327 50 0 JKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1Cl ZINC000057286433 569595727 /nfs/dbraw/zinc/59/57/27/569595727.db2.gz TYGSYNWTOADMCS-VWLOTQADSA-N 1 1 493.991 5.085 50 0 JKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032984000 569607343 /nfs/dbraw/zinc/60/73/43/569607343.db2.gz PVELPIPJAPJQTR-MVUTXWCHSA-N 1 1 467.997 5.096 50 0 JKAAMO O=C(Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1)NCc1ccccc1 ZINC000032984956 569608198 /nfs/dbraw/zinc/60/81/98/569608198.db2.gz LXEGELDJDUXJCZ-UHFFFAOYSA-N 1 1 490.607 5.705 50 0 JKAAMO O=C(Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1)NCc1ccccc1 ZINC000032984956 569608199 /nfs/dbraw/zinc/60/81/99/569608199.db2.gz LXEGELDJDUXJCZ-UHFFFAOYSA-N 1 1 490.607 5.705 50 0 JKAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(=O)N[C@H](c3cccs3)c3ccc(C)cc3)C2)cc1 ZINC000062613452 569613133 /nfs/dbraw/zinc/61/31/33/569613133.db2.gz MJSSFQOHALEEGY-AMGIVPHBSA-N 1 1 490.673 5.104 50 0 JKAAMO 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CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671706 569640974 /nfs/dbraw/zinc/64/09/74/569640974.db2.gz SQTNFYWNXNCNAR-URLMMPGGSA-N 1 1 456.630 5.826 50 0 JKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681493 569643324 /nfs/dbraw/zinc/64/33/24/569643324.db2.gz BZYLBNXLZIGKQS-UHFFFAOYSA-N 1 1 464.569 5.448 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1ccccc1Cl ZINC000034681683 569643338 /nfs/dbraw/zinc/64/33/38/569643338.db2.gz AKBWEZAPJSWIRA-UHFFFAOYSA-N 1 1 455.389 5.353 50 0 JKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034681909 569643624 /nfs/dbraw/zinc/64/36/24/569643624.db2.gz KTSPJIYXEWBVIZ-UHFFFAOYSA-N 1 1 464.560 5.448 50 0 JKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1 ZINC000034681878 569643627 /nfs/dbraw/zinc/64/36/27/569643627.db2.gz JQCARRYDFJNYKQ-XMMPIXPASA-N 1 1 463.025 5.580 50 0 JKAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681946 569643697 /nfs/dbraw/zinc/64/36/97/569643697.db2.gz MMFBUPIMGNCITH-UHFFFAOYSA-N 1 1 484.522 5.074 50 0 JKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681952 569643721 /nfs/dbraw/zinc/64/37/21/569643721.db2.gz WZMFXCAWRZKPDG-UHFFFAOYSA-N 1 1 460.525 5.127 50 0 JKAAMO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683403 569644271 /nfs/dbraw/zinc/64/42/71/569644271.db2.gz PQLJNPSRQOAQIH-UHFFFAOYSA-N 1 1 488.628 5.586 50 0 JKAAMO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683226 569644283 /nfs/dbraw/zinc/64/42/83/569644283.db2.gz KENBATAQNSFEHK-UHFFFAOYSA-N 1 1 490.600 5.032 50 0 JKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683668 569644423 /nfs/dbraw/zinc/64/44/23/569644423.db2.gz FCQLUEIFZDMEBK-UHFFFAOYSA-N 1 1 493.431 5.992 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683564 569644540 /nfs/dbraw/zinc/64/45/40/569644540.db2.gz FTFXFRKICMCKJI-UHFFFAOYSA-N 1 1 492.591 5.471 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034683790 569644618 /nfs/dbraw/zinc/64/46/18/569644618.db2.gz VQTJDNLYGRDYMA-UHFFFAOYSA-N 1 1 498.620 5.011 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)c(OC)c1 ZINC000034683803 569644666 /nfs/dbraw/zinc/64/46/66/569644666.db2.gz XHISQCSWFBXZFP-UHFFFAOYSA-N 1 1 494.657 5.181 50 0 JKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683881 569644833 /nfs/dbraw/zinc/64/48/33/569644833.db2.gz VNRFFRYZYLHVQU-UHFFFAOYSA-N 1 1 458.624 5.364 50 0 JKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3Cl)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683754 569644694 /nfs/dbraw/zinc/64/46/94/569644694.db2.gz HFFIABCNNGSENG-UHFFFAOYSA-N 1 1 489.468 6.162 50 0 JKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685541 569645036 /nfs/dbraw/zinc/64/50/36/569645036.db2.gz DPIDBHZYWODXFL-CHJDUVSTSA-N 1 1 498.598 5.992 50 0 JKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685541 569645038 /nfs/dbraw/zinc/64/50/38/569645038.db2.gz DPIDBHZYWODXFL-CHJDUVSTSA-N 1 1 498.598 5.992 50 0 JKAAMO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000034685560 569645139 /nfs/dbraw/zinc/64/51/39/569645139.db2.gz CKUHFPZJFFFZIC-SSEXGKCCSA-N 1 1 478.592 5.899 50 0 JKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034686581 569645278 /nfs/dbraw/zinc/64/52/78/569645278.db2.gz WFKVJXIUNROEBO-ZTOMLWHTSA-N 1 1 454.614 5.436 50 0 JKAAMO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000034686587 569645416 /nfs/dbraw/zinc/64/54/16/569645416.db2.gz ZSUHCCPUVHXXBS-PMERELPUSA-N 1 1 483.011 6.505 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698868 569647965 /nfs/dbraw/zinc/64/79/65/569647965.db2.gz ADDHYRFDVZGMRR-VAVYLYDRSA-N 1 1 456.630 6.279 50 0 JKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698827 569648017 /nfs/dbraw/zinc/64/80/17/569648017.db2.gz ZMFQLTWWTZAALK-GIGWZHCTSA-N 1 1 474.620 6.418 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698804 569648031 /nfs/dbraw/zinc/64/80/31/569648031.db2.gz ZILLPNFYGNAFRY-AOYPEHQESA-N 1 1 462.584 6.040 50 0 JKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698836 569648082 /nfs/dbraw/zinc/64/80/82/569648082.db2.gz OCPPNMIEVSNRMK-FYBSXPHGSA-N 1 1 487.663 6.163 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699026 569648154 /nfs/dbraw/zinc/64/81/54/569648154.db2.gz RYFZSHRMILLWDS-LBNVMWSVSA-N 1 1 462.584 5.979 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)s1 ZINC000034699040 569648163 /nfs/dbraw/zinc/64/81/63/569648163.db2.gz OKLDTVOHZCDFAM-SQHAQQRYSA-N 1 1 464.650 6.210 50 0 JKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698915 569648279 /nfs/dbraw/zinc/64/82/79/569648279.db2.gz BJRHMOPPKLTLLP-YIXXDRMTSA-N 1 1 480.649 5.910 50 0 JKAAMO Cc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)c1 ZINC000034699038 569648299 /nfs/dbraw/zinc/64/82/99/569648299.db2.gz LHPYLIICEOFWJH-PXJZQJOASA-N 1 1 458.621 6.148 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034699022 569648321 /nfs/dbraw/zinc/64/83/21/569648321.db2.gz AVIARBVOVMFWCM-PXJZQJOASA-N 1 1 458.621 6.148 50 0 JKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699052 569648359 /nfs/dbraw/zinc/64/83/59/569648359.db2.gz CJAYYLNTBKKYIU-SQJMNOBHSA-N 1 1 454.586 5.793 50 0 JKAAMO Cn1cccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)C1 ZINC000034699014 569648364 /nfs/dbraw/zinc/64/83/64/569648364.db2.gz UURHBBYSXCPWNR-UHSQPCAPSA-N 1 1 455.646 5.716 50 0 JKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000034699294 569648393 /nfs/dbraw/zinc/64/83/93/569648393.db2.gz MLZUYSPIWJYFLW-SXOMAYOGSA-N 1 1 459.609 5.430 50 0 JKAAMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(C(=O)c3cccc(F)c3)C3CC3)C2)o1 ZINC000034699182 569648398 /nfs/dbraw/zinc/64/83/98/569648398.db2.gz SMIPPUNZRRSAJX-RLWLMLJZSA-N 1 1 450.529 5.387 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699183 569648429 /nfs/dbraw/zinc/64/84/29/569648429.db2.gz SMIPPUNZRRSAJX-LVXARBLLSA-N 1 1 450.529 5.387 50 0 JKAAMO COc1cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)cc(OC)c1 ZINC000034699084 569648498 /nfs/dbraw/zinc/64/84/98/569648498.db2.gz LYESCTJQDROWAM-OFSOJUDTSA-N 1 1 486.656 5.779 50 0 JKAAMO Fc1cccc(C[NH+]2CCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccs5)n43)CC2)c1 ZINC000034707890 569650051 /nfs/dbraw/zinc/65/00/51/569650051.db2.gz RIAKXCCDZZLLTC-UHFFFAOYSA-N 1 1 478.984 5.121 50 0 JKAAMO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1ccccc1F ZINC000034707899 569650087 /nfs/dbraw/zinc/65/00/87/569650087.db2.gz MHAYIKSPAWPOMJ-INIZCTEOSA-N 1 1 493.011 5.509 50 0 JKAAMO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1ccccc1F ZINC000034707899 569650089 /nfs/dbraw/zinc/65/00/89/569650089.db2.gz MHAYIKSPAWPOMJ-INIZCTEOSA-N 1 1 493.011 5.509 50 0 JKAAMO Cc1ccc(F)c(C[NH+]2CCN(c3nc4ccccc4c4nnc(-c5ccc(Cl)cc5)n43)CC2)c1 ZINC000034708026 569650300 /nfs/dbraw/zinc/65/03/00/569650300.db2.gz GYVDPZPLKUQBAS-UHFFFAOYSA-N 1 1 486.982 5.368 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711503 569650720 /nfs/dbraw/zinc/65/07/20/569650720.db2.gz SLUQSLYJFCDIDV-UIOOFZCWSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711504 569650728 /nfs/dbraw/zinc/65/07/28/569650728.db2.gz SLUQSLYJFCDIDV-CLJLJLNGSA-N 1 1 460.593 5.107 50 0 JKAAMO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000034711426 569650859 /nfs/dbraw/zinc/65/08/59/569650859.db2.gz LCEMTHGHRHBMCJ-FTJBHMTQSA-N 1 1 460.593 5.107 50 0 JKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711126 569650865 /nfs/dbraw/zinc/65/08/65/569650865.db2.gz UCHLTSVVRWXOGG-FGZHOGPDSA-N 1 1 488.500 5.906 50 0 JKAAMO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@@H+](Cc4cccs4)[C@@H](C)CC)cc3)ccc21 ZINC000065026897 569651615 /nfs/dbraw/zinc/65/16/15/569651615.db2.gz KTWPAUGOYYMMHZ-NRFANRHFSA-N 1 1 489.685 5.745 50 0 JKAAMO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccc(F)cc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000034716763 569651862 /nfs/dbraw/zinc/65/18/62/569651862.db2.gz DOGFDCOVMRUCNZ-PKTZIBPZSA-N 1 1 452.520 5.334 50 0 JKAAMO Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716773 569651894 /nfs/dbraw/zinc/65/18/94/569651894.db2.gz DNHKYNWYGXIMTR-GOTSBHOMSA-N 1 1 452.520 5.334 50 0 JKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716774 569651910 /nfs/dbraw/zinc/65/19/10/569651910.db2.gz DNHKYNWYGXIMTR-DHIUTWEWSA-N 1 1 452.520 5.334 50 0 JKAAMO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000034716806 569651916 /nfs/dbraw/zinc/65/19/16/569651916.db2.gz RGVNQYIRXFLSKD-JWQCQUIFSA-N 1 1 465.012 6.018 50 0 JKAAMO Cc1ccc(C[N@H+]2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034723415 569652692 /nfs/dbraw/zinc/65/26/92/569652692.db2.gz OQDYENVDNVDKFF-KCWPFWIISA-N 1 1 483.578 5.645 50 0 JKAAMO Cc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCN(c4ccccc4)CC3)C2)o1 ZINC000034723415 569652693 /nfs/dbraw/zinc/65/26/93/569652693.db2.gz OQDYENVDNVDKFF-KCWPFWIISA-N 1 1 483.578 5.645 50 0 JKAAMO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)cc2Cl)c2ccccc2F)CC1 ZINC000034728157 569653195 /nfs/dbraw/zinc/65/31/95/569653195.db2.gz MGGQFEAEAKUGBC-DEOSSOPVSA-N 1 1 472.963 5.959 50 0 JKAAMO CC(C)c1cccc(O[C@@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2F)c1 ZINC000034728191 569653217 /nfs/dbraw/zinc/65/32/17/569653217.db2.gz WROIVIGEUVAQPR-NDEPHWFRSA-N 1 1 490.619 6.006 50 0 JKAAMO COc1cc(C[N@H+]2C[C@@H](C(=O)NCCc3ccccc3OC)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034733820 569653516 /nfs/dbraw/zinc/65/35/16/569653516.db2.gz ZGNAHFOZCBSBPQ-LBNVMWSVSA-N 1 1 488.628 5.025 50 0 JKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054975 569653915 /nfs/dbraw/zinc/65/39/15/569653915.db2.gz JEGGFNRIFSMGEZ-HSZRJFAPSA-N 1 1 492.639 6.449 50 0 JKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054983 569653923 /nfs/dbraw/zinc/65/39/23/569653923.db2.gz JPAPTNYTSJTKIS-LJQANCHMSA-N 1 1 464.585 5.669 50 0 JKAAMO 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CC[C@@H](C(=O)N(Cc1nn(-c2ccccc2OC)c2c1C[N@H+](CC)CC2)CC(C)C)c1ccccc1 ZINC000034762165 569657943 /nfs/dbraw/zinc/65/79/43/569657943.db2.gz DXYAWFKYTDLVSJ-XMMPIXPASA-N 1 1 488.676 5.437 50 0 JKAAMO CC[C@@H](C(=O)N(Cc1nn(-c2ccccc2OC)c2c1C[N@@H+](CC)CC2)CC(C)C)c1ccccc1 ZINC000034762165 569657944 /nfs/dbraw/zinc/65/79/44/569657944.db2.gz DXYAWFKYTDLVSJ-XMMPIXPASA-N 1 1 488.676 5.437 50 0 JKAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034788020 569659980 /nfs/dbraw/zinc/65/99/80/569659980.db2.gz KTGJEFKJOTUTIS-LXFBAYGMSA-N 1 1 495.733 5.281 50 0 JKAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034788020 569659981 /nfs/dbraw/zinc/65/99/81/569659981.db2.gz KTGJEFKJOTUTIS-LXFBAYGMSA-N 1 1 495.733 5.281 50 0 JKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034830091 569663588 /nfs/dbraw/zinc/66/35/88/569663588.db2.gz ONCAQLJPQJDOJT-ZTOMLWHTSA-N 1 1 493.717 5.115 50 0 JKAAMO 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COc1ccccc1-c1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)n2nc(-c3ccccc3)cc2n1 ZINC000034834112 569664695 /nfs/dbraw/zinc/66/46/95/569664695.db2.gz MBNMFDJEOJBCBW-NRFANRHFSA-N 1 1 483.616 5.066 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836414 569665609 /nfs/dbraw/zinc/66/56/09/569665609.db2.gz RUACSUVOFHMWQL-DEOSSOPVSA-N 1 1 491.699 5.879 50 0 JKAAMO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836414 569665611 /nfs/dbraw/zinc/66/56/11/569665611.db2.gz RUACSUVOFHMWQL-DEOSSOPVSA-N 1 1 491.699 5.879 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1cccs1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836401 569665763 /nfs/dbraw/zinc/66/57/63/569665763.db2.gz NPXSMBUNKNYJAS-FQEVSTJZSA-N 1 1 469.674 5.324 50 0 JKAAMO CC[C@H](C)[N@@H+](Cc1cccs1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836401 569665764 /nfs/dbraw/zinc/66/57/64/569665764.db2.gz NPXSMBUNKNYJAS-FQEVSTJZSA-N 1 1 469.674 5.324 50 0 JKAAMO CC[C@H](C)[N@H+](Cc1sccc1C)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836407 569665772 /nfs/dbraw/zinc/66/57/72/569665772.db2.gz OLLLVGRAJXQJPS-NRFANRHFSA-N 1 1 483.701 5.632 50 0 JKAAMO CC[C@H](C)[N@@H+](Cc1sccc1C)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836407 569665773 /nfs/dbraw/zinc/66/57/73/569665773.db2.gz OLLLVGRAJXQJPS-NRFANRHFSA-N 1 1 483.701 5.632 50 0 JKAAMO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000034836682 569665955 /nfs/dbraw/zinc/66/59/55/569665955.db2.gz CUCBDWNYHIYURQ-DEOSSOPVSA-N 1 1 471.693 5.263 50 0 JKAAMO CCCc1nn(-c2cccc(Cl)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034837032 569666455 /nfs/dbraw/zinc/66/64/55/569666455.db2.gz LRNCYAHAOYLHKX-UHFFFAOYSA-N 1 1 498.090 5.780 50 0 JKAAMO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)[C@@H]1c1cccc(Cl)c1 ZINC000034927687 569673158 /nfs/dbraw/zinc/67/31/58/569673158.db2.gz OIQJEPXUSCFJHB-TUSQITKMSA-N 1 1 468.041 5.021 50 0 JKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4cc5ccc(OC)c(Cl)c5nc4s3)cc2)CC1 ZINC000065321308 569674634 /nfs/dbraw/zinc/67/46/34/569674634.db2.gz CEPKZMHRGPNMMJ-UHFFFAOYSA-N 1 1 495.048 5.501 50 0 JKAAMO C[N@@H+](CCC[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-])Cc1ccccc1 ZINC000065321900 569674810 /nfs/dbraw/zinc/67/48/10/569674810.db2.gz UHYUJMKIMYZEJI-UHFFFAOYSA-N 1 1 494.010 5.792 50 0 JKAAMO COc1ccc(-c2csc3ncnc(N4CCC[C@@H](C[N@@H+](C)Cc5cccnc5)C4)c23)cc1 ZINC000065567861 569676167 /nfs/dbraw/zinc/67/61/67/569676167.db2.gz WBLVXHHMEMQCMI-FQEVSTJZSA-N 1 1 459.619 5.110 50 0 JKAAMO COc1ccc(-c2csc3ncnc(N4CCC[C@H](C[N@@H+](C)Cc5cccnc5)C4)c23)cc1 ZINC000065567864 569676190 /nfs/dbraw/zinc/67/61/90/569676190.db2.gz WBLVXHHMEMQCMI-HXUWFJFHSA-N 1 1 459.619 5.110 50 0 JKAAMO Cc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000035415630 569692069 /nfs/dbraw/zinc/69/20/69/569692069.db2.gz AJQGTBLRFBMPQT-PZJWPPBQSA-N 1 1 495.733 6.439 50 0 JKAAMO 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Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)c(C)c1 ZINC000035427088 569694175 /nfs/dbraw/zinc/69/41/75/569694175.db2.gz JTJWFJMWFRNLIL-HHHXNRCGSA-N 1 1 482.653 6.281 50 0 JKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)cc1 ZINC000035427083 569694219 /nfs/dbraw/zinc/69/42/19/569694219.db2.gz HOEAIYZZUAUXST-HHHXNRCGSA-N 1 1 498.652 6.063 50 0 JKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)cc1 ZINC000035427083 569694220 /nfs/dbraw/zinc/69/42/20/569694220.db2.gz HOEAIYZZUAUXST-HHHXNRCGSA-N 1 1 498.652 6.063 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427439 569694414 /nfs/dbraw/zinc/69/44/14/569694414.db2.gz PEZALIPXSBUGQO-MUUNZHRXSA-N 1 1 496.680 6.671 50 0 JKAAMO CC[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427437 569694476 /nfs/dbraw/zinc/69/44/76/569694476.db2.gz PEZALIPXSBUGQO-NDEPHWFRSA-N 1 1 496.680 6.671 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000035529705 569700203 /nfs/dbraw/zinc/70/02/03/569700203.db2.gz IYTJUHDUNCFUMJ-YADARESESA-N 1 1 462.615 6.004 50 0 JKAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000035529705 569700205 /nfs/dbraw/zinc/70/02/05/569700205.db2.gz IYTJUHDUNCFUMJ-YADARESESA-N 1 1 462.615 6.004 50 0 JKAAMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000072272273 569701345 /nfs/dbraw/zinc/70/13/45/569701345.db2.gz DBAHSUZYJGCYNO-UHFFFAOYSA-N 1 1 486.801 5.648 50 0 JKAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)nc(C)[nH+]2)cc1 ZINC000072442019 569704230 /nfs/dbraw/zinc/70/42/30/569704230.db2.gz NMNNQRDRENZUMO-UHFFFAOYSA-N 1 1 450.974 5.153 50 0 JKAAMO Cc1ccc2nc(-c3ccco3)cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000035708792 569707679 /nfs/dbraw/zinc/70/76/79/569707679.db2.gz XCKJTXHUCRNPLP-UHFFFAOYSA-N 1 1 487.603 6.351 50 0 JKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn32)CC1 ZINC000085410359 569710578 /nfs/dbraw/zinc/71/05/78/569710578.db2.gz YQQWRRJKDKGDMN-UHFFFAOYSA-N 1 1 466.629 5.382 50 0 JKAAMO Cc1cc(Nc2nc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc3occc32)ccc1Br ZINC000085651279 569713105 /nfs/dbraw/zinc/71/31/05/569713105.db2.gz ISGVABAJFFNASI-KRWDZBQOSA-N 1 1 485.426 5.637 50 0 JKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000035840691 569713765 /nfs/dbraw/zinc/71/37/65/569713765.db2.gz WMIJHQVOYGEUIE-HHHXNRCGSA-N 1 1 466.666 5.853 50 0 JKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840650 569713779 /nfs/dbraw/zinc/71/37/79/569713779.db2.gz MJNOAHBRHQYCIT-WJOKGBTCSA-N 1 1 496.695 6.584 50 0 JKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840580 569713830 /nfs/dbraw/zinc/71/38/30/569713830.db2.gz HHWMKTBUYBHDNS-AREMUKBSSA-N 1 1 454.586 5.229 50 0 JKAAMO Fc1ccccc1C[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)CC1CCCCC1 ZINC000035841252 569713931 /nfs/dbraw/zinc/71/39/31/569713931.db2.gz SLHIRWGBPPAGIT-UHFFFAOYSA-N 1 1 458.543 7.277 50 0 JKAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035840802 569713958 /nfs/dbraw/zinc/71/39/58/569713958.db2.gz HNUYMRTULHBEBQ-AREMUKBSSA-N 1 1 466.597 5.259 50 0 JKAAMO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842654 569714114 /nfs/dbraw/zinc/71/41/14/569714114.db2.gz LJIVEXPGAPZPEZ-UHFFFAOYSA-N 1 1 477.693 5.520 50 0 JKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844666 569715159 /nfs/dbraw/zinc/71/51/59/569715159.db2.gz ZRBIETAJJKBBDD-UHFFFAOYSA-N 1 1 452.467 5.872 50 0 JKAAMO COC(=O)c1cccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2)c1 ZINC000035844676 569715247 /nfs/dbraw/zinc/71/52/47/569715247.db2.gz PTXBZHYNHHBELG-UHFFFAOYSA-N 1 1 492.541 6.544 50 0 JKAAMO COC(=O)c1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2)c1 ZINC000035844676 569715248 /nfs/dbraw/zinc/71/52/48/569715248.db2.gz PTXBZHYNHHBELG-UHFFFAOYSA-N 1 1 492.541 6.544 50 0 JKAAMO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000035844726 569715275 /nfs/dbraw/zinc/71/52/75/569715275.db2.gz VBLBYBSMMQGJCV-UHFFFAOYSA-N 1 1 485.594 5.506 50 0 JKAAMO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844804 569715421 /nfs/dbraw/zinc/71/54/21/569715421.db2.gz ZSQJFALNMZIOBG-FQEVSTJZSA-N 1 1 454.561 5.738 50 0 JKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844804 569715422 /nfs/dbraw/zinc/71/54/22/569715422.db2.gz ZSQJFALNMZIOBG-FQEVSTJZSA-N 1 1 454.561 5.738 50 0 JKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844805 569715439 /nfs/dbraw/zinc/71/54/39/569715439.db2.gz KYDRCYGOWQBAKT-JOCHJYFZSA-N 1 1 476.617 5.247 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](CCC(C)C)Cc2ccc(F)c(F)c2)o1 ZINC000035844984 569715671 /nfs/dbraw/zinc/71/56/71/569715671.db2.gz MCBKQTMMEFOBMX-UHFFFAOYSA-N 1 1 468.588 5.986 50 0 JKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](CCC(C)C)Cc2ccc(F)c(F)c2)o1 ZINC000035844984 569715672 /nfs/dbraw/zinc/71/56/72/569715672.db2.gz MCBKQTMMEFOBMX-UHFFFAOYSA-N 1 1 468.588 5.986 50 0 JKAAMO COC(=O)c1cccc(C[N@@H+](CCC(C)C)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)c1 ZINC000035844988 569715760 /nfs/dbraw/zinc/71/57/60/569715760.db2.gz ZRLLUPVQXGFPQL-UHFFFAOYSA-N 1 1 490.644 5.494 50 0 JKAAMO CCCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035845004 569715768 /nfs/dbraw/zinc/71/57/68/569715768.db2.gz KIGJDZNUBIUDHB-UHFFFAOYSA-N 1 1 490.644 5.638 50 0 JKAAMO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12)c1ccccc1 ZINC000035871496 569718696 /nfs/dbraw/zinc/71/86/96/569718696.db2.gz USZLTFXXAPXIGE-XYURVEJXSA-N 1 1 471.567 5.188 50 0 JKAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCCC4)C[C@H]23)cc1 ZINC000035871551 569718746 /nfs/dbraw/zinc/71/87/46/569718746.db2.gz ZBSIKRFCXQUJCR-UKILVPOCSA-N 1 1 487.566 5.348 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662081 569719518 /nfs/dbraw/zinc/71/95/18/569719518.db2.gz KZIRRLBFCRHIIN-QZTJIDSGSA-N 1 1 453.505 5.601 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662081 569719517 /nfs/dbraw/zinc/71/95/17/569719517.db2.gz KZIRRLBFCRHIIN-QZTJIDSGSA-N 1 1 453.505 5.601 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662079 569719570 /nfs/dbraw/zinc/71/95/70/569719570.db2.gz KZIRRLBFCRHIIN-ROUUACIJSA-N 1 1 453.505 5.601 50 0 JKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000089662079 569719572 /nfs/dbraw/zinc/71/95/72/569719572.db2.gz KZIRRLBFCRHIIN-ROUUACIJSA-N 1 1 453.505 5.601 50 0 JKAAMO Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000089677979 569719603 /nfs/dbraw/zinc/71/96/03/569719603.db2.gz GAZRKTJPWXQEDN-HHHXNRCGSA-N 1 1 493.611 5.604 50 0 JKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888686 569721252 /nfs/dbraw/zinc/72/12/52/569721252.db2.gz HEAAGZAQDAKOTB-HHHXNRCGSA-N 1 1 486.059 6.250 50 0 JKAAMO Cc1sc2nc(CCc3ccccc3)nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)c2c1C ZINC000035892884 569722502 /nfs/dbraw/zinc/72/25/02/569722502.db2.gz KLNMVZLGGRVIIC-UHFFFAOYSA-N 1 1 460.622 5.555 50 0 JKAAMO CC[C@@H](C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@H](C)C3 ZINC000035892788 569722532 /nfs/dbraw/zinc/72/25/32/569722532.db2.gz OUJYOXDWLHTGKX-ZWKOTPCHSA-N 1 1 452.643 5.791 50 0 JKAAMO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908054 569723676 /nfs/dbraw/zinc/72/36/76/569723676.db2.gz DPFNBUONIKTKMH-AHWVRZQESA-N 1 1 497.536 5.389 50 0 JKAAMO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH+]1CCN(c2ccccc2)CC1 ZINC000095477935 569724483 /nfs/dbraw/zinc/72/44/83/569724483.db2.gz OHAMLNPHQDJFJH-UHFFFAOYSA-N 1 1 465.553 5.540 50 0 JKAAMO CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2Cc1cccc(F)c1 ZINC000035924510 569728029 /nfs/dbraw/zinc/72/80/29/569728029.db2.gz WCDGGMAEDFUGTK-UHFFFAOYSA-N 1 1 471.576 5.185 50 0 JKAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@@H+](Cc4ccccc4Cl)CC3)c12 ZINC000035924669 569728133 /nfs/dbraw/zinc/72/81/33/569728133.db2.gz LALNLZXDBUDVJB-UHFFFAOYSA-N 1 1 489.067 5.688 50 0 JKAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@@H+](Cc4ccc(C(C)C)cc4)CC3)c12 ZINC000035924676 569728160 /nfs/dbraw/zinc/72/81/60/569728160.db2.gz MTDUETFIRRYIFD-UHFFFAOYSA-N 1 1 496.703 6.158 50 0 JKAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925684 569729005 /nfs/dbraw/zinc/72/90/05/569729005.db2.gz ZZYPPJSXTKQVHX-UHFFFAOYSA-N 1 1 494.565 5.499 50 0 JKAAMO O=[S@@](c1ccc(F)cc1)C1=CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918153 569729570 /nfs/dbraw/zinc/72/95/70/569729570.db2.gz KAVCHEAVDZHBBJ-MGBGTMOVSA-N 1 1 469.572 6.413 50 0 JKAAMO Cc1ncc(C[N@@H+](C)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116447 569735327 /nfs/dbraw/zinc/73/53/27/569735327.db2.gz WTFAQJKXYOCEIF-UHFFFAOYSA-N 1 1 450.538 6.030 50 0 biogenic JKAAMO CSc1ccc(Cl)c(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183742 569737136 /nfs/dbraw/zinc/73/71/36/569737136.db2.gz XPUGUXJEAPHVJJ-SANMLTNESA-N 1 1 465.062 6.226 50 0 JKAAMO Fc1ccc(C(CCC[N@H+]2CCn3c(CN4CCOCC4)ccc3C2)c2ccc(F)cc2)cc1 ZINC000096579709 569741613 /nfs/dbraw/zinc/74/16/13/569741613.db2.gz OCWPWZFPSARXMR-UHFFFAOYSA-N 1 1 465.588 5.026 50 0 JKAAMO c1ccc(C[N@H+]2[C@@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000096594051 569742229 /nfs/dbraw/zinc/74/22/29/569742229.db2.gz LZBMMFQTIDLMFA-JHOUSYSJSA-N 1 1 483.680 8.619 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991112 569744372 /nfs/dbraw/zinc/74/43/72/569744372.db2.gz BLEZBJCRWMBDQP-VWLOTQADSA-N 1 1 463.622 5.020 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991112 569744373 /nfs/dbraw/zinc/74/43/73/569744373.db2.gz BLEZBJCRWMBDQP-VWLOTQADSA-N 1 1 463.622 5.020 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991599 569744478 /nfs/dbraw/zinc/74/44/78/569744478.db2.gz PSMSYMDIXRJKOX-MHZLTWQESA-N 1 1 485.584 5.124 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991599 569744479 /nfs/dbraw/zinc/74/44/79/569744479.db2.gz PSMSYMDIXRJKOX-MHZLTWQESA-N 1 1 485.584 5.124 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991387 569744521 /nfs/dbraw/zinc/74/45/21/569744521.db2.gz KOKKJIZHJFAVCD-OAQYLSRUSA-N 1 1 468.425 5.161 50 0 JKAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991383 569744537 /nfs/dbraw/zinc/74/45/37/569744537.db2.gz JDCITMOXBKTQAQ-JOCHJYFZSA-N 1 1 476.404 5.029 50 0 JKAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991383 569744538 /nfs/dbraw/zinc/74/45/38/569744538.db2.gz JDCITMOXBKTQAQ-JOCHJYFZSA-N 1 1 476.404 5.029 50 0 JKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031494 569751969 /nfs/dbraw/zinc/75/19/69/569751969.db2.gz AOILCUQZOFFTFQ-QHCPKHFHSA-N 1 1 453.966 5.128 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1Cl)[N@H+](Cc1ccccc1C)CC2 ZINC000036041041 569753618 /nfs/dbraw/zinc/75/36/18/569753618.db2.gz FZVKJJBBYIISHY-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1Cl)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041041 569753620 /nfs/dbraw/zinc/75/36/20/569753620.db2.gz FZVKJJBBYIISHY-XMMPIXPASA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1Cl)[N@H+](Cc1ccccc1C)CC2 ZINC000036041040 569753703 /nfs/dbraw/zinc/75/37/03/569753703.db2.gz FZVKJJBBYIISHY-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1Cl)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041040 569753704 /nfs/dbraw/zinc/75/37/04/569753704.db2.gz FZVKJJBBYIISHY-DEOSSOPVSA-N 1 1 464.993 5.195 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1Cl)[N@H+](Cc1ccccc1)CC2 ZINC000036043117 569754638 /nfs/dbraw/zinc/75/46/38/569754638.db2.gz PDDUFVRROQBVSL-QYBDOPJKSA-N 1 1 464.993 5.275 50 0 JKAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1Cl)[N@@H+](Cc1ccccc1)CC2 ZINC000036043117 569754639 /nfs/dbraw/zinc/75/46/39/569754639.db2.gz PDDUFVRROQBVSL-QYBDOPJKSA-N 1 1 464.993 5.275 50 0 JKAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043202 569754649 /nfs/dbraw/zinc/75/46/49/569754649.db2.gz HRUITTAHMKSBOC-MMTVBGGISA-N 1 1 489.616 5.330 50 0 JKAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)Nc2ccc(C)cc2)cc1 ZINC000036043202 569754650 /nfs/dbraw/zinc/75/46/50/569754650.db2.gz HRUITTAHMKSBOC-MMTVBGGISA-N 1 1 489.616 5.330 50 0 JKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048345 569755849 /nfs/dbraw/zinc/75/58/49/569755849.db2.gz AGCDRCIEVWHYJQ-LEAFIULHSA-N 1 1 474.601 5.020 50 0 JKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048345 569755851 /nfs/dbraw/zinc/75/58/51/569755851.db2.gz AGCDRCIEVWHYJQ-LEAFIULHSA-N 1 1 474.601 5.020 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000036048505 569756038 /nfs/dbraw/zinc/75/60/38/569756038.db2.gz PTORALWNEUEYAY-RUZDIDTESA-N 1 1 459.590 5.242 50 0 JKAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036048505 569756039 /nfs/dbraw/zinc/75/60/39/569756039.db2.gz PTORALWNEUEYAY-RUZDIDTESA-N 1 1 459.590 5.242 50 0 JKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3sccc3C)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036202281 569756929 /nfs/dbraw/zinc/75/69/29/569756929.db2.gz YFKWYBKDSAHAFR-UHFFFAOYSA-N 1 1 489.637 6.116 50 0 JKAAMO CCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202672 569757038 /nfs/dbraw/zinc/75/70/38/569757038.db2.gz JCHLRHGLZUFQDP-UHFFFAOYSA-N 1 1 475.585 5.895 50 0 JKAAMO CCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202672 569757039 /nfs/dbraw/zinc/75/70/39/569757039.db2.gz JCHLRHGLZUFQDP-UHFFFAOYSA-N 1 1 475.585 5.895 50 0 JKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036249755 569758143 /nfs/dbraw/zinc/75/81/43/569758143.db2.gz JHOUBHRGOFTJIF-HSZRJFAPSA-N 1 1 487.616 5.346 50 0 JKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301558 569759062 /nfs/dbraw/zinc/75/90/62/569759062.db2.gz TTYOCZYJYYGHTC-RUZDIDTESA-N 1 1 455.602 5.693 50 0 JKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](C)O)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301707 569759157 /nfs/dbraw/zinc/75/91/57/569759157.db2.gz YQOMAKRCKJNGEX-QGZVFWFLSA-N 1 1 455.986 5.228 50 0 JKAAMO 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Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343549 569766362 /nfs/dbraw/zinc/76/63/62/569766362.db2.gz SRCDZQFHTMUUSM-SSEXGKCCSA-N 1 1 480.656 5.107 50 0 JKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036343762 569766471 /nfs/dbraw/zinc/76/64/71/569766471.db2.gz TVVZVAPHZJRERA-MUUNZHRXSA-N 1 1 487.047 5.144 50 0 JKAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036344139 569766758 /nfs/dbraw/zinc/76/67/58/569766758.db2.gz IYZCLOWDBQPDPT-MUUNZHRXSA-N 1 1 455.602 5.512 50 0 JKAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036344139 569766759 /nfs/dbraw/zinc/76/67/59/569766759.db2.gz IYZCLOWDBQPDPT-MUUNZHRXSA-N 1 1 455.602 5.512 50 0 JKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344663 569767249 /nfs/dbraw/zinc/76/72/49/569767249.db2.gz PHJAFURWAHIHMD-WJOKGBTCSA-N 1 1 494.683 5.416 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345041 569767687 /nfs/dbraw/zinc/76/76/87/569767687.db2.gz ALNBSGDTMVXGCP-NDEPHWFRSA-N 1 1 487.047 5.144 50 0 JKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345515 569767958 /nfs/dbraw/zinc/76/79/58/569767958.db2.gz LSDDLCUNLSCCGS-PMERELPUSA-N 1 1 483.631 6.075 50 0 JKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345516 569768022 /nfs/dbraw/zinc/76/80/22/569768022.db2.gz LSDDLCUNLSCCGS-SSEXGKCCSA-N 1 1 483.631 6.075 50 0 JKAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345461 569768048 /nfs/dbraw/zinc/76/80/48/569768048.db2.gz JVWXBSIKBHULIE-LJAQVGFWSA-N 1 1 469.604 5.767 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345797 569768198 /nfs/dbraw/zinc/76/81/98/569768198.db2.gz VPRIYPCMQQUGQC-XMMPIXPASA-N 1 1 483.628 5.754 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036345799 569768222 /nfs/dbraw/zinc/76/82/22/569768222.db2.gz RTSOXBRVGHZHTN-QHCPKHFHSA-N 1 1 469.601 5.362 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036345879 569768374 /nfs/dbraw/zinc/76/83/74/569768374.db2.gz QOMWLDLMJPELGM-SANMLTNESA-N 1 1 483.612 5.686 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036345879 569768375 /nfs/dbraw/zinc/76/83/75/569768375.db2.gz QOMWLDLMJPELGM-SANMLTNESA-N 1 1 483.612 5.686 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036345857 569768454 /nfs/dbraw/zinc/76/84/54/569768454.db2.gz AVNXGZZPIFGHCZ-DEOSSOPVSA-N 1 1 451.611 5.278 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036345942 569768523 /nfs/dbraw/zinc/76/85/23/569768523.db2.gz KNRAFISEBOJZQW-RUZDIDTESA-N 1 1 463.622 5.279 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036345962 569768533 /nfs/dbraw/zinc/76/85/33/569768533.db2.gz PXNMFUFFOHDUTP-HSZRJFAPSA-N 1 1 469.601 5.356 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345971 569768617 /nfs/dbraw/zinc/76/86/17/569768617.db2.gz WFKZUFJFXFWWJQ-QHCPKHFHSA-N 1 1 483.628 5.746 50 0 JKAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345981 569768634 /nfs/dbraw/zinc/76/86/34/569768634.db2.gz DPEJRVGNFYGLTQ-QFIPXVFZSA-N 1 1 455.574 5.112 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345981 569768636 /nfs/dbraw/zinc/76/86/36/569768636.db2.gz DPEJRVGNFYGLTQ-QFIPXVFZSA-N 1 1 455.574 5.112 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036345920 569768659 /nfs/dbraw/zinc/76/86/59/569768659.db2.gz AVCLVGVUQHUPQH-RUZDIDTESA-N 1 1 465.638 5.527 50 0 JKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036345992 569768699 /nfs/dbraw/zinc/76/86/99/569768699.db2.gz CVTNDLMCMWYIIA-VWLOTQADSA-N 1 1 489.591 5.164 50 0 JKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036345992 569768700 /nfs/dbraw/zinc/76/87/00/569768700.db2.gz CVTNDLMCMWYIIA-VWLOTQADSA-N 1 1 489.591 5.164 50 0 JKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346016 569768772 /nfs/dbraw/zinc/76/87/72/569768772.db2.gz JFOIAFOYBOKSIL-QHCPKHFHSA-N 1 1 467.585 5.254 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346016 569768773 /nfs/dbraw/zinc/76/87/73/569768773.db2.gz JFOIAFOYBOKSIL-QHCPKHFHSA-N 1 1 467.585 5.254 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346081 569768775 /nfs/dbraw/zinc/76/87/75/569768775.db2.gz OZLHQAKUVICDEF-QHCPKHFHSA-N 1 1 467.585 5.110 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036346059 569768839 /nfs/dbraw/zinc/76/88/39/569768839.db2.gz HEIDMPYZRQGRMS-QHCPKHFHSA-N 1 1 469.601 5.358 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036346222 569769161 /nfs/dbraw/zinc/76/91/61/569769161.db2.gz SROBGHKZHWUEQB-RUZDIDTESA-N 1 1 483.628 5.604 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036346219 569769188 /nfs/dbraw/zinc/76/91/88/569769188.db2.gz XLQWLJIEIXNCLP-HHHXNRCGSA-N 1 1 487.619 6.174 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346212 569769191 /nfs/dbraw/zinc/76/91/91/569769191.db2.gz DINYZNJWZXOZFM-XMMPIXPASA-N 1 1 453.602 6.121 50 0 JKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346213 569769254 /nfs/dbraw/zinc/76/92/54/569769254.db2.gz XPAXBIYBLGQDHI-RUZDIDTESA-N 1 1 483.628 5.748 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346340 569769512 /nfs/dbraw/zinc/76/95/12/569769512.db2.gz VIULAZBSMAEKOM-AREMUKBSSA-N 1 1 471.576 5.680 50 0 JKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346317 569769533 /nfs/dbraw/zinc/76/95/33/569769533.db2.gz LFNPGAZHABVBTM-YKSBVNFPSA-N 1 1 483.628 5.889 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346399 569769726 /nfs/dbraw/zinc/76/97/26/569769726.db2.gz JTLJZKUZOYJYGL-RSXGOPAZSA-N 1 1 481.612 5.644 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346399 569769728 /nfs/dbraw/zinc/76/97/28/569769728.db2.gz JTLJZKUZOYJYGL-RSXGOPAZSA-N 1 1 481.612 5.644 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346426 569769791 /nfs/dbraw/zinc/76/97/91/569769791.db2.gz HUKBYGVYRJYPDO-RUZDIDTESA-N 1 1 481.612 5.358 50 0 JKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346419 569769794 /nfs/dbraw/zinc/76/97/94/569769794.db2.gz WXJHIVPEWPVKGJ-DEOSSOPVSA-N 1 1 467.585 5.110 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346468 569769844 /nfs/dbraw/zinc/76/98/44/569769844.db2.gz OAEQQKCOTODTDR-XMMPIXPASA-N 1 1 495.664 5.793 50 0 JKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346484 569769874 /nfs/dbraw/zinc/76/98/74/569769874.db2.gz KPJCHFIJAJZBAX-HSZRJFAPSA-N 1 1 463.622 5.922 50 0 JKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346467 569769975 /nfs/dbraw/zinc/76/99/75/569769975.db2.gz OAEQQKCOTODTDR-DEOSSOPVSA-N 1 1 495.664 5.793 50 0 JKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@@H](C)CC ZINC000036346562 569770136 /nfs/dbraw/zinc/77/01/36/569770136.db2.gz WOBFMMXUQLTEOH-AVRDEDQJSA-N 1 1 473.564 5.249 50 0 JKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346547 569770151 /nfs/dbraw/zinc/77/01/51/569770151.db2.gz VBKOQMQWZPXCRQ-RUZDIDTESA-N 1 1 491.676 5.923 50 0 JKAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346552 569770169 /nfs/dbraw/zinc/77/01/69/569770169.db2.gz XUMMMRRDOXDYIK-XMMPIXPASA-N 1 1 463.622 5.145 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346617 569770285 /nfs/dbraw/zinc/77/02/85/569770285.db2.gz ZHDMPAKBUCLVJY-HSZRJFAPSA-N 1 1 487.591 5.641 50 0 JKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346615 569770429 /nfs/dbraw/zinc/77/04/29/569770429.db2.gz ZRHGXEHGWCLBFK-QFIPXVFZSA-N 1 1 457.565 6.014 50 0 JKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346656 569770465 /nfs/dbraw/zinc/77/04/65/569770465.db2.gz LXACEASVEDFNSR-XMMPIXPASA-N 1 1 487.591 5.497 50 0 JKAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346700 569770522 /nfs/dbraw/zinc/77/05/22/569770522.db2.gz HOFNTEMVTVGZTD-XMMPIXPASA-N 1 1 487.591 5.495 50 0 JKAAMO CCCCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346676 569770608 /nfs/dbraw/zinc/77/06/08/569770608.db2.gz UNGGWZDENUHHHX-DEOSSOPVSA-N 1 1 487.591 5.641 50 0 JKAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346694 569770715 /nfs/dbraw/zinc/77/07/15/569770715.db2.gz ZKTQLNNZQBYZAS-HSZRJFAPSA-N 1 1 473.564 5.251 50 0 JKAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346694 569770716 /nfs/dbraw/zinc/77/07/16/569770716.db2.gz ZKTQLNNZQBYZAS-HSZRJFAPSA-N 1 1 473.564 5.251 50 0 JKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346774 569770828 /nfs/dbraw/zinc/77/08/28/569770828.db2.gz UWQOYRBKSBGHTC-MHZLTWQESA-N 1 1 483.656 6.249 50 0 JKAAMO CCCCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346769 569770831 /nfs/dbraw/zinc/77/08/31/569770831.db2.gz IIECWYPGCXXSFC-XMMPIXPASA-N 1 1 487.591 5.641 50 0 JKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346792 569770849 /nfs/dbraw/zinc/77/08/49/569770849.db2.gz DGBDPZRSGVKIJF-QHCPKHFHSA-N 1 1 451.611 5.043 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc3c(c2)OCCO3)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405661 569775433 /nfs/dbraw/zinc/77/54/33/569775433.db2.gz XRXVBSQYFGNTKU-LEHBWIKQSA-N 1 1 480.630 6.049 50 0 JKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000036628200 569779069 /nfs/dbraw/zinc/77/90/69/569779069.db2.gz VQWDDLPPFBNWRN-UHFFFAOYSA-N 1 1 487.607 5.667 50 0 JKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276306 569782238 /nfs/dbraw/zinc/78/22/38/569782238.db2.gz SLUROFLKXDYWOD-FIBWVYCGSA-N 1 1 488.647 6.157 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)CC(C)(C)C ZINC000037378550 569784629 /nfs/dbraw/zinc/78/46/29/569784629.db2.gz QGCMFSWMHWFCKI-UHFFFAOYSA-N 1 1 462.613 5.354 50 0 JKAAMO CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)CC(C)(C)C ZINC000037378550 569784630 /nfs/dbraw/zinc/78/46/30/569784630.db2.gz QGCMFSWMHWFCKI-UHFFFAOYSA-N 1 1 462.613 5.354 50 0 JKAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(Cc4ccccc4)nc4cc(C)c(C)cc43)cc2)CC1 ZINC000037398255 569787109 /nfs/dbraw/zinc/78/71/09/569787109.db2.gz RWXMUJFVJACDDK-UHFFFAOYSA-N 1 1 466.629 5.070 50 0 JKAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523702 569792816 /nfs/dbraw/zinc/79/28/16/569792816.db2.gz DHAGJVWJCBQOKF-ZJSXRUAMSA-N 1 1 480.546 5.191 50 0 JKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524151 569793013 /nfs/dbraw/zinc/79/30/13/569793013.db2.gz YDYMUUXDTQCDMN-XZWHSSHBSA-N 1 1 454.658 6.317 50 0 JKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524373 569793151 /nfs/dbraw/zinc/79/31/51/569793151.db2.gz FNPXVOPFENBXQK-WIOPSUGQSA-N 1 1 478.574 6.201 50 0 JKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2Cc2cccc(Cl)c2)s1 ZINC000037542043 569793840 /nfs/dbraw/zinc/79/38/40/569793840.db2.gz YIZGWXXMICILSO-UHFFFAOYSA-N 1 1 464.034 5.671 50 0 JKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037572236 569795865 /nfs/dbraw/zinc/79/58/65/569795865.db2.gz KCBYSERZWHAMRG-UHFFFAOYSA-N 1 1 476.976 5.478 50 0 JKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037572216 569795931 /nfs/dbraw/zinc/79/59/31/569795931.db2.gz DLUSZBTVNLQGJM-UHFFFAOYSA-N 1 1 486.584 5.142 50 0 JKAAMO CCc1ccc(N(C2CC[NH+](Cc3ccccc3OC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588011 569796669 /nfs/dbraw/zinc/79/66/69/569796669.db2.gz BVBPPCXILXDYLO-UHFFFAOYSA-N 1 1 464.631 5.118 50 0 JKAAMO CCc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588003 569796714 /nfs/dbraw/zinc/79/67/14/569796714.db2.gz TZCNVDAUWSDASO-UHFFFAOYSA-N 1 1 452.595 5.248 50 0 JKAAMO Cc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546258 569802753 /nfs/dbraw/zinc/80/27/53/569802753.db2.gz LTOKCGZCMYVRLW-NRFANRHFSA-N 1 1 473.436 6.486 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccc(OC)cc2)CC1 ZINC000038546344 569802977 /nfs/dbraw/zinc/80/29/77/569802977.db2.gz KPKPXKGUPFBWMG-QHCPKHFHSA-N 1 1 482.602 5.275 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(C)sc2NC(=O)c2ccco2)c2ccccc2OC)CC1 ZINC000038546349 569802987 /nfs/dbraw/zinc/80/29/87/569802987.db2.gz SWWSLPTWEABHLK-HSZRJFAPSA-N 1 1 482.602 5.275 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccsc2)c2cc(C)sc2NC(=O)c2ccco2)CC1 ZINC000038546379 569803021 /nfs/dbraw/zinc/80/30/21/569803021.db2.gz SKRJPQFZAMUGKB-FQEVSTJZSA-N 1 1 458.605 5.328 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccsc2)c2cc(C)sc2NC(=O)c2ccco2)CC1 ZINC000038546380 569803074 /nfs/dbraw/zinc/80/30/74/569803074.db2.gz SKRJPQFZAMUGKB-HXUWFJFHSA-N 1 1 458.605 5.328 50 0 JKAAMO CCOC(=O)C1CC[NH+]([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546391 569803118 /nfs/dbraw/zinc/80/31/18/569803118.db2.gz FTPNXWJKTDMZJY-DEOSSOPVSA-N 1 1 493.629 5.232 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546756 569803509 /nfs/dbraw/zinc/80/35/09/569803509.db2.gz MVDJQVJNSQZFSE-DEOSSOPVSA-N 1 1 467.704 6.139 50 0 JKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1C ZINC000038546734 569803556 /nfs/dbraw/zinc/80/35/56/569803556.db2.gz YNCZICZOTRANFD-OAQYLSRUSA-N 1 1 460.068 5.669 50 0 JKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000038547029 569803850 /nfs/dbraw/zinc/80/38/50/569803850.db2.gz TUHYGUNFZKXCKC-RUZDIDTESA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547000 569803858 /nfs/dbraw/zinc/80/38/58/569803858.db2.gz PHHIJQNUHBSBEY-NRFANRHFSA-N 1 1 471.504 6.826 50 0 JKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000038547028 569803878 /nfs/dbraw/zinc/80/38/78/569803878.db2.gz TUHYGUNFZKXCKC-VWLOTQADSA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc3c(c2)OCO3)[nH+]1 ZINC000038547453 569803908 /nfs/dbraw/zinc/80/39/08/569803908.db2.gz UOIMCVXGWVMOHS-VWLOTQADSA-N 1 1 487.581 6.106 50 0 JKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547001 569803933 /nfs/dbraw/zinc/80/39/33/569803933.db2.gz PHHIJQNUHBSBEY-OAQYLSRUSA-N 1 1 471.504 6.826 50 0 JKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(Cl)cc2)[nH+]1 ZINC000038547315 569803937 /nfs/dbraw/zinc/80/39/37/569803937.db2.gz UXTNBXNMWWCNJY-XMMPIXPASA-N 1 1 478.017 7.031 50 0 JKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000038547031 569803950 /nfs/dbraw/zinc/80/39/50/569803950.db2.gz ZMLAYIMPXCEWTK-RUZDIDTESA-N 1 1 457.599 6.531 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c1 ZINC000038547499 569803983 /nfs/dbraw/zinc/80/39/83/569803983.db2.gz HXGCGLVMNTZBIX-XMMPIXPASA-N 1 1 459.640 6.846 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(C(C)C)cc2)c1C ZINC000038547658 569804045 /nfs/dbraw/zinc/80/40/45/569804045.db2.gz UNGUWNPBNPCVJB-RUZDIDTESA-N 1 1 459.615 7.239 50 0 JKAAMO CCOc1ccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547634 569804105 /nfs/dbraw/zinc/80/41/05/569804105.db2.gz DIYJUHOSFCWRPB-DEOSSOPVSA-N 1 1 461.587 6.514 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(Br)c2)c1C ZINC000038547663 569804113 /nfs/dbraw/zinc/80/41/13/569804113.db2.gz ILAALAXEJOGJQP-QFIPXVFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(Br)cc2)c1C ZINC000038547652 569804158 /nfs/dbraw/zinc/80/41/58/569804158.db2.gz MORATWWZTOVMEK-JOCHJYFZSA-N 1 1 496.430 6.878 50 0 JKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccc2Cl)c1C ZINC000038547574 569804179 /nfs/dbraw/zinc/80/41/79/569804179.db2.gz UDTFBNGDXPUBKC-JOCHJYFZSA-N 1 1 451.979 6.769 50 0 JKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038547758 569804365 /nfs/dbraw/zinc/80/43/65/569804365.db2.gz NRKFLRXYGGVSNN-JOCHJYFZSA-N 1 1 451.979 6.714 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038547764 569804369 /nfs/dbraw/zinc/80/43/69/569804369.db2.gz MQLLKOQAMZNKKN-QFIPXVFZSA-N 1 1 451.979 6.714 50 0 JKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c(OC)c1 ZINC000038547678 569804381 /nfs/dbraw/zinc/80/43/81/569804381.db2.gz ITKALWRNWRFNAI-XMMPIXPASA-N 1 1 477.586 6.132 50 0 JKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC)cc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547915 569804563 /nfs/dbraw/zinc/80/45/63/569804563.db2.gz JKJHHXRVNSWLRU-DEOSSOPVSA-N 1 1 477.586 6.078 50 0 JKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000038547923 569804630 /nfs/dbraw/zinc/80/46/30/569804630.db2.gz TWYRDMVGEBWXBF-QHCPKHFHSA-N 1 1 461.543 5.789 50 0 JKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(F)c2)c1 ZINC000038551075 569805109 /nfs/dbraw/zinc/80/51/09/569805109.db2.gz PAXUZZAOBWBFOD-DEOSSOPVSA-N 1 1 461.562 6.516 50 0 JKAAMO CSc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 ZINC000038551105 569805139 /nfs/dbraw/zinc/80/51/39/569805139.db2.gz WAIVYALREJSBGV-VWLOTQADSA-N 1 1 489.666 7.099 50 0 JKAAMO COc1ccccc1[C@@H](Nc1cc(C)cc[nH+]1)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000038551057 569805216 /nfs/dbraw/zinc/80/52/16/569805216.db2.gz STVSZXSRNMDVRC-RUZDIDTESA-N 1 1 473.598 6.386 50 0 JKAAMO Clc1ccc(OC2=CC[N@@H+](CCCN(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000039281603 569809370 /nfs/dbraw/zinc/80/93/70/569809370.db2.gz RBYOVPBMRAJTHT-UHFFFAOYSA-N 1 1 453.413 7.190 50 0 JKAAMO C[C@@H](NC(=O)c1ccccc1Cl)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000039700178 569811018 /nfs/dbraw/zinc/81/10/18/569811018.db2.gz SOBMBKFKPQQWLD-HXOBKFHXSA-N 1 1 458.002 5.222 50 0 JKAAMO O[C@@H](CNCC1([NH+]2CCCCC2)CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039945627 569812495 /nfs/dbraw/zinc/81/24/95/569812495.db2.gz RRTHZNDSKOOBFW-SANMLTNESA-N 1 1 472.620 5.210 50 0 JKAAMO O=C(CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000042385207 569838023 /nfs/dbraw/zinc/83/80/23/569838023.db2.gz HGXDZMJXZRYSSQ-UHFFFAOYSA-N 1 1 493.879 5.524 50 0 JKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1cccc(Br)c1 ZINC000043902643 569838634 /nfs/dbraw/zinc/83/86/34/569838634.db2.gz VCPJOSLAPPPDGI-UGKGYDQZSA-N 1 1 471.395 5.123 50 0 JKAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sc(-c3ccccc3)nn21 ZINC000046032288 569842891 /nfs/dbraw/zinc/84/28/91/569842891.db2.gz WRIWPSJISKSZTH-UHFFFAOYSA-N 1 1 473.001 5.674 50 0 JKAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sc(-c3ccccc3)nn21 ZINC000046032288 569842892 /nfs/dbraw/zinc/84/28/92/569842892.db2.gz WRIWPSJISKSZTH-UHFFFAOYSA-N 1 1 473.001 5.674 50 0 JKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032311 569842944 /nfs/dbraw/zinc/84/29/44/569842944.db2.gz FUWPBMNRONJMOI-UHFFFAOYSA-N 1 1 474.630 5.410 50 0 JKAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032311 569842945 /nfs/dbraw/zinc/84/29/45/569842945.db2.gz FUWPBMNRONJMOI-UHFFFAOYSA-N 1 1 474.630 5.410 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032510 569843048 /nfs/dbraw/zinc/84/30/48/569843048.db2.gz ZGZBDAVRQUNYGS-UHFFFAOYSA-N 1 1 488.657 5.800 50 0 JKAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032510 569843049 /nfs/dbraw/zinc/84/30/49/569843049.db2.gz ZGZBDAVRQUNYGS-UHFFFAOYSA-N 1 1 488.657 5.800 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032514 569843073 /nfs/dbraw/zinc/84/30/73/569843073.db2.gz CCKTZAPGNWDFOB-UHFFFAOYSA-N 1 1 462.619 5.050 50 0 JKAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032514 569843075 /nfs/dbraw/zinc/84/30/75/569843075.db2.gz CCKTZAPGNWDFOB-UHFFFAOYSA-N 1 1 462.619 5.050 50 0 JKAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1 ZINC000046032489 569843094 /nfs/dbraw/zinc/84/30/94/569843094.db2.gz KIGCXSKGBIKGOT-UHFFFAOYSA-N 1 1 454.640 5.256 50 0 JKAAMO Cc1cnc(SCc2ccccn2)nc1[C@H]1CCC[N@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000104374192 569845379 /nfs/dbraw/zinc/84/53/79/569845379.db2.gz JZLXKIVUIFRQGM-KNQAVFIVSA-N 1 1 476.646 5.259 50 0 JKAAMO O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000104377513 569845463 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