smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4[n-]cc(S(C)(=O)=O)c43)CC2)CC1 ZINC001164613849 719024610 /nfs/dbraw/zinc/02/46/10/719024610.db2.gz HPGVLTOYNCSRIO-UHFFFAOYSA-N 1 2 435.550 1.605 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC2)C1=O ZINC001164635524 719269981 /nfs/dbraw/zinc/26/99/81/719269981.db2.gz RYPOSBKBLJIUAB-UHFFFAOYSA-N 1 2 434.541 1.583 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC2)C1=O ZINC001164635524 719269985 /nfs/dbraw/zinc/26/99/85/719269985.db2.gz RYPOSBKBLJIUAB-UHFFFAOYSA-N 1 2 434.541 1.583 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)C1=O ZINC001164644460 719283482 /nfs/dbraw/zinc/28/34/82/719283482.db2.gz KIZKQCQPFSEQKU-UHFFFAOYSA-N 1 2 436.560 1.787 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)C1=O ZINC001164644460 719283487 /nfs/dbraw/zinc/28/34/87/719283487.db2.gz KIZKQCQPFSEQKU-UHFFFAOYSA-N 1 2 436.560 1.787 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164644321 719285523 /nfs/dbraw/zinc/28/55/23/719285523.db2.gz IHHCOBCVHFXALG-UHFFFAOYSA-N 1 2 438.960 1.029 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164644321 719285527 /nfs/dbraw/zinc/28/55/27/719285527.db2.gz IHHCOBCVHFXALG-UHFFFAOYSA-N 1 2 438.960 1.029 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707088 719839479 /nfs/dbraw/zinc/83/94/79/719839479.db2.gz ZGNRKAKHWVTHEY-BFUOFWGJSA-N 1 2 426.901 1.539 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)c2c1C(=O)NC2 ZINC001164704077 719857987 /nfs/dbraw/zinc/85/79/87/719857987.db2.gz QXUISZPNSFMJLO-NSPYISDASA-N 1 2 426.876 1.350 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1N(C)CCO2 ZINC001164707864 719864914 /nfs/dbraw/zinc/86/49/14/719864914.db2.gz WKFIRYPCWVMDOT-DJJJIMSYSA-N 1 2 425.917 1.191 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC001164708147 719868327 /nfs/dbraw/zinc/86/83/27/719868327.db2.gz XREQMMAMVAAPKZ-OXJNMPFZSA-N 1 2 440.566 1.001 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)cc2C1 ZINC001164708549 719869148 /nfs/dbraw/zinc/86/91/48/719869148.db2.gz ZUCNBBYOWGUGEZ-VGSWGCGISA-N 1 2 447.536 1.224 20 0 IDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164697543 719879732 /nfs/dbraw/zinc/87/97/32/719879732.db2.gz CHOIKXGQYQGBKS-LAPQFRIASA-N 1 2 440.928 1.639 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164708390 719902873 /nfs/dbraw/zinc/90/28/73/719902873.db2.gz CAFKKZDMHJDTJD-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164708383 719904718 /nfs/dbraw/zinc/90/47/18/719904718.db2.gz BUVFDHXPDRPGCF-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO CSc1nc2c(c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n1)CCCC2 ZINC001164708686 719904749 /nfs/dbraw/zinc/90/47/49/719904749.db2.gz HCIKFUAAGKFMCP-UHFFFAOYSA-N 1 2 441.605 1.761 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164708392 719910008 /nfs/dbraw/zinc/91/00/08/719910008.db2.gz CCJPAXYHZPNXAW-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164709262 719913202 /nfs/dbraw/zinc/91/32/02/719913202.db2.gz SAQPGDFUFSQRHN-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COC(=O)c1cc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708661 719914459 /nfs/dbraw/zinc/91/44/59/719914459.db2.gz FQIYMPUHNVSBGF-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO CSc1nc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2s1 ZINC001164709287 719916729 /nfs/dbraw/zinc/91/67/29/719916729.db2.gz SJXWIDXGOVKAMT-UHFFFAOYSA-N 1 2 444.590 1.492 20 0 IDADLO COC(=O)/C=C\c1cc(C)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709100 719917325 /nfs/dbraw/zinc/91/73/25/719917325.db2.gz XVPUWHXMQJYWMY-WAYWQWQTSA-N 1 2 438.532 1.260 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164709132 719928955 /nfs/dbraw/zinc/92/89/55/719928955.db2.gz YWWNSXFCORMMBP-UHFFFAOYSA-N 1 2 433.516 1.018 20 0 IDADLO COC(=O)c1cnc(Cl)cc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702262 719929726 /nfs/dbraw/zinc/92/97/26/719929726.db2.gz DKQLKNOYXZOFQI-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703242 719933499 /nfs/dbraw/zinc/93/34/99/719933499.db2.gz JSLBMKQNSOEBMO-UHFFFAOYSA-N 1 2 439.898 1.667 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)OC(C)(C)C)ccn1)CC2 ZINC001164702285 719937145 /nfs/dbraw/zinc/93/71/45/719937145.db2.gz DTPYSDZWRIGRSF-UHFFFAOYSA-N 1 2 440.548 1.721 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164704820 719937704 /nfs/dbraw/zinc/93/77/04/719937704.db2.gz STKXYSWINGHKJN-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)cc1OCC ZINC001164720277 720246292 /nfs/dbraw/zinc/24/62/92/720246292.db2.gz TZCPEEADVOPXCH-JOCHJYFZSA-N 1 2 434.537 1.322 20 0 IDADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)cc1OCC ZINC001164720277 720246301 /nfs/dbraw/zinc/24/63/01/720246301.db2.gz TZCPEEADVOPXCH-JOCHJYFZSA-N 1 2 434.537 1.322 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)C2)C1 ZINC001164722848 720308626 /nfs/dbraw/zinc/30/86/26/720308626.db2.gz MDEYASCOJUYRGH-JLTOFOAXSA-N 1 2 439.944 1.071 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)C2)C1 ZINC001164722848 720308629 /nfs/dbraw/zinc/30/86/29/720308629.db2.gz MDEYASCOJUYRGH-JLTOFOAXSA-N 1 2 439.944 1.071 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5c(n4)OCC(=O)N5)CC3)C2=O)cs1 ZINC001164820107 720369781 /nfs/dbraw/zinc/36/97/81/720369781.db2.gz LEOIDERHTXBQTF-UHFFFAOYSA-N 1 2 442.545 1.491 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5c(n4)OCC(=O)N5)CC3)C2=O)cs1 ZINC001164820107 720369790 /nfs/dbraw/zinc/36/97/90/720369790.db2.gz LEOIDERHTXBQTF-UHFFFAOYSA-N 1 2 442.545 1.491 20 0 IDADLO COCCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164820181 720379469 /nfs/dbraw/zinc/37/94/69/720379469.db2.gz LWZMYRWPWLWTAQ-UHFFFAOYSA-N 1 2 446.577 1.580 20 0 IDADLO COCCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164820181 720379477 /nfs/dbraw/zinc/37/94/77/720379477.db2.gz LWZMYRWPWLWTAQ-UHFFFAOYSA-N 1 2 446.577 1.580 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164829044 720427031 /nfs/dbraw/zinc/42/70/31/720427031.db2.gz ZLIDLRHWGFIMGP-AWEZNQCLSA-N 1 2 431.928 1.797 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164827677 720427621 /nfs/dbraw/zinc/42/76/21/720427621.db2.gz VFMJXIUIVRKFFL-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164827527 720429198 /nfs/dbraw/zinc/42/91/98/720429198.db2.gz STHTXJQUHZKUCQ-ZDUSSCGKSA-N 1 2 449.918 1.937 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccc(F)cc31)C2 ZINC001164824074 720434437 /nfs/dbraw/zinc/43/44/37/720434437.db2.gz LRCIZYWYIWLJSF-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccncc31)C2 ZINC001164827004 720435909 /nfs/dbraw/zinc/43/59/09/720435909.db2.gz XZXFRAFDMWOTIE-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO COC(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164825178 720441210 /nfs/dbraw/zinc/44/12/10/720441210.db2.gz QLALXDFKXXIBHO-QGZVFWFLSA-N 1 2 429.521 1.363 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164825616 720441987 /nfs/dbraw/zinc/44/19/87/720441987.db2.gz SRBTYHBHXAKLLW-SFHVURJKSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cnc1Cl)C2 ZINC001164823456 720448544 /nfs/dbraw/zinc/44/85/44/720448544.db2.gz KDGCMMFXEXPMCL-ZDUSSCGKSA-N 1 2 427.336 1.970 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164822016 720448612 /nfs/dbraw/zinc/44/86/12/720448612.db2.gz BTDWEOZFYGNUPV-AWEZNQCLSA-N 1 2 431.928 1.797 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164826400 720452847 /nfs/dbraw/zinc/45/28/47/720452847.db2.gz WDLMOGIBXFKFDO-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO COc1ccc2ncc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164826356 720453341 /nfs/dbraw/zinc/45/33/41/720453341.db2.gz VXHIPRIASXLWIC-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3c1CNC3=O)C2 ZINC001164832646 720460241 /nfs/dbraw/zinc/46/02/41/720460241.db2.gz USBYGPWSLJVLAL-CQSZACIVSA-N 1 2 446.939 1.165 20 0 IDADLO CCOC(=O)c1c(C)ccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833044 720464299 /nfs/dbraw/zinc/46/42/99/720464299.db2.gz XEFIPVIJYSSNNC-SFHVURJKSA-N 1 2 443.548 1.753 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164829983 720465121 /nfs/dbraw/zinc/46/51/21/720465121.db2.gz IMAPHJOZUMAJQZ-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO Cc1noc(-c2cccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833153 720471866 /nfs/dbraw/zinc/47/18/66/720471866.db2.gz ZAUUACWLMXPEGS-KRWDZBQOSA-N 1 2 439.520 1.626 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nnco3)ccn1)C2 ZINC001164830710 720474957 /nfs/dbraw/zinc/47/49/57/720474957.db2.gz LAXFOZLNENGUTE-QGZVFWFLSA-N 1 2 425.493 1.318 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1OC1CCC1)C2 ZINC001164830419 720477621 /nfs/dbraw/zinc/47/76/21/720477621.db2.gz BNUFLSXHKDXKFH-KRWDZBQOSA-N 1 2 428.537 1.594 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)nccc1C(N)=O)C2 ZINC001164835661 720479232 /nfs/dbraw/zinc/47/92/32/720479232.db2.gz ZMDDTEJNOKVLOV-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008103 721712913 /nfs/dbraw/zinc/71/29/13/721712913.db2.gz AUNJFSPXCFSGMY-PMERELPUSA-N 1 2 435.554 1.233 20 0 IDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008103 721712917 /nfs/dbraw/zinc/71/29/17/721712917.db2.gz AUNJFSPXCFSGMY-PMERELPUSA-N 1 2 435.554 1.233 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001165015164 721765208 /nfs/dbraw/zinc/76/52/08/721765208.db2.gz MZQQRQJTLJQVJS-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001165015547 721765270 /nfs/dbraw/zinc/76/52/70/721765270.db2.gz QXIWDLRZWCTWBV-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001165014936 721765281 /nfs/dbraw/zinc/76/52/81/721765281.db2.gz JYOVNVHZXOUFHF-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001165016576 721765999 /nfs/dbraw/zinc/76/59/99/721765999.db2.gz XZEYIGBEVLLALE-SFHVURJKSA-N 1 2 434.863 1.180 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913018 721769420 /nfs/dbraw/zinc/76/94/20/721769420.db2.gz TUAOWBXZBXEJHD-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913018 721769424 /nfs/dbraw/zinc/76/94/24/721769424.db2.gz TUAOWBXZBXEJHD-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913040 721772758 /nfs/dbraw/zinc/77/27/58/721772758.db2.gz UGYHCCDFRDUYJS-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913040 721772764 /nfs/dbraw/zinc/77/27/64/721772764.db2.gz UGYHCCDFRDUYJS-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO CC(C)(C)C(=O)Nc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917563 721782471 /nfs/dbraw/zinc/78/24/71/721782471.db2.gz YCVLGRUHWHDVKR-HSZRJFAPSA-N 1 2 440.548 1.964 20 0 IDADLO CC(C)(C)C(=O)Nc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917563 721782474 /nfs/dbraw/zinc/78/24/74/721782474.db2.gz YCVLGRUHWHDVKR-HSZRJFAPSA-N 1 2 440.548 1.964 20 0 IDADLO CCOC(=O)Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917038 721786041 /nfs/dbraw/zinc/78/60/41/721786041.db2.gz WCMQRKFFIAVQHN-JOCHJYFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOC(=O)Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917038 721786043 /nfs/dbraw/zinc/78/60/43/721786043.db2.gz WCMQRKFFIAVQHN-JOCHJYFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOc1ccc(C(=O)OC)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915530 721787233 /nfs/dbraw/zinc/78/72/33/721787233.db2.gz KYWWFGJNESYKLB-HSZRJFAPSA-N 1 2 442.516 1.770 20 0 IDADLO CCOc1ccc(C(=O)OC)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915530 721787235 /nfs/dbraw/zinc/78/72/35/721787235.db2.gz KYWWFGJNESYKLB-HSZRJFAPSA-N 1 2 442.516 1.770 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914063 721791161 /nfs/dbraw/zinc/79/11/61/721791161.db2.gz AOFILNPTFWHYEP-QHCPKHFHSA-N 1 2 444.532 1.368 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914063 721791162 /nfs/dbraw/zinc/79/11/62/721791162.db2.gz AOFILNPTFWHYEP-QHCPKHFHSA-N 1 2 444.532 1.368 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3c(ncn3C)c(N3CCOCC3)n2)CC1 ZINC001164917987 721814001 /nfs/dbraw/zinc/81/40/01/721814001.db2.gz UAZYGISONZQVLM-UHFFFAOYSA-N 1 2 437.552 1.146 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001164918370 721814217 /nfs/dbraw/zinc/81/42/17/721814217.db2.gz UNORGJUQZUUFHX-UHFFFAOYSA-N 1 2 440.577 1.869 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001164917196 721818771 /nfs/dbraw/zinc/81/87/71/721818771.db2.gz DEOBGNNICXXJCS-UHFFFAOYSA-N 1 2 446.577 1.049 20 0 IDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCOCC5)[nH+]cn4)CCO3)C2)cs1 ZINC001164921617 721823718 /nfs/dbraw/zinc/82/37/18/721823718.db2.gz BPURSKSSSZGTFY-NRFANRHFSA-N 1 2 446.577 1.186 20 0 IDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCOCC5)nc[nH+]4)CCO3)C2)cs1 ZINC001164921617 721823720 /nfs/dbraw/zinc/82/37/20/721823720.db2.gz BPURSKSSSZGTFY-NRFANRHFSA-N 1 2 446.577 1.186 20 0 IDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H](CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165032923 721878472 /nfs/dbraw/zinc/87/84/72/721878472.db2.gz ICIXARLWICTKMU-INIZCTEOSA-N 1 2 432.594 1.094 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947577 721975435 /nfs/dbraw/zinc/97/54/35/721975435.db2.gz POESRWSFBPXRIO-UHFFFAOYSA-N 1 2 425.920 1.949 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947577 721975438 /nfs/dbraw/zinc/97/54/38/721975438.db2.gz POESRWSFBPXRIO-UHFFFAOYSA-N 1 2 425.920 1.949 20 0 IDADLO COC(=O)c1ncnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1OC ZINC001164948321 721982064 /nfs/dbraw/zinc/98/20/64/721982064.db2.gz KVHBDHGHVCODPB-UHFFFAOYSA-N 1 2 425.489 1.243 20 0 IDADLO COC(=O)c1ncnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1OC ZINC001164948321 721982066 /nfs/dbraw/zinc/98/20/66/721982066.db2.gz KVHBDHGHVCODPB-UHFFFAOYSA-N 1 2 425.489 1.243 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981264 722099385 /nfs/dbraw/zinc/09/93/85/722099385.db2.gz KXICAXBKMDQEKN-CVEARBPZSA-N 1 2 437.953 1.656 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981264 722099387 /nfs/dbraw/zinc/09/93/87/722099387.db2.gz KXICAXBKMDQEKN-CVEARBPZSA-N 1 2 437.953 1.656 20 0 IDADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164986685 722176190 /nfs/dbraw/zinc/17/61/90/722176190.db2.gz KVCPDMSFBAMAIM-OALUTQOASA-N 1 2 430.578 1.948 20 0 IDADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164986685 722176192 /nfs/dbraw/zinc/17/61/92/722176192.db2.gz KVCPDMSFBAMAIM-OALUTQOASA-N 1 2 430.578 1.948 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164641177 719273994 /nfs/dbraw/zinc/27/39/94/719273994.db2.gz SSQIYADBOVPDAZ-UHFFFAOYSA-N 1 2 431.537 1.290 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164641177 719273998 /nfs/dbraw/zinc/27/39/98/719273998.db2.gz SSQIYADBOVPDAZ-UHFFFAOYSA-N 1 2 431.537 1.290 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(OC)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164639111 719276361 /nfs/dbraw/zinc/27/63/61/719276361.db2.gz HNWBWHAYZJBICR-UHFFFAOYSA-N 1 2 426.521 1.307 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(OC)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164639111 719276362 /nfs/dbraw/zinc/27/63/62/719276362.db2.gz HNWBWHAYZJBICR-UHFFFAOYSA-N 1 2 426.521 1.307 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(OCc4ccccc4)cn3)CC2)C1=O ZINC001164640847 719278135 /nfs/dbraw/zinc/27/81/35/719278135.db2.gz QJZHBJFACLZICD-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(OCc4ccccc4)cn3)CC2)C1=O ZINC001164640847 719278140 /nfs/dbraw/zinc/27/81/40/719278140.db2.gz QJZHBJFACLZICD-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO CN1CC(=O)Nc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673971 719512609 /nfs/dbraw/zinc/51/26/09/719512609.db2.gz WEHLRALZVGBJDF-UHFFFAOYSA-N 1 2 426.496 1.875 20 0 IDADLO CN1CC(=O)Nc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673971 719512612 /nfs/dbraw/zinc/51/26/12/719512612.db2.gz WEHLRALZVGBJDF-UHFFFAOYSA-N 1 2 426.496 1.875 20 0 IDADLO COC(=O)c1ccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ncc2c1 ZINC001164698068 719843858 /nfs/dbraw/zinc/84/38/58/719843858.db2.gz DXFCQTQKEQMEIA-HTAPYJJXSA-N 1 2 428.489 1.649 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705090 719851640 /nfs/dbraw/zinc/85/16/40/719851640.db2.gz SSQBKZXXEJPPQR-DJJJIMSYSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705091 719851757 /nfs/dbraw/zinc/85/17/57/719851757.db2.gz SSQBKZXXEJPPQR-ORAYPTAESA-N 1 2 426.901 1.539 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1N1CCOCC1 ZINC001164705076 719855385 /nfs/dbraw/zinc/85/53/85/719855385.db2.gz SQRKTIAKGUEYLV-QRWLVFNGSA-N 1 2 439.944 1.199 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(-c2ccccc2)n1 ZINC001164705144 719859810 /nfs/dbraw/zinc/85/98/10/719859810.db2.gz TXEXFJDUIGRFDY-VGSWGCGISA-N 1 2 427.505 1.780 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1N(C)CCO2 ZINC001164707866 719865065 /nfs/dbraw/zinc/86/50/65/719865065.db2.gz WKFIRYPCWVMDOT-YJYMSZOUSA-N 1 2 425.917 1.191 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164707205 719870339 /nfs/dbraw/zinc/87/03/39/719870339.db2.gz RCRRENVOQLQILO-CXAGYDPISA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(O[C@H]2CCOC2)n1 ZINC001164698882 719879096 /nfs/dbraw/zinc/87/90/96/719879096.db2.gz FRXUQPZKIDQKPY-SIFCLUCFSA-N 1 2 440.928 1.530 20 0 IDADLO COC(=O)c1ccc2ccnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164708706 719902805 /nfs/dbraw/zinc/90/28/05/719902805.db2.gz IICMOTACXQFIGJ-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164709494 719905817 /nfs/dbraw/zinc/90/58/17/719905817.db2.gz WJOPOGUKUCDFJA-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164708886 719906127 /nfs/dbraw/zinc/90/61/27/719906127.db2.gz LYRHRLCXGAPKFR-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164708931 719910568 /nfs/dbraw/zinc/91/05/68/719910568.db2.gz NWOBNGDJAUJIMN-UHFFFAOYSA-N 1 2 430.516 1.795 20 0 IDADLO CCOC(=O)c1c(C)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164709192 719913375 /nfs/dbraw/zinc/91/33/75/719913375.db2.gz QFEATNVUZCAOOP-UHFFFAOYSA-N 1 2 440.548 1.559 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164707979 719920096 /nfs/dbraw/zinc/92/00/96/719920096.db2.gz AADJEFNIJSIHRU-UHFFFAOYSA-N 1 2 439.898 1.546 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164708305 719927369 /nfs/dbraw/zinc/92/73/69/719927369.db2.gz IINLSSHQFJXWIA-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164704190 719935884 /nfs/dbraw/zinc/93/58/84/719935884.db2.gz OUMOBVHSPYTGAT-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164703230 720047180 /nfs/dbraw/zinc/04/71/80/720047180.db2.gz JMQWYCAQKLKNQW-UHFFFAOYSA-N 1 2 433.516 1.953 20 0 IDADLO COc1cc(C)c2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164711646 720049542 /nfs/dbraw/zinc/04/95/42/720049542.db2.gz IZAJNYXWWLWVHX-UHFFFAOYSA-N 1 2 435.532 1.631 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(OC)cc4nc3Cl)C2)C1 ZINC001164718715 720240215 /nfs/dbraw/zinc/24/02/15/720240215.db2.gz HKFLWILNJLJTRE-OAQYLSRUSA-N 1 2 433.940 1.957 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(OC)cc4nc3Cl)C2)C1 ZINC001164718715 720240219 /nfs/dbraw/zinc/24/02/19/720240219.db2.gz HKFLWILNJLJTRE-OAQYLSRUSA-N 1 2 433.940 1.957 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(-c4ccccc4)n3)C2)C1 ZINC001164718983 720261679 /nfs/dbraw/zinc/26/16/79/720261679.db2.gz JTVXJNOBPCZRAV-QFIPXVFZSA-N 1 2 426.521 1.212 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(-c4ccccc4)n3)C2)C1 ZINC001164718983 720261688 /nfs/dbraw/zinc/26/16/88/720261688.db2.gz JTVXJNOBPCZRAV-QFIPXVFZSA-N 1 2 426.521 1.212 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2[nH]1 ZINC001164721853 720267152 /nfs/dbraw/zinc/26/71/52/720267152.db2.gz MHCGRVWFXLPEDH-JOCHJYFZSA-N 1 2 429.521 1.404 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2[nH]1 ZINC001164721853 720267158 /nfs/dbraw/zinc/26/71/58/720267158.db2.gz MHCGRVWFXLPEDH-JOCHJYFZSA-N 1 2 429.521 1.404 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccc(OC)c4)n3)C2)C1 ZINC001164723969 720270558 /nfs/dbraw/zinc/27/05/58/720270558.db2.gz YZISSGHIOWZDOP-QHCPKHFHSA-N 1 2 425.533 1.817 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccc(OC)c4)n3)C2)C1 ZINC001164723969 720270565 /nfs/dbraw/zinc/27/05/65/720270565.db2.gz YZISSGHIOWZDOP-QHCPKHFHSA-N 1 2 425.533 1.817 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164725483 720305358 /nfs/dbraw/zinc/30/53/58/720305358.db2.gz WCBSQAQBDKUSFE-OAQYLSRUSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164725483 720305360 /nfs/dbraw/zinc/30/53/60/720305360.db2.gz WCBSQAQBDKUSFE-OAQYLSRUSA-N 1 2 430.940 1.857 20 0 IDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)cn1 ZINC001164824083 720368611 /nfs/dbraw/zinc/36/86/11/720368611.db2.gz IOOUWLFOCWXTGG-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)cn1 ZINC001164824083 720368616 /nfs/dbraw/zinc/36/86/16/720368616.db2.gz IOOUWLFOCWXTGG-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821037 720380826 /nfs/dbraw/zinc/38/08/26/720380826.db2.gz WDTDHWMDDXFPTF-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821037 720380828 /nfs/dbraw/zinc/38/08/28/720380828.db2.gz WDTDHWMDDXFPTF-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164826041 720382156 /nfs/dbraw/zinc/38/21/56/720382156.db2.gz WIGZQWGLAYIYLH-UHFFFAOYSA-N 1 2 443.577 1.304 20 0 IDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164826041 720382161 /nfs/dbraw/zinc/38/21/61/720382161.db2.gz WIGZQWGLAYIYLH-UHFFFAOYSA-N 1 2 443.577 1.304 20 0 IDADLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1NC(C)C ZINC001164824228 720427077 /nfs/dbraw/zinc/42/70/77/720427077.db2.gz KAWCOSYRIVLTPP-QGZVFWFLSA-N 1 2 445.568 1.492 20 0 IDADLO COC(=O)c1ccc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164828017 720428632 /nfs/dbraw/zinc/42/86/32/720428632.db2.gz VMDHUXSJMFJRLO-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1Cl)C2 ZINC001164825504 720433090 /nfs/dbraw/zinc/43/30/90/720433090.db2.gz NSJWZIQGAUEFIO-CYBMUJFWSA-N 1 2 427.336 1.970 20 0 IDADLO COC(=O)c1cc(Cl)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164828130 720433946 /nfs/dbraw/zinc/43/39/46/720433946.db2.gz WJWNFLROOAWZPD-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164822401 720438083 /nfs/dbraw/zinc/43/80/83/720438083.db2.gz DSPFWMAVHCURPC-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164822404 720438288 /nfs/dbraw/zinc/43/82/88/720438288.db2.gz DSPFWMAVHCURPC-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO COc1nc2ccccc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824029 720441243 /nfs/dbraw/zinc/44/12/43/720441243.db2.gz KYUJWRDQAGABFZ-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825284 720442262 /nfs/dbraw/zinc/44/22/62/720442262.db2.gz RDHBDLFZDZWAKE-QGZVFWFLSA-N 1 2 444.536 1.148 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1COC3)C2 ZINC001164827037 720442422 /nfs/dbraw/zinc/44/24/22/720442422.db2.gz YSINMMWEGAJSHI-CQSZACIVSA-N 1 2 434.928 1.346 20 0 IDADLO COc1ccc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164825626 720444576 /nfs/dbraw/zinc/44/45/76/720444576.db2.gz SUWOHMKMQZKYGP-SFHVURJKSA-N 1 2 438.532 1.825 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3ccc(F)cc3n1)C2 ZINC001164826272 720446856 /nfs/dbraw/zinc/44/68/56/720446856.db2.gz VLGDQEUEAKKIDL-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3ccc(F)cc3n1)C2 ZINC001164826275 720446970 /nfs/dbraw/zinc/44/69/70/720446970.db2.gz VLGDQEUEAKKIDL-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ncccc3nc1Cl)C2 ZINC001164822776 720451334 /nfs/dbraw/zinc/45/13/34/720451334.db2.gz HSBAIGVDZJAGOS-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827172 720454100 /nfs/dbraw/zinc/45/41/00/720454100.db2.gz ZNCUJZXGYHPNEK-KRWDZBQOSA-N 1 2 444.536 1.148 20 0 IDADLO COC(=O)c1ccc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831810 720456703 /nfs/dbraw/zinc/45/67/03/720456703.db2.gz RCHVDBZLWRKLTP-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO CCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829324 720461323 /nfs/dbraw/zinc/46/13/23/720461323.db2.gz FQSKPPGHBPDEQU-KRWDZBQOSA-N 1 2 428.537 1.017 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCC3)n1)C2 ZINC001164831202 720464375 /nfs/dbraw/zinc/46/43/75/720464375.db2.gz NKNRWLFMQYKHMD-SFHVURJKSA-N 1 2 427.553 1.263 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164829359 720466754 /nfs/dbraw/zinc/46/67/54/720466754.db2.gz FWXVBBNGBRNYMO-CQSZACIVSA-N 1 2 431.928 1.797 20 0 IDADLO CCCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164828927 720472727 /nfs/dbraw/zinc/47/27/27/720472727.db2.gz CJTWSDAYPRPJHY-LJQANCHMSA-N 1 2 442.564 1.408 20 0 IDADLO Cc1noc(-c2cccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833156 720472758 /nfs/dbraw/zinc/47/27/58/720472758.db2.gz ZAUUACWLMXPEGS-QGZVFWFLSA-N 1 2 439.520 1.626 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001164833477 720479719 /nfs/dbraw/zinc/47/97/19/720479719.db2.gz OXMUVYZGTQIPBW-AUUYWEPGSA-N 1 2 440.907 1.444 20 0 IDADLO COc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2c1ccn2C ZINC001164830434 720480483 /nfs/dbraw/zinc/48/04/83/720480483.db2.gz BQBVKMVVBOWUNV-MRXNPFEDSA-N 1 2 441.536 1.163 20 0 IDADLO CN1CCc2nc(Cl)nc(N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)c2C1 ZINC001164861747 720896581 /nfs/dbraw/zinc/89/65/81/720896581.db2.gz YNRZOMBSBWCVIM-UHFFFAOYSA-N 1 2 426.912 1.330 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911576 721768922 /nfs/dbraw/zinc/76/89/22/721768922.db2.gz HKMULEYGDOEPPN-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911576 721768926 /nfs/dbraw/zinc/76/89/26/721768926.db2.gz HKMULEYGDOEPPN-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910713 721774959 /nfs/dbraw/zinc/77/49/59/721774959.db2.gz CANNUMNBOMSGJP-HXUWFJFHSA-N 1 2 435.887 1.476 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910713 721774964 /nfs/dbraw/zinc/77/49/64/721774964.db2.gz CANNUMNBOMSGJP-HXUWFJFHSA-N 1 2 435.887 1.476 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913338 721776038 /nfs/dbraw/zinc/77/60/38/721776038.db2.gz WYJIDRCQCUQFQD-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913338 721776040 /nfs/dbraw/zinc/77/60/40/721776040.db2.gz WYJIDRCQCUQFQD-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913339 721776481 /nfs/dbraw/zinc/77/64/81/721776481.db2.gz WYJIDRCQCUQFQD-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913339 721776487 /nfs/dbraw/zinc/77/64/87/721776487.db2.gz WYJIDRCQCUQFQD-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO COC(=O)c1cc(F)c(C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914580 721783267 /nfs/dbraw/zinc/78/32/67/721783267.db2.gz FCXBNGAKFFYWJM-JOCHJYFZSA-N 1 2 430.480 1.819 20 0 IDADLO COC(=O)c1cc(F)c(C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914580 721783269 /nfs/dbraw/zinc/78/32/69/721783269.db2.gz FCXBNGAKFFYWJM-JOCHJYFZSA-N 1 2 430.480 1.819 20 0 IDADLO CCOc1ccc(C(=O)OC)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915531 721786668 /nfs/dbraw/zinc/78/66/68/721786668.db2.gz KYWWFGJNESYKLB-QHCPKHFHSA-N 1 2 442.516 1.770 20 0 IDADLO CCOc1ccc(C(=O)OC)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915531 721786671 /nfs/dbraw/zinc/78/66/71/721786671.db2.gz KYWWFGJNESYKLB-QHCPKHFHSA-N 1 2 442.516 1.770 20 0 IDADLO CN(C)C(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913471 721795178 /nfs/dbraw/zinc/79/51/78/721795178.db2.gz DJXXCKNHJVXLFC-JOCHJYFZSA-N 1 2 445.951 1.940 20 0 IDADLO CN(C)C(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913471 721795180 /nfs/dbraw/zinc/79/51/80/721795180.db2.gz DJXXCKNHJVXLFC-JOCHJYFZSA-N 1 2 445.951 1.940 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914657 721799876 /nfs/dbraw/zinc/79/98/76/721799876.db2.gz PAVZOBQNYNHRHV-QHCPKHFHSA-N 1 2 442.516 1.388 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914657 721799880 /nfs/dbraw/zinc/79/98/80/721799880.db2.gz PAVZOBQNYNHRHV-QHCPKHFHSA-N 1 2 442.516 1.388 20 0 IDADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c12 ZINC001164941234 721939576 /nfs/dbraw/zinc/93/95/76/721939576.db2.gz GSWAUWBGPHLGAJ-IRXDYDNUSA-N 1 2 426.477 1.829 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944127 721971239 /nfs/dbraw/zinc/97/12/39/721971239.db2.gz GUZJGSUIGKPIHQ-UHFFFAOYSA-N 1 2 431.899 1.944 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944127 721971240 /nfs/dbraw/zinc/97/12/40/721971240.db2.gz GUZJGSUIGKPIHQ-UHFFFAOYSA-N 1 2 431.899 1.944 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947295 721976993 /nfs/dbraw/zinc/97/69/93/721976993.db2.gz ORSBRBHEKTZTNE-UHFFFAOYSA-N 1 2 440.544 1.836 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947295 721976995 /nfs/dbraw/zinc/97/69/95/721976995.db2.gz ORSBRBHEKTZTNE-UHFFFAOYSA-N 1 2 440.544 1.836 20 0 IDADLO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164949347 721981576 /nfs/dbraw/zinc/98/15/76/721981576.db2.gz OYOXTPDCGXUCCD-UHFFFAOYSA-N 1 2 428.924 1.461 20 0 IDADLO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164949347 721981578 /nfs/dbraw/zinc/98/15/78/721981578.db2.gz OYOXTPDCGXUCCD-UHFFFAOYSA-N 1 2 428.924 1.461 20 0 IDADLO Cn1cc(N2C[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3C2=O)cn1 ZINC001164972984 722094302 /nfs/dbraw/zinc/09/43/02/722094302.db2.gz ATEPMEVPVNRUIJ-ICSRJNTNSA-N 1 2 429.528 1.868 20 0 IDADLO Cn1cc(N2C[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3C2=O)cn1 ZINC001164972984 722094303 /nfs/dbraw/zinc/09/43/03/722094303.db2.gz ATEPMEVPVNRUIJ-ICSRJNTNSA-N 1 2 429.528 1.868 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4cc(C(=O)OC)ccc4n3)CC2)C1=O ZINC001164634736 719270096 /nfs/dbraw/zinc/27/00/96/719270096.db2.gz NDLHODYEMSXPRO-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4cc(C(=O)OC)ccc4n3)CC2)C1=O ZINC001164634736 719270100 /nfs/dbraw/zinc/27/01/00/719270100.db2.gz NDLHODYEMSXPRO-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(OCc4ccccc4)n3)CC2)C1=O ZINC001164634696 719274057 /nfs/dbraw/zinc/27/40/57/719274057.db2.gz LQGWQEIODVXWHP-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(OCc4ccccc4)n3)CC2)C1=O ZINC001164634696 719274061 /nfs/dbraw/zinc/27/40/61/719274061.db2.gz LQGWQEIODVXWHP-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4ccc(C(=O)OC)cc4cn3)CC2)C1=O ZINC001164642355 719278964 /nfs/dbraw/zinc/27/89/64/719278964.db2.gz ZTIBVWMCACDPIY-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4ccc(C(=O)OC)cc4cn3)CC2)C1=O ZINC001164642355 719278966 /nfs/dbraw/zinc/27/89/66/719278966.db2.gz ZTIBVWMCACDPIY-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6ncccn6)[C@H]5C4)c3C2)cc1 ZINC001164693611 719795198 /nfs/dbraw/zinc/79/51/98/719795198.db2.gz BIMAZUAPWSVYIP-FCHUYYIVSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6ncccn6)[C@H]5C4)c3C2)cc1 ZINC001164693611 719795205 /nfs/dbraw/zinc/79/52/05/719795205.db2.gz BIMAZUAPWSVYIP-FCHUYYIVSA-N 1 2 429.528 1.919 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703866 719839434 /nfs/dbraw/zinc/83/94/34/719839434.db2.gz QULVJDHEVXGMFN-XOBRGWDASA-N 1 2 438.550 1.608 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)c2c1C(=O)NC2 ZINC001164704079 719857822 /nfs/dbraw/zinc/85/78/22/719857822.db2.gz QXUISZPNSFMJLO-WYRIXSBYSA-N 1 2 426.876 1.350 20 0 IDADLO CCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(N2CCOCC2)n1 ZINC001164703506 719861658 /nfs/dbraw/zinc/86/16/58/719861658.db2.gz QCNVDOXHWYZISA-GCJKJVERSA-N 1 2 433.553 1.108 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2[nH]1 ZINC001164704020 719862200 /nfs/dbraw/zinc/86/22/00/719862200.db2.gz QNLWGTLEOUHSPB-OPAMFIHVSA-N 1 2 430.505 1.972 20 0 IDADLO COC(=O)c1nc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)n1 ZINC001164704916 719879261 /nfs/dbraw/zinc/87/92/61/719879261.db2.gz XGNRHVXJLZHTKY-BBATYDOGSA-N 1 2 447.319 1.803 20 0 IDADLO Cn1ccc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705544 719903263 /nfs/dbraw/zinc/90/32/63/719903263.db2.gz ZXRPKKKAHMEQKX-UHFFFAOYSA-N 1 2 428.928 1.306 20 0 IDADLO CCOC(=O)c1cc(C)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708729 719909275 /nfs/dbraw/zinc/90/92/75/719909275.db2.gz JGFXUDLZRIEGNI-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164708809 719917255 /nfs/dbraw/zinc/91/72/55/719917255.db2.gz RQGQVBBAGBPCBN-UHFFFAOYSA-N 1 2 447.543 1.739 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164708359 719918091 /nfs/dbraw/zinc/91/80/91/719918091.db2.gz ALICLXYOJXPBKQ-UHFFFAOYSA-N 1 2 439.564 1.294 20 0 IDADLO CCOCc1cnc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708597 719919462 /nfs/dbraw/zinc/91/94/62/719919462.db2.gz MIBBGHCMWYIHCT-UHFFFAOYSA-N 1 2 433.944 1.350 20 0 IDADLO CCOC(=O)c1ccc(C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164705546 719927423 /nfs/dbraw/zinc/92/74/23/719927423.db2.gz ZYLMEVTUGHHWKU-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164702910 719936373 /nfs/dbraw/zinc/93/63/73/719936373.db2.gz HQHFEKUBAFVTQB-UHFFFAOYSA-N 1 2 447.996 1.603 20 0 IDADLO Cc1sc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1C ZINC001164705321 719936470 /nfs/dbraw/zinc/93/64/70/719936470.db2.gz YLVCBVDKVYNXOX-UHFFFAOYSA-N 1 2 425.562 1.992 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164701833 719938962 /nfs/dbraw/zinc/93/89/62/719938962.db2.gz CVNQPNLTFSULJU-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164716735 720216118 /nfs/dbraw/zinc/21/61/18/720216118.db2.gz DRANGNQUUQWRME-NRFANRHFSA-N 1 2 438.956 1.885 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164716735 720216125 /nfs/dbraw/zinc/21/61/25/720216125.db2.gz DRANGNQUUQWRME-NRFANRHFSA-N 1 2 438.956 1.885 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164719390 720261811 /nfs/dbraw/zinc/26/18/11/720261811.db2.gz LWHLSGVZOMCTOP-HSZRJFAPSA-N 1 2 439.564 1.269 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164719390 720261821 /nfs/dbraw/zinc/26/18/21/720261821.db2.gz LWHLSGVZOMCTOP-HSZRJFAPSA-N 1 2 439.564 1.269 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C2)C1 ZINC001164721456 720277668 /nfs/dbraw/zinc/27/76/68/720277668.db2.gz JTKPWADUFQOUNK-GOSISDBHSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C2)C1 ZINC001164721456 720277689 /nfs/dbraw/zinc/27/76/89/720277689.db2.gz JTKPWADUFQOUNK-GOSISDBHSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)n3)C2)C1 ZINC001164723361 720307776 /nfs/dbraw/zinc/30/77/76/720307776.db2.gz OECIJOQOSWJOHL-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)n3)C2)C1 ZINC001164723361 720307783 /nfs/dbraw/zinc/30/77/83/720307783.db2.gz OECIJOQOSWJOHL-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)n3)C2)C1 ZINC001164723360 720308540 /nfs/dbraw/zinc/30/85/40/720308540.db2.gz OECIJOQOSWJOHL-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(OC)nc(Cl)n3)C2)C1 ZINC001164723360 720308546 /nfs/dbraw/zinc/30/85/46/720308546.db2.gz OECIJOQOSWJOHL-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164824782 720361597 /nfs/dbraw/zinc/36/15/97/720361597.db2.gz KYNFTBAGHKRPHD-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164824782 720361606 /nfs/dbraw/zinc/36/16/06/720361606.db2.gz KYNFTBAGHKRPHD-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5c(n4)NC(=O)CO5)CC3)C2=O)cs1 ZINC001164819687 720372882 /nfs/dbraw/zinc/37/28/82/720372882.db2.gz FWJFFAKUXBJCNX-UHFFFAOYSA-N 1 2 442.545 1.491 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5c(n4)NC(=O)CO5)CC3)C2=O)cs1 ZINC001164819687 720372885 /nfs/dbraw/zinc/37/28/85/720372885.db2.gz FWJFFAKUXBJCNX-UHFFFAOYSA-N 1 2 442.545 1.491 20 0 IDADLO CCOC(=O)c1ccc(C)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822545 720427780 /nfs/dbraw/zinc/42/77/80/720427780.db2.gz DXZAPORINXHHLX-GOSISDBHSA-N 1 2 443.548 1.753 20 0 IDADLO COC(=O)c1cnc(Cl)cc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827092 720430131 /nfs/dbraw/zinc/43/01/31/720430131.db2.gz RDYAMEQHIBVAEX-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)cc(Cl)n1)C2 ZINC001164827522 720431431 /nfs/dbraw/zinc/43/14/31/720431431.db2.gz SOSMQLRDDKPDCD-HNNXBMFYSA-N 1 2 434.928 1.020 20 0 IDADLO COC(=O)c1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828136 720431754 /nfs/dbraw/zinc/43/17/54/720431754.db2.gz WKPUOZIHFRXHMV-SFHVURJKSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1Cl)C2 ZINC001164823685 720433740 /nfs/dbraw/zinc/43/37/40/720433740.db2.gz IZHQKXNQXHRZEW-ZDUSSCGKSA-N 1 2 427.336 1.970 20 0 IDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164826425 720442852 /nfs/dbraw/zinc/44/28/52/720442852.db2.gz WHNZHDQCMXEVJC-LJQANCHMSA-N 1 2 443.548 1.753 20 0 IDADLO CSc1nc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822469 720442869 /nfs/dbraw/zinc/44/28/69/720442869.db2.gz FRBWVKZCLFQGLQ-CYBMUJFWSA-N 1 2 439.973 1.433 20 0 IDADLO COC(=O)c1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164825231 720449744 /nfs/dbraw/zinc/44/97/44/720449744.db2.gz QRGPPPKOWUQXBT-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ncsc31)C2 ZINC001164822712 720454746 /nfs/dbraw/zinc/45/47/46/720454746.db2.gz HAHWATJYZCAKRH-ZDUSSCGKSA-N 1 2 449.968 1.926 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ncsc31)C2 ZINC001164822711 720455163 /nfs/dbraw/zinc/45/51/63/720455163.db2.gz HAHWATJYZCAKRH-CYBMUJFWSA-N 1 2 449.968 1.926 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cccc(F)c31)C2 ZINC001164828907 720455485 /nfs/dbraw/zinc/45/54/85/720455485.db2.gz CDOVXKHLKZTUPW-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nncc3ccc(F)cc31)C2 ZINC001164828715 720455769 /nfs/dbraw/zinc/45/57/69/720455769.db2.gz AETAVAFJPIYWNA-KRWDZBQOSA-N 1 2 426.496 1.955 20 0 IDADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1C ZINC001164833093 720456699 /nfs/dbraw/zinc/45/66/99/720456699.db2.gz YMAFJAQIMZBGPN-SFHVURJKSA-N 1 2 443.548 1.753 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1ncn3C1CC1)C2 ZINC001164832722 720471986 /nfs/dbraw/zinc/47/19/86/720471986.db2.gz WFZUIAYTMGFUCW-MRXNPFEDSA-N 1 2 438.536 1.347 20 0 IDADLO Cc1noc(-c2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2)n1 ZINC001164832751 720472264 /nfs/dbraw/zinc/47/22/64/720472264.db2.gz WUMYPXIZZXYIOF-GOSISDBHSA-N 1 2 439.520 1.626 20 0 IDADLO COc1nnc(Cl)cc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164856899 720896841 /nfs/dbraw/zinc/89/68/41/720896841.db2.gz HSTQWIYOTIGKEB-UHFFFAOYSA-N 1 2 437.838 1.895 20 0 IDADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891886 721389824 /nfs/dbraw/zinc/38/98/24/721389824.db2.gz RIDZIZUQWWJTCH-AOMKIAJQSA-N 1 2 428.537 1.462 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)C2 ZINC001165009673 721705196 /nfs/dbraw/zinc/70/51/96/721705196.db2.gz BYSRNIVYIXBUBG-HNNXBMFYSA-N 1 2 425.541 1.264 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)C2 ZINC001165009673 721705203 /nfs/dbraw/zinc/70/52/03/721705203.db2.gz BYSRNIVYIXBUBG-HNNXBMFYSA-N 1 2 425.541 1.264 20 0 IDADLO COC(=O)C1CCN(c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)CC1 ZINC001165010064 721706906 /nfs/dbraw/zinc/70/69/06/721706906.db2.gz YFGWZVGYENRXCD-UHFFFAOYSA-N 1 2 442.568 1.708 20 0 IDADLO COC(=O)C1CCN(c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)CC1 ZINC001165010064 721706913 /nfs/dbraw/zinc/70/69/13/721706913.db2.gz YFGWZVGYENRXCD-UHFFFAOYSA-N 1 2 442.568 1.708 20 0 IDADLO COC(=O)c1ccc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164910148 721772842 /nfs/dbraw/zinc/77/28/42/721772842.db2.gz AAZOJWKFDRKZSF-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1ccc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164910148 721772850 /nfs/dbraw/zinc/77/28/50/721772850.db2.gz AAZOJWKFDRKZSF-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912488 721777785 /nfs/dbraw/zinc/77/77/85/721777785.db2.gz MLXKICWRGXLZSJ-NRFANRHFSA-N 1 2 447.923 1.348 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912488 721777786 /nfs/dbraw/zinc/77/77/86/721777786.db2.gz MLXKICWRGXLZSJ-NRFANRHFSA-N 1 2 447.923 1.348 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912489 721778113 /nfs/dbraw/zinc/77/81/13/721778113.db2.gz MLXKICWRGXLZSJ-OAQYLSRUSA-N 1 2 447.923 1.348 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912489 721778119 /nfs/dbraw/zinc/77/81/19/721778119.db2.gz MLXKICWRGXLZSJ-OAQYLSRUSA-N 1 2 447.923 1.348 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164917125 721780695 /nfs/dbraw/zinc/78/06/95/721780695.db2.gz WWJJDGAAEKKAOI-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164917125 721780701 /nfs/dbraw/zinc/78/07/01/721780701.db2.gz WWJJDGAAEKKAOI-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914101 721784198 /nfs/dbraw/zinc/78/41/98/721784198.db2.gz BQXPPAMUQQRSHW-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914101 721784202 /nfs/dbraw/zinc/78/42/02/721784202.db2.gz BQXPPAMUQQRSHW-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO Clc1ncnc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164915146 721789350 /nfs/dbraw/zinc/78/93/50/721789350.db2.gz IOMYBGPZPLAQOA-FQEVSTJZSA-N 1 2 427.896 1.576 20 0 IDADLO Clc1ncnc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164915146 721789352 /nfs/dbraw/zinc/78/93/52/721789352.db2.gz IOMYBGPZPLAQOA-FQEVSTJZSA-N 1 2 427.896 1.576 20 0 IDADLO CCCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913196 721793988 /nfs/dbraw/zinc/79/39/88/721793988.db2.gz AXYWMFTVCXTNKD-HSZRJFAPSA-N 1 2 425.533 1.724 20 0 IDADLO CCCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913196 721793992 /nfs/dbraw/zinc/79/39/92/721793992.db2.gz AXYWMFTVCXTNKD-HSZRJFAPSA-N 1 2 425.533 1.724 20 0 IDADLO CON(C)C(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914029 721797929 /nfs/dbraw/zinc/79/79/29/721797929.db2.gz KFQODTIBDMNTQH-QFIPXVFZSA-N 1 2 427.505 1.218 20 0 IDADLO CON(C)C(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914029 721797932 /nfs/dbraw/zinc/79/79/32/721797932.db2.gz KFQODTIBDMNTQH-QFIPXVFZSA-N 1 2 427.505 1.218 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947772 721969342 /nfs/dbraw/zinc/96/93/42/721969342.db2.gz RJZVKHAPUYRCIR-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947772 721969346 /nfs/dbraw/zinc/96/93/46/721969346.db2.gz RJZVKHAPUYRCIR-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@H]2C1 ZINC001164950042 721982829 /nfs/dbraw/zinc/98/28/29/721982829.db2.gz SFYOOIZHRPMSQW-NQIIRXRSSA-N 1 2 427.574 1.895 20 0 IDADLO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@H]2C1 ZINC001164950042 721982832 /nfs/dbraw/zinc/98/28/32/721982832.db2.gz SFYOOIZHRPMSQW-NQIIRXRSSA-N 1 2 427.574 1.895 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164977915 722156182 /nfs/dbraw/zinc/15/61/82/722156182.db2.gz ZHCWGMJWMRKRAX-NVXWUHKLSA-N 1 2 449.964 1.582 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164977915 722156186 /nfs/dbraw/zinc/15/61/86/722156186.db2.gz ZHCWGMJWMRKRAX-NVXWUHKLSA-N 1 2 449.964 1.582 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4ccc(C(=O)OC)cc4n3)CC2)C1=O ZINC001164636873 719269340 /nfs/dbraw/zinc/26/93/40/719269340.db2.gz YKNVMVQCTCTKBM-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4ccc(C(=O)OC)cc4n3)CC2)C1=O ZINC001164636873 719269342 /nfs/dbraw/zinc/26/93/42/719269342.db2.gz YKNVMVQCTCTKBM-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4cccc(OC)c4)n3)CC2)C1=O ZINC001164642061 719277467 /nfs/dbraw/zinc/27/74/67/719277467.db2.gz WJEQAAZNDUKZML-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4cccc(OC)c4)n3)CC2)C1=O ZINC001164642061 719277471 /nfs/dbraw/zinc/27/74/71/719277471.db2.gz WJEQAAZNDUKZML-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC2)C1=O ZINC001164641953 719278093 /nfs/dbraw/zinc/27/80/93/719278093.db2.gz VIQPHZPJLTXHNN-UHFFFAOYSA-N 1 2 438.576 1.969 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC2)C1=O ZINC001164641953 719278095 /nfs/dbraw/zinc/27/80/95/719278095.db2.gz VIQPHZPJLTXHNN-UHFFFAOYSA-N 1 2 438.576 1.969 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)Nc3cc(C)on3)CC2)C1=O ZINC001164641974 719279584 /nfs/dbraw/zinc/27/95/84/719279584.db2.gz VQIZSBAXXCNCCD-UHFFFAOYSA-N 1 2 442.520 1.390 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)Nc3cc(C)on3)CC2)C1=O ZINC001164641974 719279585 /nfs/dbraw/zinc/27/95/85/719279585.db2.gz VQIZSBAXXCNCCD-UHFFFAOYSA-N 1 2 442.520 1.390 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5OCCN(c6ncccn6)[C@H]5C4)c3C2)cc1 ZINC001164693613 719795945 /nfs/dbraw/zinc/79/59/45/719795945.db2.gz BIMAZUAPWSVYIP-VXKWHMMOSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5OCCN(c6ncccn6)[C@H]5C4)c3C2)cc1 ZINC001164693613 719795965 /nfs/dbraw/zinc/79/59/65/719795965.db2.gz BIMAZUAPWSVYIP-VXKWHMMOSA-N 1 2 429.528 1.919 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707267 719846769 /nfs/dbraw/zinc/84/67/69/719846769.db2.gz ZYKHOSGFVASOLO-BFUOFWGJSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698717 719851184 /nfs/dbraw/zinc/85/11/84/719851184.db2.gz DBOWDJSSKKHCLS-JLTOFOAXSA-N 1 2 440.928 1.468 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cc(OC)c(OC)cc2n1 ZINC001164704607 719852162 /nfs/dbraw/zinc/85/21/62/719852162.db2.gz RVHVXRMHBJVBKD-IVZQSRNASA-N 1 2 430.505 1.880 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(CO)ccc1NC(=O)C(C)(C)C ZINC001164698473 719862954 /nfs/dbraw/zinc/86/29/54/719862954.db2.gz CMNPKEZXFYEDCU-HXOBKFHXSA-N 1 2 448.564 1.791 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(CO)ccc1NC(=O)C(C)(C)C ZINC001164698476 719863083 /nfs/dbraw/zinc/86/30/83/719863083.db2.gz CMNPKEZXFYEDCU-UZUQRXQVSA-N 1 2 448.564 1.791 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC001164708148 719868415 /nfs/dbraw/zinc/86/84/15/719868415.db2.gz XREQMMAMVAAPKZ-OXQOHEQNSA-N 1 2 440.566 1.001 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164707207 719870269 /nfs/dbraw/zinc/87/02/69/719870269.db2.gz RCRRENVOQLQILO-GUYCJALGSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(O[C@@H]2CCOC2)n1 ZINC001164698881 719879014 /nfs/dbraw/zinc/87/90/14/719879014.db2.gz FRXUQPZKIDQKPY-MDOVXXIYSA-N 1 2 440.928 1.530 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164697005 719880146 /nfs/dbraw/zinc/88/01/46/719880146.db2.gz BJBGXPOTFAJMHV-VLIAUNLRSA-N 1 2 439.944 1.503 20 0 IDADLO CCc1cc2c(ncnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)s1 ZINC001164708445 719907219 /nfs/dbraw/zinc/90/72/19/719907219.db2.gz DFQKGADBWZPNFW-UHFFFAOYSA-N 1 2 425.562 1.938 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164709437 719910803 /nfs/dbraw/zinc/91/08/03/719910803.db2.gz UQHSZVUPLXTHBZ-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164708894 719910833 /nfs/dbraw/zinc/91/08/33/719910833.db2.gz MDTBZKVHQIKGBH-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708721 719911558 /nfs/dbraw/zinc/91/15/58/719911558.db2.gz IUWCXCHXECVBIT-UHFFFAOYSA-N 1 2 449.515 1.100 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164708709 719913269 /nfs/dbraw/zinc/91/32/69/719913269.db2.gz IKOVXVBVBBZLNB-UHFFFAOYSA-N 1 2 441.536 1.116 20 0 IDADLO COc1cc2c(cc1F)ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709504 719915824 /nfs/dbraw/zinc/91/58/24/719915824.db2.gz XADAZHFMYJKBEJ-UHFFFAOYSA-N 1 2 439.495 1.461 20 0 IDADLO CCOC(=O)/C=C\c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708396 719916136 /nfs/dbraw/zinc/91/61/36/719916136.db2.gz CGODLHAXJHZZKC-VURMDHGXSA-N 1 2 438.532 1.342 20 0 IDADLO COC(=O)CSc1cccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709139 719919933 /nfs/dbraw/zinc/91/99/33/719919933.db2.gz ZGYHPCALMZGYRR-UHFFFAOYSA-N 1 2 444.561 1.031 20 0 IDADLO COc1ccccc1-c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708937 719926815 /nfs/dbraw/zinc/92/68/15/719926815.db2.gz VDQKQMBJMMJFRO-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO CCc1nc2sccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708031 719930180 /nfs/dbraw/zinc/93/01/80/719930180.db2.gz ANGXJAAUQULKTH-UHFFFAOYSA-N 1 2 425.562 1.938 20 0 IDADLO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164704178 719930882 /nfs/dbraw/zinc/93/08/82/719930882.db2.gz OGJPUHPGASDDKG-UHFFFAOYSA-N 1 2 446.939 1.596 20 0 IDADLO COC(=O)c1cccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ccc21 ZINC001164708029 719932377 /nfs/dbraw/zinc/93/23/77/719932377.db2.gz AMHGREWTYLPLQT-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO CC(C)OC(=O)c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708329 719934009 /nfs/dbraw/zinc/93/40/09/719934009.db2.gz JMNRBQOZCGYXDD-UHFFFAOYSA-N 1 2 426.521 1.331 20 0 IDADLO CCOC(=O)/C=C/c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702962 719934383 /nfs/dbraw/zinc/93/43/83/719934383.db2.gz IDLZYCYQODEOQU-BQYQJAHWSA-N 1 2 438.532 1.342 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164703820 719938566 /nfs/dbraw/zinc/93/85/66/719938566.db2.gz NCONINWAABKJAY-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164704270 719939041 /nfs/dbraw/zinc/93/90/41/719939041.db2.gz QUMLPFPBPFAHHO-UHFFFAOYSA-N 1 2 449.515 1.085 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164705183 719939311 /nfs/dbraw/zinc/93/93/11/719939311.db2.gz WAEYVSRYWURHBU-UHFFFAOYSA-N 1 2 429.956 1.693 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164705491 719939338 /nfs/dbraw/zinc/93/93/38/719939338.db2.gz ZGNKBHKHMHLEDV-UHFFFAOYSA-N 1 2 433.516 1.953 20 0 IDADLO CCOC(=O)c1cc(C)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164705317 719939359 /nfs/dbraw/zinc/93/93/59/719939359.db2.gz YFVLKQZTJLVRDE-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164704153 720048605 /nfs/dbraw/zinc/04/86/05/720048605.db2.gz NYCUQEBAANRFEC-UHFFFAOYSA-N 1 2 445.955 1.579 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164716740 720214439 /nfs/dbraw/zinc/21/44/39/720214439.db2.gz DRANGNQUUQWRME-OAQYLSRUSA-N 1 2 438.956 1.885 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164716740 720214446 /nfs/dbraw/zinc/21/44/46/720214446.db2.gz DRANGNQUUQWRME-OAQYLSRUSA-N 1 2 438.956 1.885 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164717840 720215959 /nfs/dbraw/zinc/21/59/59/720215959.db2.gz JGLNNXTWSOEVOP-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164717840 720215963 /nfs/dbraw/zinc/21/59/63/720215963.db2.gz JGLNNXTWSOEVOP-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164716824 720219377 /nfs/dbraw/zinc/21/93/77/720219377.db2.gz FQVJTUVFNCJALV-DEOSSOPVSA-N 1 2 443.592 1.809 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164716824 720219390 /nfs/dbraw/zinc/21/93/90/720219390.db2.gz FQVJTUVFNCJALV-DEOSSOPVSA-N 1 2 443.592 1.809 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164717853 720222654 /nfs/dbraw/zinc/22/26/54/720222654.db2.gz JMWCDYSYNIECMI-SFHVURJKSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164717853 720222662 /nfs/dbraw/zinc/22/26/62/720222662.db2.gz JMWCDYSYNIECMI-SFHVURJKSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164718856 720228059 /nfs/dbraw/zinc/22/80/59/720228059.db2.gz NJXHAPBBQHOFMV-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164718856 720228062 /nfs/dbraw/zinc/22/80/62/720228062.db2.gz NJXHAPBBQHOFMV-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718698 720235592 /nfs/dbraw/zinc/23/55/92/720235592.db2.gz HEHNSLNWVOBCKA-NRFANRHFSA-N 1 2 438.956 1.885 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718698 720235608 /nfs/dbraw/zinc/23/56/08/720235608.db2.gz HEHNSLNWVOBCKA-NRFANRHFSA-N 1 2 438.956 1.885 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cnccc4cc3C(=O)OC)C2)C1 ZINC001164718606 720258066 /nfs/dbraw/zinc/25/80/66/720258066.db2.gz FYTRCQXDMKUAFF-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cnccc4cc3C(=O)OC)C2)C1 ZINC001164718606 720258071 /nfs/dbraw/zinc/25/80/71/720258071.db2.gz FYTRCQXDMKUAFF-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164723300 720285802 /nfs/dbraw/zinc/28/58/02/720285802.db2.gz WKFHFRQOWDIUBV-QGZVFWFLSA-N 1 2 433.887 1.262 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164723300 720285813 /nfs/dbraw/zinc/28/58/13/720285813.db2.gz WKFHFRQOWDIUBV-QGZVFWFLSA-N 1 2 433.887 1.262 20 0 IDADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1OC ZINC001164819716 720370410 /nfs/dbraw/zinc/37/04/10/720370410.db2.gz HAXMOZSWEXLYOF-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1OC ZINC001164819716 720370418 /nfs/dbraw/zinc/37/04/18/720370418.db2.gz HAXMOZSWEXLYOF-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO CNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820038 720374406 /nfs/dbraw/zinc/37/44/06/720374406.db2.gz KRDJBCKRHBFXFR-UHFFFAOYSA-N 1 2 428.562 1.519 20 0 IDADLO CNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820038 720374409 /nfs/dbraw/zinc/37/44/09/720374409.db2.gz KRDJBCKRHBFXFR-UHFFFAOYSA-N 1 2 428.562 1.519 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(-n5ccnc5)n4)CC3)C2=O)cs1 ZINC001164820699 720375169 /nfs/dbraw/zinc/37/51/69/720375169.db2.gz QSBVIGSCALAARF-UHFFFAOYSA-N 1 2 438.561 1.740 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(-n5ccnc5)n4)CC3)C2=O)cs1 ZINC001164820699 720375178 /nfs/dbraw/zinc/37/51/78/720375178.db2.gz QSBVIGSCALAARF-UHFFFAOYSA-N 1 2 438.561 1.740 20 0 IDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820571 720379238 /nfs/dbraw/zinc/37/92/38/720379238.db2.gz PUVBUKLMHOIQHN-UHFFFAOYSA-N 1 2 442.589 1.909 20 0 IDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820571 720379247 /nfs/dbraw/zinc/37/92/47/720379247.db2.gz PUVBUKLMHOIQHN-UHFFFAOYSA-N 1 2 442.589 1.909 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)nccc4C(N)=O)CC3)C2=O)cs1 ZINC001164820461 720383750 /nfs/dbraw/zinc/38/37/50/720383750.db2.gz BZNFEVSGDYCOHX-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)nccc4C(N)=O)CC3)C2=O)cs1 ZINC001164820461 720383756 /nfs/dbraw/zinc/38/37/56/720383756.db2.gz BZNFEVSGDYCOHX-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)c(Cl)cn1)C2 ZINC001164824017 720434626 /nfs/dbraw/zinc/43/46/26/720434626.db2.gz KVGQYFMNJWDBKU-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(C(N)=O)n1)C2 ZINC001164826464 720435201 /nfs/dbraw/zinc/43/52/01/720435201.db2.gz XHDSQKLAAWMJPS-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)c(Cl)cn1)C2 ZINC001164824018 720435490 /nfs/dbraw/zinc/43/54/90/720435490.db2.gz KVGQYFMNJWDBKU-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ncccc31)C2 ZINC001164823442 720438546 /nfs/dbraw/zinc/43/85/46/720438546.db2.gz JXOCXHRTXZQNSQ-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO CCOc1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822297 720443301 /nfs/dbraw/zinc/44/33/01/720443301.db2.gz CMCVLPCXOWXBOK-OAHLLOKOSA-N 1 2 436.944 1.715 20 0 IDADLO Cn1ccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164823452 720444250 /nfs/dbraw/zinc/44/42/50/720444250.db2.gz KCJGLBDACZZSBZ-OAHLLOKOSA-N 1 2 445.955 1.808 20 0 IDADLO COc1ccc2ncc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164826353 720452610 /nfs/dbraw/zinc/45/26/10/720452610.db2.gz VXHIPRIASXLWIC-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO Cc1nc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2n1C ZINC001164823407 720452625 /nfs/dbraw/zinc/45/26/25/720452625.db2.gz JFUAMCUZKJRBQD-KRWDZBQOSA-N 1 2 425.537 1.463 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccc(=O)n(C)c3n1)C2 ZINC001164826404 720454255 /nfs/dbraw/zinc/45/42/55/720454255.db2.gz WELKOPKKUQIJHA-GOSISDBHSA-N 1 2 438.532 1.120 20 0 IDADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1C ZINC001164833091 720455427 /nfs/dbraw/zinc/45/54/27/720455427.db2.gz YMAFJAQIMZBGPN-GOSISDBHSA-N 1 2 443.548 1.753 20 0 IDADLO CCOC(=O)c1ncnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164829926 720458038 /nfs/dbraw/zinc/45/80/38/720458038.db2.gz HZTIEPPDNVHHIQ-QGZVFWFLSA-N 1 2 444.536 1.148 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1C ZINC001164832766 720458500 /nfs/dbraw/zinc/45/85/00/720458500.db2.gz WVGGWNSTXXWIND-KRWDZBQOSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164829659 720459347 /nfs/dbraw/zinc/45/93/47/720459347.db2.gz GNCQVXJITHCHNE-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3c1CNC3=O)C2 ZINC001164832645 720460674 /nfs/dbraw/zinc/46/06/74/720460674.db2.gz USBYGPWSLJVLAL-AWEZNQCLSA-N 1 2 446.939 1.165 20 0 IDADLO CCN(CC)c1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829944 720463369 /nfs/dbraw/zinc/46/33/69/720463369.db2.gz IDVODTOSJKDVJR-SFHVURJKSA-N 1 2 429.569 1.509 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164829357 720466362 /nfs/dbraw/zinc/46/63/62/720466362.db2.gz FWXVBBNGBRNYMO-AWEZNQCLSA-N 1 2 431.928 1.797 20 0 IDADLO CCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832317 720469881 /nfs/dbraw/zinc/46/98/81/720469881.db2.gz UDGMLCOHFQAXEA-GOSISDBHSA-N 1 2 428.537 1.017 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nnco3)ccn1)C2 ZINC001164830708 720475714 /nfs/dbraw/zinc/47/57/14/720475714.db2.gz LAXFOZLNENGUTE-KRWDZBQOSA-N 1 2 425.493 1.318 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1OC1CCC1)C2 ZINC001164830420 720478410 /nfs/dbraw/zinc/47/84/10/720478410.db2.gz BNUFLSXHKDXKFH-QGZVFWFLSA-N 1 2 428.537 1.594 20 0 IDADLO C[C@H]1CCc2nnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834103 720479499 /nfs/dbraw/zinc/47/94/99/720479499.db2.gz ROKXDTVSHZKCSE-HKUYNNGSSA-N 1 2 426.565 1.788 20 0 IDADLO C[C@H]1CCc2nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834106 720479953 /nfs/dbraw/zinc/47/99/53/720479953.db2.gz ROKXDTVSHZKCSE-PKOBYXMFSA-N 1 2 426.565 1.788 20 0 IDADLO COc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2c1ccn2C ZINC001164830433 720480564 /nfs/dbraw/zinc/48/05/64/720480564.db2.gz BQBVKMVVBOWUNV-INIZCTEOSA-N 1 2 441.536 1.163 20 0 IDADLO NC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164858576 720895546 /nfs/dbraw/zinc/89/55/46/720895546.db2.gz LRUCGNUBOXKJJV-UHFFFAOYSA-N 1 2 449.849 1.591 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5[C@H](C4)OCCN5c4cnccn4)c3C2)cc1 ZINC001164759454 721260464 /nfs/dbraw/zinc/26/04/64/721260464.db2.gz AKDQWKJNVMUWRK-YADHBBJMSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5[C@H](C4)OCCN5c4cnccn4)c3C2)cc1 ZINC001164759454 721260466 /nfs/dbraw/zinc/26/04/66/721260466.db2.gz AKDQWKJNVMUWRK-YADHBBJMSA-N 1 2 429.528 1.919 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164898103 721525713 /nfs/dbraw/zinc/52/57/13/721525713.db2.gz HSIUAPPFTLRDSL-GOEBONIOSA-N 1 2 431.493 1.842 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164898103 721525714 /nfs/dbraw/zinc/52/57/14/721525714.db2.gz HSIUAPPFTLRDSL-GOEBONIOSA-N 1 2 431.493 1.842 20 0 IDADLO COC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1OC ZINC001164911130 721771938 /nfs/dbraw/zinc/77/19/38/721771938.db2.gz FMDZPEIQDDLCPQ-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1OC ZINC001164911130 721771939 /nfs/dbraw/zinc/77/19/39/721771939.db2.gz FMDZPEIQDDLCPQ-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911518 721779703 /nfs/dbraw/zinc/77/97/03/721779703.db2.gz GZTOAYLGRLUEJM-JOCHJYFZSA-N 1 2 443.504 1.165 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911518 721779705 /nfs/dbraw/zinc/77/97/05/721779705.db2.gz GZTOAYLGRLUEJM-JOCHJYFZSA-N 1 2 443.504 1.165 20 0 IDADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916005 721786549 /nfs/dbraw/zinc/78/65/49/721786549.db2.gz NGYNZKWLXAJCRZ-QHCPKHFHSA-N 1 2 441.532 1.935 20 0 IDADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916005 721786555 /nfs/dbraw/zinc/78/65/55/721786555.db2.gz NGYNZKWLXAJCRZ-QHCPKHFHSA-N 1 2 441.532 1.935 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(OC)c1 ZINC001164917635 721787625 /nfs/dbraw/zinc/78/76/25/721787625.db2.gz YQBOERLOWHRNNA-QHCPKHFHSA-N 1 2 442.516 1.770 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(OC)c1 ZINC001164917635 721787627 /nfs/dbraw/zinc/78/76/27/721787627.db2.gz YQBOERLOWHRNNA-QHCPKHFHSA-N 1 2 442.516 1.770 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(OC)c1 ZINC001164917633 721788010 /nfs/dbraw/zinc/78/80/10/721788010.db2.gz YQBOERLOWHRNNA-HSZRJFAPSA-N 1 2 442.516 1.770 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(OC)c1 ZINC001164917633 721788013 /nfs/dbraw/zinc/78/80/13/721788013.db2.gz YQBOERLOWHRNNA-HSZRJFAPSA-N 1 2 442.516 1.770 20 0 IDADLO Clc1ncnc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164915147 721789827 /nfs/dbraw/zinc/78/98/27/721789827.db2.gz IOMYBGPZPLAQOA-HXUWFJFHSA-N 1 2 427.896 1.576 20 0 IDADLO Clc1ncnc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164915147 721789832 /nfs/dbraw/zinc/78/98/32/721789832.db2.gz IOMYBGPZPLAQOA-HXUWFJFHSA-N 1 2 427.896 1.576 20 0 IDADLO CON(C)C(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914833 721790160 /nfs/dbraw/zinc/79/01/60/721790160.db2.gz GCKJKGCDEDAKTA-JOCHJYFZSA-N 1 2 427.505 1.218 20 0 IDADLO CON(C)C(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914833 721790163 /nfs/dbraw/zinc/79/01/63/721790163.db2.gz GCKJKGCDEDAKTA-JOCHJYFZSA-N 1 2 427.505 1.218 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914076 721790256 /nfs/dbraw/zinc/79/02/56/721790256.db2.gz BAERRHKOJIQCBJ-JOCHJYFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914076 721790259 /nfs/dbraw/zinc/79/02/59/721790259.db2.gz BAERRHKOJIQCBJ-JOCHJYFZSA-N 1 2 427.505 1.085 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914904 721791152 /nfs/dbraw/zinc/79/11/52/721791152.db2.gz HLCZJDCTKIFVLR-HSZRJFAPSA-N 1 2 441.532 1.526 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914904 721791153 /nfs/dbraw/zinc/79/11/53/721791153.db2.gz HLCZJDCTKIFVLR-HSZRJFAPSA-N 1 2 441.532 1.526 20 0 IDADLO COC(=O)CSc1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915988 721791483 /nfs/dbraw/zinc/79/14/83/721791483.db2.gz MWVPEIQEKUHHFX-JOCHJYFZSA-N 1 2 444.557 1.850 20 0 IDADLO COC(=O)CSc1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915988 721791484 /nfs/dbraw/zinc/79/14/84/721791484.db2.gz MWVPEIQEKUHHFX-JOCHJYFZSA-N 1 2 444.557 1.850 20 0 IDADLO O=c1ccccn1Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913932 721795249 /nfs/dbraw/zinc/79/52/49/721795249.db2.gz IWKIOXMYDXYOIJ-VWLOTQADSA-N 1 2 447.539 1.794 20 0 IDADLO O=c1ccccn1Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913932 721795253 /nfs/dbraw/zinc/79/52/53/721795253.db2.gz IWKIOXMYDXYOIJ-VWLOTQADSA-N 1 2 447.539 1.794 20 0 IDADLO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2N1C ZINC001164945145 721974396 /nfs/dbraw/zinc/97/43/96/721974396.db2.gz DUFOHBAIZWOABX-INIZCTEOSA-N 1 2 435.532 1.224 20 0 IDADLO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2N1C ZINC001164945145 721974399 /nfs/dbraw/zinc/97/43/99/721974399.db2.gz DUFOHBAIZWOABX-INIZCTEOSA-N 1 2 435.532 1.224 20 0 IDADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948295 721975212 /nfs/dbraw/zinc/97/52/12/721975212.db2.gz XERUGZGGCAFUIW-UHFFFAOYSA-N 1 2 449.342 1.853 20 0 IDADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948295 721975216 /nfs/dbraw/zinc/97/52/16/721975216.db2.gz XERUGZGGCAFUIW-UHFFFAOYSA-N 1 2 449.342 1.853 20 0 IDADLO Cn1cc(N2C[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3C2=O)cn1 ZINC001164972983 722094310 /nfs/dbraw/zinc/09/43/10/722094310.db2.gz ATEPMEVPVNRUIJ-AZUAARDMSA-N 1 2 429.528 1.868 20 0 IDADLO Cn1cc(N2C[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3C2=O)cn1 ZINC001164972983 722094311 /nfs/dbraw/zinc/09/43/11/722094311.db2.gz ATEPMEVPVNRUIJ-AZUAARDMSA-N 1 2 429.528 1.868 20 0 IDADLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001165004214 722260796 /nfs/dbraw/zinc/26/07/96/722260796.db2.gz OMFDFVWRAOWWIW-QFIPXVFZSA-N 1 2 426.496 1.380 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164640015 719278573 /nfs/dbraw/zinc/27/85/73/719278573.db2.gz MRQVMQZMQLLMLS-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164640015 719278578 /nfs/dbraw/zinc/27/85/78/719278578.db2.gz MRQVMQZMQLLMLS-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)C1=O ZINC001164644662 719280813 /nfs/dbraw/zinc/28/08/13/719280813.db2.gz PAAKINMAFJYTSZ-UHFFFAOYSA-N 1 2 433.887 1.357 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)C1=O ZINC001164644662 719280817 /nfs/dbraw/zinc/28/08/17/719280817.db2.gz PAAKINMAFJYTSZ-UHFFFAOYSA-N 1 2 433.887 1.357 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707092 719839346 /nfs/dbraw/zinc/83/93/46/719839346.db2.gz ZGNRKAKHWVTHEY-YJYMSZOUSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1OCC ZINC001164705980 719853579 /nfs/dbraw/zinc/85/35/79/719853579.db2.gz VTNYLWCFJMOMRO-ZHRRBRCNSA-N 1 2 435.521 1.890 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1N1CCOCC1 ZINC001164705078 719855375 /nfs/dbraw/zinc/85/53/75/719855375.db2.gz SQRKTIAKGUEYLV-YWZLYKJASA-N 1 2 439.944 1.199 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N(C)OC)cc(Cl)n1 ZINC001164703531 719856419 /nfs/dbraw/zinc/85/64/19/719856419.db2.gz QDLGPKUFDFOJRK-YWZLYKJASA-N 1 2 440.928 1.601 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(-c2ccccc2)n1 ZINC001164705143 719859788 /nfs/dbraw/zinc/85/97/88/719859788.db2.gz TXEXFJDUIGRFDY-VGOFRKELSA-N 1 2 427.505 1.780 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2[nH]1 ZINC001164704016 719862225 /nfs/dbraw/zinc/86/22/25/719862225.db2.gz QNLWGTLEOUHSPB-AOMKIAJQSA-N 1 2 430.505 1.972 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)cc2C1 ZINC001164708545 719869331 /nfs/dbraw/zinc/86/93/31/719869331.db2.gz ZUCNBBYOWGUGEZ-JTSKRJEESA-N 1 2 447.536 1.224 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)ncnc21 ZINC001164705704 719874889 /nfs/dbraw/zinc/87/48/89/719874889.db2.gz NWYHTPBUIBXXGQ-ZMZPIMSZSA-N 1 2 441.319 1.959 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698925 719880242 /nfs/dbraw/zinc/88/02/42/719880242.db2.gz GCFCZDKIPLZXDT-YJYMSZOUSA-N 1 2 425.917 1.112 20 0 IDADLO Cc1nc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)s1 ZINC001164708663 719911578 /nfs/dbraw/zinc/91/15/78/719911578.db2.gz FSHPCROOJMRNGH-UHFFFAOYSA-N 1 2 446.968 1.732 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164708367 719917050 /nfs/dbraw/zinc/91/70/50/719917050.db2.gz ATHPBZXWKDZXJQ-UHFFFAOYSA-N 1 2 436.495 1.362 20 0 IDADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2ccncc2)n1 ZINC001164708062 719921974 /nfs/dbraw/zinc/92/19/74/719921974.db2.gz BBXJZGWVPWGTCM-UHFFFAOYSA-N 1 2 432.532 1.531 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164703763 719931082 /nfs/dbraw/zinc/93/10/82/719931082.db2.gz MNSJNFPBAWCMLP-UHFFFAOYSA-N 1 2 432.891 1.434 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164703069 719932853 /nfs/dbraw/zinc/93/28/53/719932853.db2.gz INDYATMYDTWAIA-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164704188 719937302 /nfs/dbraw/zinc/93/73/02/719937302.db2.gz OQKNONNDORICDZ-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164708638 719937455 /nfs/dbraw/zinc/93/74/55/719937455.db2.gz NYTDQUAORVBHGY-UHFFFAOYSA-N 1 2 440.882 1.844 20 0 IDADLO COC(=O)c1cc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704264 719939089 /nfs/dbraw/zinc/93/90/89/719939089.db2.gz QRCCMWIUBXEXTN-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO COC(=O)c1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164701701 719939164 /nfs/dbraw/zinc/93/91/64/719939164.db2.gz AQEMKJXATXJVNA-UHFFFAOYSA-N 1 2 449.515 1.100 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164718632 720237014 /nfs/dbraw/zinc/23/70/14/720237014.db2.gz GEHGCQKDTACSLJ-NRFANRHFSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164718632 720237020 /nfs/dbraw/zinc/23/70/20/720237020.db2.gz GEHGCQKDTACSLJ-NRFANRHFSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cnccc4cc3C(=O)OC)C2)C1 ZINC001164718604 720258336 /nfs/dbraw/zinc/25/83/36/720258336.db2.gz FYTRCQXDMKUAFF-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cnccc4cc3C(=O)OC)C2)C1 ZINC001164718604 720258348 /nfs/dbraw/zinc/25/83/48/720258348.db2.gz FYTRCQXDMKUAFF-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)nc2[nH]1 ZINC001164721854 720269884 /nfs/dbraw/zinc/26/98/84/720269884.db2.gz MHCGRVWFXLPEDH-QFIPXVFZSA-N 1 2 429.521 1.404 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)nc2[nH]1 ZINC001164721854 720269891 /nfs/dbraw/zinc/26/98/91/720269891.db2.gz MHCGRVWFXLPEDH-QFIPXVFZSA-N 1 2 429.521 1.404 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3OC)C2)C1 ZINC001164720717 720277005 /nfs/dbraw/zinc/27/70/05/720277005.db2.gz CJYFPPYWSIMXAX-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3OC)C2)C1 ZINC001164720717 720277024 /nfs/dbraw/zinc/27/70/24/720277024.db2.gz CJYFPPYWSIMXAX-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(C(=O)OC)nc3Cl)C2)C1 ZINC001164723751 720307725 /nfs/dbraw/zinc/30/77/25/720307725.db2.gz OUIYQBJDRGBYMD-GOSISDBHSA-N 1 2 446.335 1.235 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(C(=O)OC)nc3Cl)C2)C1 ZINC001164723751 720307731 /nfs/dbraw/zinc/30/77/31/720307731.db2.gz OUIYQBJDRGBYMD-GOSISDBHSA-N 1 2 446.335 1.235 20 0 IDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164826498 720365051 /nfs/dbraw/zinc/36/50/51/720365051.db2.gz WIVSCLUCXPOJJZ-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164826498 720365060 /nfs/dbraw/zinc/36/50/60/720365060.db2.gz WIVSCLUCXPOJJZ-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)nc4C(N)=O)CC3)C2=O)cs1 ZINC001164821145 720373659 /nfs/dbraw/zinc/37/36/59/720373659.db2.gz XMGWBOWCKJLWJI-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)nc4C(N)=O)CC3)C2=O)cs1 ZINC001164821145 720373663 /nfs/dbraw/zinc/37/36/63/720373663.db2.gz XMGWBOWCKJLWJI-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO COCc1nc(OC)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825960 720384313 /nfs/dbraw/zinc/38/43/13/720384313.db2.gz WDONKBCTBLNGAC-UHFFFAOYSA-N 1 2 446.577 1.710 20 0 IDADLO COCc1nc(OC)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825960 720384317 /nfs/dbraw/zinc/38/43/17/720384317.db2.gz WDONKBCTBLNGAC-UHFFFAOYSA-N 1 2 446.577 1.710 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C(N)=O)C2 ZINC001164822050 720433258 /nfs/dbraw/zinc/43/32/58/720433258.db2.gz BZRKAZIUMVICPI-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164825171 720435600 /nfs/dbraw/zinc/43/56/00/720435600.db2.gz QKHJCPZYISYHLE-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO CCOC(=O)Cc1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824525 720437117 /nfs/dbraw/zinc/43/71/17/720437117.db2.gz NOFDPMHVZZQVJY-LJQANCHMSA-N 1 2 443.548 1.373 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826252 720437826 /nfs/dbraw/zinc/43/78/26/720437826.db2.gz VFLGBIFDLHFJID-MRXNPFEDSA-N 1 2 447.511 1.584 20 0 IDADLO COc1cccc2c1ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826427 720439753 /nfs/dbraw/zinc/43/97/53/720439753.db2.gz WIQPVDMCRCJIDY-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO COc1cccc2c1ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826429 720439869 /nfs/dbraw/zinc/43/98/69/720439869.db2.gz WIQPVDMCRCJIDY-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CCOC(=O)c1cc(C)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824640 720453612 /nfs/dbraw/zinc/45/36/12/720453612.db2.gz OKBAJGSYMFPMCY-GOSISDBHSA-N 1 2 443.548 1.753 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nncc3ccc(F)cc31)C2 ZINC001164828718 720455970 /nfs/dbraw/zinc/45/59/70/720455970.db2.gz AETAVAFJPIYWNA-QGZVFWFLSA-N 1 2 426.496 1.955 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829872 720458841 /nfs/dbraw/zinc/45/88/41/720458841.db2.gz HMPAHRMWKJIVLB-KRWDZBQOSA-N 1 2 444.584 1.247 20 0 IDADLO COC(=O)c1cc(C)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831300 720460861 /nfs/dbraw/zinc/46/08/61/720460861.db2.gz OKFOUWWDCKDMJB-QGZVFWFLSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3cc(F)ccc3n1)C2 ZINC001164829181 720463809 /nfs/dbraw/zinc/46/38/09/720463809.db2.gz DEMIWVRLQRNKGY-KRWDZBQOSA-N 1 2 426.496 1.955 20 0 IDADLO Cc1cn(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cn1 ZINC001164828814 720464110 /nfs/dbraw/zinc/46/41/10/720464110.db2.gz BAFMRCMGHOQOLZ-GOSISDBHSA-N 1 2 438.536 1.157 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3ncc(F)cc3n1)C2 ZINC001164828774 720466261 /nfs/dbraw/zinc/46/62/61/720466261.db2.gz ANNWYSGCAWOUNN-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO COc1nnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC001164829844 720471151 /nfs/dbraw/zinc/47/11/51/720471151.db2.gz HGMARJGDLSDVPO-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO COc1cccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164833034 720472274 /nfs/dbraw/zinc/47/22/74/720472274.db2.gz WVVOSUGLEYAKRA-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CC(C)OC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831459 720479266 /nfs/dbraw/zinc/47/92/66/720479266.db2.gz GCLPFTUQZVVAFF-GOSISDBHSA-N 1 2 443.548 1.833 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164834810 720483936 /nfs/dbraw/zinc/48/39/36/720483936.db2.gz VHHJHSXCVUKFED-IFXJQAMLSA-N 1 2 440.907 1.444 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164834809 720484033 /nfs/dbraw/zinc/48/40/33/720484033.db2.gz VHHJHSXCVUKFED-AUUYWEPGSA-N 1 2 440.907 1.444 20 0 IDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164856925 720896067 /nfs/dbraw/zinc/89/60/67/720896067.db2.gz IDLNZRQKXHKWRJ-UHFFFAOYSA-N 1 2 437.838 1.809 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001165008537 721713590 /nfs/dbraw/zinc/71/35/90/721713590.db2.gz GLGVTWHUEMBJMG-UHFFFAOYSA-N 1 2 433.582 1.708 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001165008537 721713596 /nfs/dbraw/zinc/71/35/96/721713596.db2.gz GLGVTWHUEMBJMG-UHFFFAOYSA-N 1 2 433.582 1.708 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001165014738 721765565 /nfs/dbraw/zinc/76/55/65/721765565.db2.gz IGIOXFRHMGWROQ-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1OC ZINC001164913569 721771839 /nfs/dbraw/zinc/77/18/39/721771839.db2.gz XMULBQKNILFYFI-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1OC ZINC001164913569 721771845 /nfs/dbraw/zinc/77/18/45/721771845.db2.gz XMULBQKNILFYFI-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917765 721783215 /nfs/dbraw/zinc/78/32/15/721783215.db2.gz ZALNTZJXZAZEJH-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917765 721783217 /nfs/dbraw/zinc/78/32/17/721783217.db2.gz ZALNTZJXZAZEJH-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO CNC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164914890 721788084 /nfs/dbraw/zinc/78/80/84/721788084.db2.gz HDKBHBBTCDDRJB-NRFANRHFSA-N 1 2 431.924 1.597 20 0 IDADLO CNC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164914890 721788091 /nfs/dbraw/zinc/78/80/91/721788091.db2.gz HDKBHBBTCDDRJB-NRFANRHFSA-N 1 2 431.924 1.597 20 0 IDADLO CCCNC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913197 721793716 /nfs/dbraw/zinc/79/37/16/721793716.db2.gz AXYWMFTVCXTNKD-QHCPKHFHSA-N 1 2 425.533 1.724 20 0 IDADLO CCCNC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913197 721793718 /nfs/dbraw/zinc/79/37/18/721793718.db2.gz AXYWMFTVCXTNKD-QHCPKHFHSA-N 1 2 425.533 1.724 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)cc2C1 ZINC001164917848 721819464 /nfs/dbraw/zinc/81/94/64/721819464.db2.gz JPNAMMANXVFHSQ-UHFFFAOYSA-N 1 2 425.537 1.937 20 0 IDADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCSCC4)nc[nH+]2)CC3)n1 ZINC001164936072 721909281 /nfs/dbraw/zinc/90/92/81/721909281.db2.gz UVRPASIOIHTMJX-UHFFFAOYSA-N 1 2 429.594 1.635 20 0 IDADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)n1 ZINC001164936072 721909285 /nfs/dbraw/zinc/90/92/85/721909285.db2.gz UVRPASIOIHTMJX-UHFFFAOYSA-N 1 2 429.594 1.635 20 0 IDADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949840 721980285 /nfs/dbraw/zinc/98/02/85/721980285.db2.gz QPXFSSRVJBDMRD-UHFFFAOYSA-N 1 2 449.964 1.353 20 0 IDADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949840 721980286 /nfs/dbraw/zinc/98/02/86/721980286.db2.gz QPXFSSRVJBDMRD-UHFFFAOYSA-N 1 2 449.964 1.353 20 0 IDADLO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981080 722119360 /nfs/dbraw/zinc/11/93/60/722119360.db2.gz SKCIOZFZLATVSC-IRXDYDNUSA-N 1 2 433.534 1.011 20 0 IDADLO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981080 722119363 /nfs/dbraw/zinc/11/93/63/722119363.db2.gz SKCIOZFZLATVSC-IRXDYDNUSA-N 1 2 433.534 1.011 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4cc3C(=O)OC)CC2)C1=O ZINC001164638263 719277366 /nfs/dbraw/zinc/27/73/66/719277366.db2.gz FFOOYHONPAAWJI-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4cc3C(=O)OC)CC2)C1=O ZINC001164638263 719277369 /nfs/dbraw/zinc/27/73/69/719277369.db2.gz FFOOYHONPAAWJI-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)c(C(=O)OC)c3OC)CC2)C1=O ZINC001164639142 719278891 /nfs/dbraw/zinc/27/88/91/719278891.db2.gz ICBXIOMDQCIXIC-UHFFFAOYSA-N 1 2 440.928 1.290 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)c(C(=O)OC)c3OC)CC2)C1=O ZINC001164639142 719278893 /nfs/dbraw/zinc/27/88/93/719278893.db2.gz ICBXIOMDQCIXIC-UHFFFAOYSA-N 1 2 440.928 1.290 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc([C@H](CC(=O)OC)C4CC4)ccn3)CC2)C1=O ZINC001164642084 719279361 /nfs/dbraw/zinc/27/93/61/719279361.db2.gz WOZDEIYKVCYWII-HXUWFJFHSA-N 1 2 444.576 1.898 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc([C@H](CC(=O)OC)C4CC4)ccn3)CC2)C1=O ZINC001164642084 719279362 /nfs/dbraw/zinc/27/93/62/719279362.db2.gz WOZDEIYKVCYWII-HXUWFJFHSA-N 1 2 444.576 1.898 20 0 IDADLO COC(=O)c1ccc2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ncc2c1 ZINC001164698069 719843729 /nfs/dbraw/zinc/84/37/29/719843729.db2.gz DXFCQTQKEQMEIA-JTSKRJEESA-N 1 2 428.489 1.649 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707268 719846670 /nfs/dbraw/zinc/84/66/70/719846670.db2.gz ZYKHOSGFVASOLO-DJJJIMSYSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698719 719851262 /nfs/dbraw/zinc/85/12/62/719851262.db2.gz DBOWDJSSKKHCLS-VLIAUNLRSA-N 1 2 440.928 1.468 20 0 IDADLO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698720 719851418 /nfs/dbraw/zinc/85/14/18/719851418.db2.gz DBOWDJSSKKHCLS-XOBRGWDASA-N 1 2 440.928 1.468 20 0 IDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705114 719855621 /nfs/dbraw/zinc/85/56/21/719855621.db2.gz SWMOFJNSCSVUJI-VBKZILBWSA-N 1 2 440.928 1.468 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)Nc1cc(C)on1 ZINC001164707986 719867008 /nfs/dbraw/zinc/86/70/08/719867008.db2.gz XCJPWSJPNOSVJW-KSFYIVLOSA-N 1 2 443.504 1.863 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001164705741 719870486 /nfs/dbraw/zinc/87/04/86/719870486.db2.gz OJMFYOMNASCKIB-AUSIDOKSSA-N 1 2 426.517 1.524 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164708899 719908007 /nfs/dbraw/zinc/90/80/07/719908007.db2.gz MIJTZLIEXBNZAQ-UHFFFAOYSA-N 1 2 440.548 1.721 20 0 IDADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)c1 ZINC001164708678 719910898 /nfs/dbraw/zinc/91/08/98/719910898.db2.gz GQOCWZCXCRDKAL-UHFFFAOYSA-N 1 2 446.939 1.596 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164708987 719912589 /nfs/dbraw/zinc/91/25/89/719912589.db2.gz OQYMLKRJQADJAX-UHFFFAOYSA-N 1 2 439.898 1.546 20 0 IDADLO COc1ccccc1-c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708619 719924733 /nfs/dbraw/zinc/92/47/33/719924733.db2.gz NIXQOGVPSVUUQV-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO COc1ccc(-c2cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncn2)cc1 ZINC001164708933 719925923 /nfs/dbraw/zinc/92/59/23/719925923.db2.gz VBKNBWIPMFLLOZ-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164708066 719932239 /nfs/dbraw/zinc/93/22/39/719932239.db2.gz BFODLWCSJSNGBL-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164708301 719933383 /nfs/dbraw/zinc/93/33/83/719933383.db2.gz IAXFMRSOVYMNSW-UHFFFAOYSA-N 1 2 448.531 1.693 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164704177 719939353 /nfs/dbraw/zinc/93/93/53/719939353.db2.gz OFEXPEJAIVTTQE-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164712050 720049750 /nfs/dbraw/zinc/04/97/50/720049750.db2.gz JMLRSPCWZOWUHZ-UHFFFAOYSA-N 1 2 429.956 1.693 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4cc(C(=O)OC)ccc4n3)C2)C1 ZINC001164720148 720222572 /nfs/dbraw/zinc/22/25/72/720222572.db2.gz WMWWWLWCRKKYDN-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4cc(C(=O)OC)ccc4n3)C2)C1 ZINC001164720148 720222579 /nfs/dbraw/zinc/22/25/79/720222579.db2.gz WMWWWLWCRKKYDN-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164718857 720227047 /nfs/dbraw/zinc/22/70/47/720227047.db2.gz NJXHAPBBQHOFMV-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164718857 720227057 /nfs/dbraw/zinc/22/70/57/720227057.db2.gz NJXHAPBBQHOFMV-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164717517 720265895 /nfs/dbraw/zinc/26/58/95/720265895.db2.gz ACJJORWKAQCKBY-SFHVURJKSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164717517 720265905 /nfs/dbraw/zinc/26/59/05/720265905.db2.gz ACJJORWKAQCKBY-SFHVURJKSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccc(OC)c4)n3)C2)C1 ZINC001164723965 720269218 /nfs/dbraw/zinc/26/92/18/720269218.db2.gz YZISSGHIOWZDOP-HSZRJFAPSA-N 1 2 425.533 1.817 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccc(OC)c4)n3)C2)C1 ZINC001164723965 720269228 /nfs/dbraw/zinc/26/92/28/720269228.db2.gz YZISSGHIOWZDOP-HSZRJFAPSA-N 1 2 425.533 1.817 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3OC)C2)C1 ZINC001164720716 720278486 /nfs/dbraw/zinc/27/84/86/720278486.db2.gz CJYFPPYWSIMXAX-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3OC)C2)C1 ZINC001164720716 720278498 /nfs/dbraw/zinc/27/84/98/720278498.db2.gz CJYFPPYWSIMXAX-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)Nc3cc(C)on3)C2)C1 ZINC001164722279 720283490 /nfs/dbraw/zinc/28/34/90/720283490.db2.gz PGSXTJXARCJELU-JOCHJYFZSA-N 1 2 442.520 1.295 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)Nc3cc(C)on3)C2)C1 ZINC001164722279 720283494 /nfs/dbraw/zinc/28/34/94/720283494.db2.gz PGSXTJXARCJELU-JOCHJYFZSA-N 1 2 442.520 1.295 20 0 IDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164826849 720360900 /nfs/dbraw/zinc/36/09/00/720360900.db2.gz ZSSFETDDFYSBOJ-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164826849 720360912 /nfs/dbraw/zinc/36/09/12/720360912.db2.gz ZSSFETDDFYSBOJ-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)cc4C(N)=O)CC3)C2=O)cs1 ZINC001164825782 720361540 /nfs/dbraw/zinc/36/15/40/720361540.db2.gz UQRLOMSKJRMNOQ-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)cc4C(N)=O)CC3)C2=O)cs1 ZINC001164825782 720361550 /nfs/dbraw/zinc/36/15/50/720361550.db2.gz UQRLOMSKJRMNOQ-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823209 720362962 /nfs/dbraw/zinc/36/29/62/720362962.db2.gz BZMYFXWOECLDEE-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823209 720362966 /nfs/dbraw/zinc/36/29/66/720362966.db2.gz BZMYFXWOECLDEE-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164824808 720363451 /nfs/dbraw/zinc/36/34/51/720363451.db2.gz MMAMIKPKUSNJJB-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164824808 720363459 /nfs/dbraw/zinc/36/34/59/720363459.db2.gz MMAMIKPKUSNJJB-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164824024 720367969 /nfs/dbraw/zinc/36/79/69/720367969.db2.gz HIQOWMWDPRKOPG-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164824024 720367976 /nfs/dbraw/zinc/36/79/76/720367976.db2.gz HIQOWMWDPRKOPG-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO CCn1cnc2c1ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820751 720379488 /nfs/dbraw/zinc/37/94/88/720379488.db2.gz SXRACGHRDWFIRJ-UHFFFAOYSA-N 1 2 440.577 1.924 20 0 IDADLO CCn1cnc2c1ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820751 720379496 /nfs/dbraw/zinc/37/94/96/720379496.db2.gz SXRACGHRDWFIRJ-UHFFFAOYSA-N 1 2 440.577 1.924 20 0 IDADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164822038 720429503 /nfs/dbraw/zinc/42/95/03/720429503.db2.gz APGKOVORPVXUGC-SFHVURJKSA-N 1 2 443.548 1.753 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3nc[nH]c31)C2 ZINC001164824195 720430322 /nfs/dbraw/zinc/43/03/22/720430322.db2.gz JPYLCDQZZLUCBK-ZDUSSCGKSA-N 1 2 432.916 1.192 20 0 IDADLO CCOC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822085 720431404 /nfs/dbraw/zinc/43/14/04/720431404.db2.gz BAMOEZQENBKGPK-QGZVFWFLSA-N 1 2 429.521 1.444 20 0 IDADLO CCOC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822083 720431948 /nfs/dbraw/zinc/43/19/48/720431948.db2.gz BAMOEZQENBKGPK-KRWDZBQOSA-N 1 2 429.521 1.444 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C(N)=O)C2 ZINC001164822054 720433102 /nfs/dbraw/zinc/43/31/02/720433102.db2.gz BZRKAZIUMVICPI-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO COC(=O)c1c(Cl)ccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825339 720433412 /nfs/dbraw/zinc/43/34/12/720433412.db2.gz RGRQTVYJMFTAQK-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO COC(=O)c1c(Cl)ccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825342 720434175 /nfs/dbraw/zinc/43/41/75/720434175.db2.gz RGRQTVYJMFTAQK-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1C(N)=O)C2 ZINC001164827099 720434891 /nfs/dbraw/zinc/43/48/91/720434891.db2.gz ZALAEYYVBBZTOF-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164825368 720436633 /nfs/dbraw/zinc/43/66/33/720436633.db2.gz RPCMEIXCVMUBMZ-CQSZACIVSA-N 1 2 431.928 1.749 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cnccc31)C2 ZINC001164824686 720443731 /nfs/dbraw/zinc/44/37/31/720443731.db2.gz PMVGPVAZZSDBOJ-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO CCOC(=O)c1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822442 720445509 /nfs/dbraw/zinc/44/55/09/720445509.db2.gz FDTDPTVWMQOFPT-QGZVFWFLSA-N 1 2 429.521 1.444 20 0 IDADLO COc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164823425 720451901 /nfs/dbraw/zinc/45/19/01/720451901.db2.gz JPTUVTWEBGYZHA-HNNXBMFYSA-N 1 2 434.566 1.393 20 0 IDADLO CCOC(=O)Cc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164822728 720452572 /nfs/dbraw/zinc/45/25/72/720452572.db2.gz HEEISLIOVBVYIN-LJQANCHMSA-N 1 2 443.548 1.373 20 0 IDADLO Cc1nc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2n1C ZINC001164823408 720453594 /nfs/dbraw/zinc/45/35/94/720453594.db2.gz JFUAMCUZKJRBQD-QGZVFWFLSA-N 1 2 425.537 1.463 20 0 IDADLO C=C(OCC)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822390 720453637 /nfs/dbraw/zinc/45/36/37/720453637.db2.gz DKSKOEGRMZKZED-GOSISDBHSA-N 1 2 428.537 1.670 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827176 720454115 /nfs/dbraw/zinc/45/41/15/720454115.db2.gz ZNCUJZXGYHPNEK-QGZVFWFLSA-N 1 2 444.536 1.148 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1C(N)=O)C2 ZINC001164823493 720454208 /nfs/dbraw/zinc/45/42/08/720454208.db2.gz KPGGIZRFOXVMMO-CQSZACIVSA-N 1 2 434.928 1.020 20 0 IDADLO C[C@@H]1CC(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164824714 720454469 /nfs/dbraw/zinc/45/44/69/720454469.db2.gz PRJNELXIOCJDLG-CVEARBPZSA-N 1 2 441.536 1.108 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1C(N)=O)C2 ZINC001164823492 720455095 /nfs/dbraw/zinc/45/50/95/720455095.db2.gz KPGGIZRFOXVMMO-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO COc1cccc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164828812 720456281 /nfs/dbraw/zinc/45/62/81/720456281.db2.gz BAEQDHBPIJPYFF-SFHVURJKSA-N 1 2 438.532 1.825 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164829165 720458941 /nfs/dbraw/zinc/45/89/41/720458941.db2.gz CZIKKNDLCRYPQL-IBGZPJMESA-N 1 2 435.532 1.725 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829879 720459731 /nfs/dbraw/zinc/45/97/31/720459731.db2.gz HMPAHRMWKJIVLB-QGZVFWFLSA-N 1 2 444.584 1.247 20 0 IDADLO Cc1cn(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cn1 ZINC001164828816 720463716 /nfs/dbraw/zinc/46/37/16/720463716.db2.gz BAFMRCMGHOQOLZ-SFHVURJKSA-N 1 2 438.536 1.157 20 0 IDADLO CCOC(=O)c1c(C)ccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833043 720464459 /nfs/dbraw/zinc/46/44/59/720464459.db2.gz XEFIPVIJYSSNNC-GOSISDBHSA-N 1 2 443.548 1.753 20 0 IDADLO Cc1noc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2)n1 ZINC001164831774 720472110 /nfs/dbraw/zinc/47/21/10/720472110.db2.gz QEVOVRZVHVPLHY-SFHVURJKSA-N 1 2 439.520 1.626 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1ncn3C1CC1)C2 ZINC001164832720 720472851 /nfs/dbraw/zinc/47/28/51/720472851.db2.gz WFZUIAYTMGFUCW-INIZCTEOSA-N 1 2 438.536 1.347 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)nccc1C(N)=O)C2 ZINC001164835659 720479164 /nfs/dbraw/zinc/47/91/64/720479164.db2.gz ZMDDTEJNOKVLOV-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO COc1nc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164860040 720896247 /nfs/dbraw/zinc/89/62/47/720896247.db2.gz RZAADFBFQGEKAG-UHFFFAOYSA-N 1 2 437.838 1.895 20 0 IDADLO COc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc(Cl)n1 ZINC001164860211 720896703 /nfs/dbraw/zinc/89/67/03/720896703.db2.gz UHPRCHXQCPKVBB-UHFFFAOYSA-N 1 2 437.838 1.895 20 0 IDADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891888 721389847 /nfs/dbraw/zinc/38/98/47/721389847.db2.gz RIDZIZUQWWJTCH-OPAMFIHVSA-N 1 2 428.537 1.462 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164898108 721525186 /nfs/dbraw/zinc/52/51/86/721525186.db2.gz HSIUAPPFTLRDSL-ZBFHGGJFSA-N 1 2 431.493 1.842 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164898108 721525189 /nfs/dbraw/zinc/52/51/89/721525189.db2.gz HSIUAPPFTLRDSL-ZBFHGGJFSA-N 1 2 431.493 1.842 20 0 IDADLO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800311 721594994 /nfs/dbraw/zinc/59/49/94/721594994.db2.gz OXZCMNMWCFNCLH-VJBWXMMDSA-N 1 2 449.555 1.630 20 0 IDADLO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800311 721594995 /nfs/dbraw/zinc/59/49/95/721594995.db2.gz OXZCMNMWCFNCLH-VJBWXMMDSA-N 1 2 449.555 1.630 20 0 IDADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C(=O)OCC ZINC001165010274 721698888 /nfs/dbraw/zinc/69/88/88/721698888.db2.gz GNKIJRKAFYEKQO-UHFFFAOYSA-N 1 2 445.524 1.672 20 0 IDADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C(=O)OCC ZINC001165010274 721698890 /nfs/dbraw/zinc/69/88/90/721698890.db2.gz GNKIJRKAFYEKQO-UHFFFAOYSA-N 1 2 445.524 1.672 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001165008926 721708845 /nfs/dbraw/zinc/70/88/45/721708845.db2.gz LMFNPKMWPPOZEY-UHFFFAOYSA-N 1 2 433.582 1.708 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001165008926 721708847 /nfs/dbraw/zinc/70/88/47/721708847.db2.gz LMFNPKMWPPOZEY-UHFFFAOYSA-N 1 2 433.582 1.708 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001165016575 721765835 /nfs/dbraw/zinc/76/58/35/721765835.db2.gz XZEYIGBEVLLALE-GOSISDBHSA-N 1 2 434.863 1.180 20 0 IDADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCCC1 ZINC001164913327 721767528 /nfs/dbraw/zinc/76/75/28/721767528.db2.gz WVDBKPLAIGIQQA-XMMPIXPASA-N 1 2 437.544 1.820 20 0 IDADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCCC1 ZINC001164913327 721767531 /nfs/dbraw/zinc/76/75/31/721767531.db2.gz WVDBKPLAIGIQQA-XMMPIXPASA-N 1 2 437.544 1.820 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911580 721769297 /nfs/dbraw/zinc/76/92/97/721769297.db2.gz HKMULEYGDOEPPN-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911580 721769301 /nfs/dbraw/zinc/76/93/01/721769301.db2.gz HKMULEYGDOEPPN-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911916 721772423 /nfs/dbraw/zinc/77/24/23/721772423.db2.gz IHEKGWWLGJEYRK-QFIPXVFZSA-N 1 2 430.480 1.900 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911916 721772427 /nfs/dbraw/zinc/77/24/27/721772427.db2.gz IHEKGWWLGJEYRK-QFIPXVFZSA-N 1 2 430.480 1.900 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912847 721774949 /nfs/dbraw/zinc/77/49/49/721774949.db2.gz QTHJVYZVWNPLIX-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912847 721774951 /nfs/dbraw/zinc/77/49/51/721774951.db2.gz QTHJVYZVWNPLIX-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1ncnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164916316 721785635 /nfs/dbraw/zinc/78/56/35/721785635.db2.gz PRJIXEUWSJGEJS-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1ncnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164916316 721785636 /nfs/dbraw/zinc/78/56/36/721785636.db2.gz PRJIXEUWSJGEJS-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914131 721787896 /nfs/dbraw/zinc/78/78/96/721787896.db2.gz BZBGTDGBUXUWKC-NRFANRHFSA-N 1 2 429.908 1.481 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914131 721787899 /nfs/dbraw/zinc/78/78/99/721787899.db2.gz BZBGTDGBUXUWKC-NRFANRHFSA-N 1 2 429.908 1.481 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164917485 721791836 /nfs/dbraw/zinc/79/18/36/721791836.db2.gz XLGTWBCNSFHAJS-OAQYLSRUSA-N 1 2 446.939 1.461 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164917485 721791841 /nfs/dbraw/zinc/79/18/41/721791841.db2.gz XLGTWBCNSFHAJS-OAQYLSRUSA-N 1 2 446.939 1.461 20 0 IDADLO CCOC(=O)c1cnc(CC)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915728 721798562 /nfs/dbraw/zinc/79/85/62/721798562.db2.gz YZKVKYGQPKRXQW-HSZRJFAPSA-N 1 2 441.532 1.719 20 0 IDADLO CCOC(=O)c1cnc(CC)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915728 721798565 /nfs/dbraw/zinc/79/85/65/721798565.db2.gz YZKVKYGQPKRXQW-HSZRJFAPSA-N 1 2 441.532 1.719 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913555 721801335 /nfs/dbraw/zinc/80/13/35/721801335.db2.gz FIDKNAVRKNBQEL-NRFANRHFSA-N 1 2 446.939 1.383 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913555 721801337 /nfs/dbraw/zinc/80/13/37/721801337.db2.gz FIDKNAVRKNBQEL-NRFANRHFSA-N 1 2 446.939 1.383 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC001164919273 721820119 /nfs/dbraw/zinc/82/01/19/721820119.db2.gz OQHRBNQLWRSNKE-UHFFFAOYSA-N 1 2 430.578 1.812 20 0 IDADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H](CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165032924 721878501 /nfs/dbraw/zinc/87/85/01/721878501.db2.gz ICIXARLWICTKMU-MRXNPFEDSA-N 1 2 432.594 1.094 20 0 IDADLO O=C(c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1)N1CCOCC1 ZINC001164944423 721970180 /nfs/dbraw/zinc/97/01/80/721970180.db2.gz IMTLPOPREMIVFA-UHFFFAOYSA-N 1 2 449.555 1.525 20 0 IDADLO O=C(c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1)N1CCOCC1 ZINC001164944423 721970183 /nfs/dbraw/zinc/97/01/83/721970183.db2.gz IMTLPOPREMIVFA-UHFFFAOYSA-N 1 2 449.555 1.525 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164633520 719267450 /nfs/dbraw/zinc/26/74/50/719267450.db2.gz DBUDGBGDLHGECP-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164633520 719267451 /nfs/dbraw/zinc/26/74/51/719267451.db2.gz DBUDGBGDLHGECP-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(OCc4ccccc4)n3)CC2)C1=O ZINC001164635711 719269733 /nfs/dbraw/zinc/26/97/33/719269733.db2.gz ULIKWLHYTWUMGW-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(OCc4ccccc4)n3)CC2)C1=O ZINC001164635711 719269737 /nfs/dbraw/zinc/26/97/37/719269737.db2.gz ULIKWLHYTWUMGW-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164633887 719270650 /nfs/dbraw/zinc/27/06/50/719270650.db2.gz JIUJGGWRYCFDQQ-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164633887 719270651 /nfs/dbraw/zinc/27/06/51/719270651.db2.gz JIUJGGWRYCFDQQ-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)C1=O ZINC001164636723 719273648 /nfs/dbraw/zinc/27/36/48/719273648.db2.gz WCVMHACFWJGVFG-UHFFFAOYSA-N 1 2 432.899 1.962 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)C1=O ZINC001164636723 719273649 /nfs/dbraw/zinc/27/36/49/719273649.db2.gz WCVMHACFWJGVFG-UHFFFAOYSA-N 1 2 432.899 1.962 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164638267 719277846 /nfs/dbraw/zinc/27/78/46/719277846.db2.gz FGMZYJTZSZOKEC-UHFFFAOYSA-N 1 2 447.580 1.318 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164638267 719277850 /nfs/dbraw/zinc/27/78/50/719277850.db2.gz FGMZYJTZSZOKEC-UHFFFAOYSA-N 1 2 447.580 1.318 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC2)C1=O ZINC001164644300 719279596 /nfs/dbraw/zinc/27/95/96/719279596.db2.gz HIOZSUJVRZIWGW-LJQANCHMSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC2)C1=O ZINC001164644300 719279597 /nfs/dbraw/zinc/27/95/97/719279597.db2.gz HIOZSUJVRZIWGW-LJQANCHMSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC2)C1=O ZINC001164644324 719284685 /nfs/dbraw/zinc/28/46/85/719284685.db2.gz IPRWYPKPLLFRQK-UHFFFAOYSA-N 1 2 446.335 1.329 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC2)C1=O ZINC001164644324 719284688 /nfs/dbraw/zinc/28/46/88/719284688.db2.gz IPRWYPKPLLFRQK-UHFFFAOYSA-N 1 2 446.335 1.329 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)CC2)C1=O ZINC001164644947 719284788 /nfs/dbraw/zinc/28/47/88/719284788.db2.gz XMSSIYHIDUBJHQ-AWEZNQCLSA-N 1 2 439.944 1.166 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)CC2)C1=O ZINC001164644947 719284791 /nfs/dbraw/zinc/28/47/91/719284791.db2.gz XMSSIYHIDUBJHQ-AWEZNQCLSA-N 1 2 439.944 1.166 20 0 IDADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(F)c1 ZINC001164677586 719532850 /nfs/dbraw/zinc/53/28/50/719532850.db2.gz GCNFZUQHBBPURQ-UHFFFAOYSA-N 1 2 438.500 1.879 20 0 IDADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(F)c1 ZINC001164677586 719532861 /nfs/dbraw/zinc/53/28/61/719532861.db2.gz GCNFZUQHBBPURQ-UHFFFAOYSA-N 1 2 438.500 1.879 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707090 719839329 /nfs/dbraw/zinc/83/93/29/719839329.db2.gz ZGNRKAKHWVTHEY-ORAYPTAESA-N 1 2 426.901 1.539 20 0 IDADLO COC(=O)c1ccc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2c1 ZINC001164703902 719843218 /nfs/dbraw/zinc/84/32/18/719843218.db2.gz RDBRUYBTVAXEEB-VGSWGCGISA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)c1ccc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2c1 ZINC001164703899 719843485 /nfs/dbraw/zinc/84/34/85/719843485.db2.gz RDBRUYBTVAXEEB-HTAPYJJXSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)c1ccc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2c1 ZINC001164703900 719843522 /nfs/dbraw/zinc/84/35/22/719843522.db2.gz RDBRUYBTVAXEEB-JTSKRJEESA-N 1 2 428.489 1.649 20 0 IDADLO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c12 ZINC001164699998 719845734 /nfs/dbraw/zinc/84/57/34/719845734.db2.gz JJRLFSZGAKYJLU-SZNDQCEHSA-N 1 2 431.493 1.367 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698487 719857381 /nfs/dbraw/zinc/85/73/81/719857381.db2.gz CQKUUNQBWIIPKT-OPAMFIHVSA-N 1 2 428.489 1.649 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2[nH]1 ZINC001164704018 719862178 /nfs/dbraw/zinc/86/21/78/719862178.db2.gz QNLWGTLEOUHSPB-KSFYIVLOSA-N 1 2 430.505 1.972 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(N2CCCCCC2)n1 ZINC001164702319 719867475 /nfs/dbraw/zinc/86/74/75/719867475.db2.gz IIEOWCPPDHDTIO-HTAPYJJXSA-N 1 2 448.568 1.493 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(O[C@@H]2CCOC2)n1 ZINC001164698884 719879279 /nfs/dbraw/zinc/87/92/79/719879279.db2.gz FRXUQPZKIDQKPY-SXGZJXTBSA-N 1 2 440.928 1.530 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698924 719880055 /nfs/dbraw/zinc/88/00/55/719880055.db2.gz GCFCZDKIPLZXDT-ORAYPTAESA-N 1 2 425.917 1.112 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164709344 719903228 /nfs/dbraw/zinc/90/32/28/719903228.db2.gz TWGYMFGEVBCUGY-UHFFFAOYSA-N 1 2 433.969 1.462 20 0 IDADLO C=Cc1nc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1OC ZINC001164708910 719922770 /nfs/dbraw/zinc/92/27/70/719922770.db2.gz UZTPOBGXVKAWLU-UHFFFAOYSA-N 1 2 431.928 1.465 20 0 IDADLO CN(C)C(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)c1 ZINC001164708883 719923857 /nfs/dbraw/zinc/92/38/57/719923857.db2.gz UUKJOTXLGNKNCP-UHFFFAOYSA-N 1 2 445.955 1.121 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164705537 719925644 /nfs/dbraw/zinc/92/56/44/719925644.db2.gz ZSCUCMFCUVNERN-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccnc1Oc1ccccc1)CC2 ZINC001164708299 719931084 /nfs/dbraw/zinc/93/10/84/719931084.db2.gz HZJASICOBBVNOT-UHFFFAOYSA-N 1 2 433.516 1.953 20 0 IDADLO CCOC(=O)/C=C\c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702969 719933079 /nfs/dbraw/zinc/93/30/79/719933079.db2.gz IDLZYCYQODEOQU-FPLPWBNLSA-N 1 2 438.532 1.342 20 0 IDADLO CCOC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1Cl ZINC001164703793 719933646 /nfs/dbraw/zinc/93/36/46/719933646.db2.gz MSMWTMKIJBBSHF-UHFFFAOYSA-N 1 2 446.939 1.596 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164703494 719938619 /nfs/dbraw/zinc/93/86/19/719938619.db2.gz KBUDDOUIOCXHFX-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164715697 720049804 /nfs/dbraw/zinc/04/98/04/720049804.db2.gz UEFFFGNNZRTCPX-UHFFFAOYSA-N 1 2 434.548 1.909 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719274 720212910 /nfs/dbraw/zinc/21/29/10/720212910.db2.gz QBRKYZXHBRBCNH-FQEVSTJZSA-N 1 2 437.566 1.040 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719274 720212923 /nfs/dbraw/zinc/21/29/23/720212923.db2.gz QBRKYZXHBRBCNH-FQEVSTJZSA-N 1 2 437.566 1.040 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164718634 720238037 /nfs/dbraw/zinc/23/80/37/720238037.db2.gz GEHGCQKDTACSLJ-OAQYLSRUSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(-c4ccccc4)n3)C2)C1 ZINC001164718634 720238045 /nfs/dbraw/zinc/23/80/45/720238045.db2.gz GEHGCQKDTACSLJ-OAQYLSRUSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3C(=O)OC)C2)C1 ZINC001164722732 720267762 /nfs/dbraw/zinc/26/77/62/720267762.db2.gz RAUDZWSXTIOMHP-HSZRJFAPSA-N 1 2 426.517 1.686 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3C(=O)OC)C2)C1 ZINC001164722732 720267770 /nfs/dbraw/zinc/26/77/70/720267770.db2.gz RAUDZWSXTIOMHP-HSZRJFAPSA-N 1 2 426.517 1.686 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164723764 720275560 /nfs/dbraw/zinc/27/55/60/720275560.db2.gz XZJJOEOABKMWJL-MRXNPFEDSA-N 1 2 435.928 1.628 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164723764 720275578 /nfs/dbraw/zinc/27/55/78/720275578.db2.gz XZJJOEOABKMWJL-MRXNPFEDSA-N 1 2 435.928 1.628 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164723790 720305331 /nfs/dbraw/zinc/30/53/31/720305331.db2.gz PFVVNRIEKWKWJB-SFHVURJKSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164723790 720305340 /nfs/dbraw/zinc/30/53/40/720305340.db2.gz PFVVNRIEKWKWJB-SFHVURJKSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)C2)C1 ZINC001164722850 720308040 /nfs/dbraw/zinc/30/80/40/720308040.db2.gz MDEYASCOJUYRGH-VBKZILBWSA-N 1 2 439.944 1.071 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)C2)C1 ZINC001164722850 720308047 /nfs/dbraw/zinc/30/80/47/720308047.db2.gz MDEYASCOJUYRGH-VBKZILBWSA-N 1 2 439.944 1.071 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nnc3OC)C2)C1 ZINC001164723339 720308189 /nfs/dbraw/zinc/30/81/89/720308189.db2.gz NRVIOPNZQDGICH-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nnc3OC)C2)C1 ZINC001164723339 720308196 /nfs/dbraw/zinc/30/81/96/720308196.db2.gz NRVIOPNZQDGICH-QGZVFWFLSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nnc3OC)C2)C1 ZINC001164723338 720308656 /nfs/dbraw/zinc/30/86/56/720308656.db2.gz NRVIOPNZQDGICH-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nnc3OC)C2)C1 ZINC001164723338 720308663 /nfs/dbraw/zinc/30/86/63/720308663.db2.gz NRVIOPNZQDGICH-KRWDZBQOSA-N 1 2 433.887 1.348 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ncn(C)c54)CC3)C2=O)cs1 ZINC001164823100 720362907 /nfs/dbraw/zinc/36/29/07/720362907.db2.gz ANYAQIHZEKAQAW-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ncn(C)c54)CC3)C2=O)cs1 ZINC001164823100 720362912 /nfs/dbraw/zinc/36/29/12/720362912.db2.gz ANYAQIHZEKAQAW-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO Cc1nc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ncc2[nH]1 ZINC001164819728 720376185 /nfs/dbraw/zinc/37/61/85/720376185.db2.gz HNQSEMUFENUILS-UHFFFAOYSA-N 1 2 426.550 1.691 20 0 IDADLO Cc1nc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ncc2[nH]1 ZINC001164819728 720376189 /nfs/dbraw/zinc/37/61/89/720376189.db2.gz HNQSEMUFENUILS-UHFFFAOYSA-N 1 2 426.550 1.691 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(nn4)CCOC5)CC3)C2=O)cs1 ZINC001164820382 720383046 /nfs/dbraw/zinc/38/30/46/720383046.db2.gz ADRTVDCYPKDILA-UHFFFAOYSA-N 1 2 428.562 1.627 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(nn4)CCOC5)CC3)C2=O)cs1 ZINC001164820382 720383050 /nfs/dbraw/zinc/38/30/50/720383050.db2.gz ADRTVDCYPKDILA-UHFFFAOYSA-N 1 2 428.562 1.627 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164827033 720427701 /nfs/dbraw/zinc/42/77/01/720427701.db2.gz QNEYWCPEQOVSGZ-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1NC(C)C ZINC001164824227 720428027 /nfs/dbraw/zinc/42/80/27/720428027.db2.gz KAWCOSYRIVLTPP-KRWDZBQOSA-N 1 2 445.568 1.492 20 0 IDADLO CCOC(=O)c1ccc(C)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822546 720428112 /nfs/dbraw/zinc/42/81/12/720428112.db2.gz DXZAPORINXHHLX-SFHVURJKSA-N 1 2 443.548 1.753 20 0 IDADLO CN(C)c1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829073 720428709 /nfs/dbraw/zinc/42/87/09/720428709.db2.gz ZMMCRWUQHVWMOW-OAHLLOKOSA-N 1 2 435.960 1.382 20 0 IDADLO Cc1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C(N)=O ZINC001164826379 720432047 /nfs/dbraw/zinc/43/20/47/720432047.db2.gz QFBSDIFDVSPVCD-HNNXBMFYSA-N 1 2 448.955 1.328 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1Cl)C2 ZINC001164823683 720432933 /nfs/dbraw/zinc/43/29/33/720432933.db2.gz IZHQKXNQXHRZEW-CYBMUJFWSA-N 1 2 427.336 1.970 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1Cl)C2 ZINC001164825506 720433921 /nfs/dbraw/zinc/43/39/21/720433921.db2.gz NSJWZIQGAUEFIO-ZDUSSCGKSA-N 1 2 427.336 1.970 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCC3)C2 ZINC001164824012 720435523 /nfs/dbraw/zinc/43/55/23/720435523.db2.gz KUSCBITZVWVFMI-OAHLLOKOSA-N 1 2 432.956 1.805 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccc(F)cc31)C2 ZINC001164824076 720435617 /nfs/dbraw/zinc/43/56/17/720435617.db2.gz LRCIZYWYIWLJSF-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164821943 720435655 /nfs/dbraw/zinc/43/56/55/720435655.db2.gz BBLKPWDBJUYFIQ-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164824549 720437693 /nfs/dbraw/zinc/43/76/93/720437693.db2.gz NXADCEGBXOOMMX-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccnc31)C2 ZINC001164822076 720438816 /nfs/dbraw/zinc/43/88/16/720438816.db2.gz CIOOOEKQTXORDD-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO COc1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164821954 720438997 /nfs/dbraw/zinc/43/89/97/720438997.db2.gz BEXCTSHWRQATFG-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO COc1nc2ccccc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824027 720440922 /nfs/dbraw/zinc/44/09/22/720440922.db2.gz KYUJWRDQAGABFZ-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164826423 720442070 /nfs/dbraw/zinc/44/20/70/720442070.db2.gz WHNZHDQCMXEVJC-IBGZPJMESA-N 1 2 443.548 1.753 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1COC3)C2 ZINC001164827034 720442857 /nfs/dbraw/zinc/44/28/57/720442857.db2.gz YSINMMWEGAJSHI-AWEZNQCLSA-N 1 2 434.928 1.346 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cnccc31)C2 ZINC001164824688 720443701 /nfs/dbraw/zinc/44/37/01/720443701.db2.gz PMVGPVAZZSDBOJ-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO Cc1nc2nc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164821981 720444400 /nfs/dbraw/zinc/44/44/00/720444400.db2.gz BPCYPYCIYXKOTN-AWEZNQCLSA-N 1 2 446.943 1.501 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c(F)cccc31)C2 ZINC001164825669 720447013 /nfs/dbraw/zinc/44/70/13/720447013.db2.gz UCZWNOVJLWXELJ-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(F)c1 ZINC001164822318 720447034 /nfs/dbraw/zinc/44/70/34/720447034.db2.gz CQOMWUHUEDTAKS-MRXNPFEDSA-N 1 2 433.484 1.193 20 0 IDADLO COc1nc(Cl)nc(C)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826987 720453616 /nfs/dbraw/zinc/45/36/16/720453616.db2.gz XSNHQLHSQJSZEY-HNNXBMFYSA-N 1 2 436.944 1.633 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(OC(C)(C)C)n1)C2 ZINC001164825130 720454088 /nfs/dbraw/zinc/45/40/88/720454088.db2.gz QFWROYNIZBNLQP-KRWDZBQOSA-N 1 2 430.553 1.840 20 0 IDADLO C[C@H]1CC(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164824716 720454579 /nfs/dbraw/zinc/45/45/79/720454579.db2.gz PRJNELXIOCJDLG-HOTGVXAUSA-N 1 2 441.536 1.108 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(OCC3CC3)ncn1)C2 ZINC001164828882 720458970 /nfs/dbraw/zinc/45/89/70/720458970.db2.gz BRYQSXKPQHNTLF-SFHVURJKSA-N 1 2 428.537 1.452 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(OCC3CC3)ncn1)C2 ZINC001164828880 720459226 /nfs/dbraw/zinc/45/92/26/720459226.db2.gz BRYQSXKPQHNTLF-GOSISDBHSA-N 1 2 428.537 1.452 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCCC3)n1)C2 ZINC001164833166 720464078 /nfs/dbraw/zinc/46/40/78/720464078.db2.gz ZDTIFMGTUWLZTM-LJQANCHMSA-N 1 2 441.580 1.653 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCCC3)n1)C2 ZINC001164833165 720464434 /nfs/dbraw/zinc/46/44/34/720464434.db2.gz ZDTIFMGTUWLZTM-IBGZPJMESA-N 1 2 441.580 1.653 20 0 IDADLO COc1cnc2c(c1)ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833073 720466191 /nfs/dbraw/zinc/46/61/91/720466191.db2.gz YBLORWNRFFVGCP-INIZCTEOSA-N 1 2 439.520 1.220 20 0 IDADLO CCn1cnc2c1ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829822 720470797 /nfs/dbraw/zinc/47/07/97/720470797.db2.gz HDIYLPNSIMVKSP-INIZCTEOSA-N 1 2 426.525 1.032 20 0 IDADLO COc1nnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC001164829846 720470862 /nfs/dbraw/zinc/47/08/62/720470862.db2.gz HGMARJGDLSDVPO-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CCS(=O)(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830925 720483376 /nfs/dbraw/zinc/48/33/76/720483376.db2.gz CMFWLZIMTRXTLB-KRWDZBQOSA-N 1 2 449.577 1.061 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6cnccn6)[C@@H]5C4)c3C2)cc1 ZINC001164759449 721260412 /nfs/dbraw/zinc/26/04/12/721260412.db2.gz AKDQWKJNVMUWRK-FGZHOGPDSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6cnccn6)[C@@H]5C4)c3C2)cc1 ZINC001164759449 721260416 /nfs/dbraw/zinc/26/04/16/721260416.db2.gz AKDQWKJNVMUWRK-FGZHOGPDSA-N 1 2 429.528 1.919 20 0 IDADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891889 721389702 /nfs/dbraw/zinc/38/97/02/721389702.db2.gz RIDZIZUQWWJTCH-ZHRRBRCNSA-N 1 2 428.537 1.462 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164898101 721525002 /nfs/dbraw/zinc/52/50/02/721525002.db2.gz HSIUAPPFTLRDSL-GDBMZVCRSA-N 1 2 431.493 1.842 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164898101 721525006 /nfs/dbraw/zinc/52/50/06/721525006.db2.gz HSIUAPPFTLRDSL-GDBMZVCRSA-N 1 2 431.493 1.842 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001165014952 721765233 /nfs/dbraw/zinc/76/52/33/721765233.db2.gz KCEGGVLHOBEWLV-LJQANCHMSA-N 1 2 433.875 1.785 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001165015600 721765454 /nfs/dbraw/zinc/76/54/54/721765454.db2.gz SKPKLVUFXGJKOR-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911914 721773129 /nfs/dbraw/zinc/77/31/29/721773129.db2.gz IHEKGWWLGJEYRK-JOCHJYFZSA-N 1 2 430.480 1.900 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911914 721773131 /nfs/dbraw/zinc/77/31/31/721773131.db2.gz IHEKGWWLGJEYRK-JOCHJYFZSA-N 1 2 430.480 1.900 20 0 IDADLO CC(C)OC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910858 721774137 /nfs/dbraw/zinc/77/41/37/721774137.db2.gz CMIBLJDMAFBSLE-QFIPXVFZSA-N 1 2 427.505 1.545 20 0 IDADLO CC(C)OC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910858 721774139 /nfs/dbraw/zinc/77/41/39/721774139.db2.gz CMIBLJDMAFBSLE-QFIPXVFZSA-N 1 2 427.505 1.545 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912845 721775255 /nfs/dbraw/zinc/77/52/55/721775255.db2.gz QTHJVYZVWNPLIX-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912845 721775258 /nfs/dbraw/zinc/77/52/58/721775258.db2.gz QTHJVYZVWNPLIX-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915175 721785795 /nfs/dbraw/zinc/78/57/95/721785795.db2.gz JKQZICRSIMEADM-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915175 721785799 /nfs/dbraw/zinc/78/57/99/721785799.db2.gz JKQZICRSIMEADM-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO CNC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164914891 721787636 /nfs/dbraw/zinc/78/76/36/721787636.db2.gz HDKBHBBTCDDRJB-OAQYLSRUSA-N 1 2 431.924 1.597 20 0 IDADLO CNC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164914891 721787638 /nfs/dbraw/zinc/78/76/38/721787638.db2.gz HDKBHBBTCDDRJB-OAQYLSRUSA-N 1 2 431.924 1.597 20 0 IDADLO CN1CCc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2C1 ZINC001164915769 721800084 /nfs/dbraw/zinc/80/00/84/721800084.db2.gz ZSSKJDYHEVEFLQ-QFIPXVFZSA-N 1 2 444.967 1.621 20 0 IDADLO CN1CCc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2C1 ZINC001164915769 721800085 /nfs/dbraw/zinc/80/00/85/721800085.db2.gz ZSSKJDYHEVEFLQ-QFIPXVFZSA-N 1 2 444.967 1.621 20 0 IDADLO CCOC(=O)Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913436 721801119 /nfs/dbraw/zinc/80/11/19/721801119.db2.gz CZUVCICGRWZEDN-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913436 721801120 /nfs/dbraw/zinc/80/11/20/721801120.db2.gz CZUVCICGRWZEDN-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917868 721818357 /nfs/dbraw/zinc/81/83/57/721818357.db2.gz KAXVJMCCZCQTPD-SSEXGKCCSA-N 1 2 432.550 1.337 20 0 IDADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCN(Cc4nc(OC)cc(OC)n4)CC3)c12 ZINC001165030936 721846517 /nfs/dbraw/zinc/84/65/17/721846517.db2.gz MLUCNIWUKWSZLI-UHFFFAOYSA-N 1 2 427.465 1.264 20 0 IDADLO Cn1cc(N2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3C2=O)cn1 ZINC001164972985 722094265 /nfs/dbraw/zinc/09/42/65/722094265.db2.gz ATEPMEVPVNRUIJ-QUCCMNQESA-N 1 2 429.528 1.868 20 0 IDADLO Cn1cc(N2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3C2=O)cn1 ZINC001164972985 722094266 /nfs/dbraw/zinc/09/42/66/722094266.db2.gz ATEPMEVPVNRUIJ-QUCCMNQESA-N 1 2 429.528 1.868 20 0 IDADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164986684 722176238 /nfs/dbraw/zinc/17/62/38/722176238.db2.gz KVCPDMSFBAMAIM-MOPGFXCFSA-N 1 2 430.578 1.948 20 0 IDADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164986684 722176241 /nfs/dbraw/zinc/17/62/41/722176241.db2.gz KVCPDMSFBAMAIM-MOPGFXCFSA-N 1 2 430.578 1.948 20 0 IDADLO O=C(CCNS(=O)(=O)c1cccc2nsnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000003665784 562937624 /nfs/dbraw/zinc/93/76/24/562937624.db2.gz PAUICUBCWHEEDI-UHFFFAOYSA-N 1 2 432.531 1.104 20 0 IDADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)c(C)c1 ZINC000013116920 562984552 /nfs/dbraw/zinc/98/45/52/562984552.db2.gz YBMFUQNSFAKYPP-UHFFFAOYSA-N 1 2 437.606 1.931 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164634647 719271383 /nfs/dbraw/zinc/27/13/83/719271383.db2.gz KWFKQBSMVPGEGB-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164634647 719271388 /nfs/dbraw/zinc/27/13/88/719271388.db2.gz KWFKQBSMVPGEGB-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc([C@@H](CC(=O)OC)C4CC4)ccn3)CC2)C1=O ZINC001164642080 719279607 /nfs/dbraw/zinc/27/96/07/719279607.db2.gz WOZDEIYKVCYWII-FQEVSTJZSA-N 1 2 444.576 1.898 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc([C@@H](CC(=O)OC)C4CC4)ccn3)CC2)C1=O ZINC001164642080 719279608 /nfs/dbraw/zinc/27/96/08/719279608.db2.gz WOZDEIYKVCYWII-FQEVSTJZSA-N 1 2 444.576 1.898 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)N3CCC(C)CC3)CC2)C1=O ZINC001164644312 719280143 /nfs/dbraw/zinc/28/01/43/719280143.db2.gz HVSQDIMTURPDFW-UHFFFAOYSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)N3CCC(C)CC3)CC2)C1=O ZINC001164644312 719280145 /nfs/dbraw/zinc/28/01/45/719280145.db2.gz HVSQDIMTURPDFW-UHFFFAOYSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)C1=O ZINC001164644854 719280329 /nfs/dbraw/zinc/28/03/29/719280329.db2.gz UPALKSJNVZUXGM-UHFFFAOYSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)C1=O ZINC001164644854 719280333 /nfs/dbraw/zinc/28/03/33/719280333.db2.gz UPALKSJNVZUXGM-UHFFFAOYSA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)CC2)C1=O ZINC001164644948 719285254 /nfs/dbraw/zinc/28/52/54/719285254.db2.gz XMSSIYHIDUBJHQ-CQSZACIVSA-N 1 2 439.944 1.166 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)CC2)C1=O ZINC001164644948 719285256 /nfs/dbraw/zinc/28/52/56/719285256.db2.gz XMSSIYHIDUBJHQ-CQSZACIVSA-N 1 2 439.944 1.166 20 0 IDADLO COC(=O)c1ccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ncc2c1 ZINC001164698071 719843833 /nfs/dbraw/zinc/84/38/33/719843833.db2.gz DXFCQTQKEQMEIA-VGSWGCGISA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cc(OC)c(OC)cc2n1 ZINC001164704612 719852346 /nfs/dbraw/zinc/85/23/46/719852346.db2.gz RVHVXRMHBJVBKD-OYHNWAKOSA-N 1 2 430.505 1.880 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N(C)OC)cc(Cl)n1 ZINC001164703523 719856576 /nfs/dbraw/zinc/85/65/76/719856576.db2.gz QDLGPKUFDFOJRK-FOIQADDNSA-N 1 2 440.928 1.601 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(N2CCCCCC2)n1 ZINC001164702322 719867545 /nfs/dbraw/zinc/86/75/45/719867545.db2.gz IIEOWCPPDHDTIO-VGOFRKELSA-N 1 2 448.568 1.493 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001164705743 719870189 /nfs/dbraw/zinc/87/01/89/719870189.db2.gz OJMFYOMNASCKIB-WMZHIEFXSA-N 1 2 426.517 1.524 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164707206 719870470 /nfs/dbraw/zinc/87/04/70/719870470.db2.gz RCRRENVOQLQILO-DYVFJYSZSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCCC2)nn1 ZINC001164707604 719872810 /nfs/dbraw/zinc/87/28/10/719872810.db2.gz UFIAPMUBFKQHRB-JTSKRJEESA-N 1 2 431.537 1.382 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCCC2)nn1 ZINC001164707606 719872942 /nfs/dbraw/zinc/87/29/42/719872942.db2.gz UFIAPMUBFKQHRB-VGSWGCGISA-N 1 2 431.537 1.382 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)ncnc21 ZINC001164705703 719874943 /nfs/dbraw/zinc/87/49/43/719874943.db2.gz NWYHTPBUIBXXGQ-VOJFVSQTSA-N 1 2 441.319 1.959 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(O[C@H]2CCOC2)n1 ZINC001164698879 719879320 /nfs/dbraw/zinc/87/93/20/719879320.db2.gz FRXUQPZKIDQKPY-AVYPCKFXSA-N 1 2 440.928 1.530 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698923 719880071 /nfs/dbraw/zinc/88/00/71/719880071.db2.gz GCFCZDKIPLZXDT-DJJJIMSYSA-N 1 2 425.917 1.112 20 0 IDADLO COC(=O)c1ccc2c(ccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708421 719903189 /nfs/dbraw/zinc/90/31/89/719903189.db2.gz CWQGFXXFYYNKNH-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ncccc3nc1Cl)CC2 ZINC001164709355 719907318 /nfs/dbraw/zinc/90/73/18/719907318.db2.gz UHNJGOTUXKXUQD-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164708740 719908234 /nfs/dbraw/zinc/90/82/34/719908234.db2.gz JUEUZYKBWRWOJM-UHFFFAOYSA-N 1 2 447.543 1.739 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164708364 719910849 /nfs/dbraw/zinc/91/08/49/719910849.db2.gz AQRNWYJZZKCKNI-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO CCOC(=O)c1c(C)ccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708105 719917857 /nfs/dbraw/zinc/91/78/57/719917857.db2.gz CGYZZOJIHXBKIE-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO COc1cccc(-c2ccnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)c1 ZINC001164708664 719918077 /nfs/dbraw/zinc/91/80/77/719918077.db2.gz FUEJOFCRCSWRBJ-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO COc1cccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)c1 ZINC001164708338 719923286 /nfs/dbraw/zinc/92/32/86/719923286.db2.gz JUGHEXAEEKNCHT-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO Cc1csc2nc(C)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708793 719932526 /nfs/dbraw/zinc/93/25/26/719932526.db2.gz QPDRBRUYIRHHBT-UHFFFAOYSA-N 1 2 425.562 1.992 20 0 IDADLO COC(=O)c1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncc2c1 ZINC001164702399 719939326 /nfs/dbraw/zinc/93/93/26/719939326.db2.gz FSNXYTKGBXFBBL-UHFFFAOYSA-N 1 2 449.515 1.100 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164717841 720215296 /nfs/dbraw/zinc/21/52/96/720215296.db2.gz JGLNNXTWSOEVOP-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164717841 720215303 /nfs/dbraw/zinc/21/53/03/720215303.db2.gz JGLNNXTWSOEVOP-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(OC)c3)C2)C1 ZINC001164719313 720218998 /nfs/dbraw/zinc/21/89/98/720218998.db2.gz RBRPFVOTKVAKGX-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(OC)c3)C2)C1 ZINC001164719313 720219000 /nfs/dbraw/zinc/21/90/00/720219000.db2.gz RBRPFVOTKVAKGX-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3C(=O)OC)C2)C1 ZINC001164722734 720268653 /nfs/dbraw/zinc/26/86/53/720268653.db2.gz RAUDZWSXTIOMHP-QHCPKHFHSA-N 1 2 426.517 1.686 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3C(=O)OC)C2)C1 ZINC001164722734 720268658 /nfs/dbraw/zinc/26/86/58/720268658.db2.gz RAUDZWSXTIOMHP-QHCPKHFHSA-N 1 2 426.517 1.686 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(Oc4cccc(OC)c4)n3)C2)C1 ZINC001164721601 720270884 /nfs/dbraw/zinc/27/08/84/720270884.db2.gz LUQFNUBGMRQIFR-QHCPKHFHSA-N 1 2 441.532 1.942 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(Oc4cccc(OC)c4)n3)C2)C1 ZINC001164721601 720270890 /nfs/dbraw/zinc/27/08/90/720270890.db2.gz LUQFNUBGMRQIFR-QHCPKHFHSA-N 1 2 441.532 1.942 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164724231 720275185 /nfs/dbraw/zinc/27/51/85/720275185.db2.gz ZVUCQZWOEOXSTO-XMMPIXPASA-N 1 2 438.576 1.874 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164724231 720275190 /nfs/dbraw/zinc/27/51/90/720275190.db2.gz ZVUCQZWOEOXSTO-XMMPIXPASA-N 1 2 438.576 1.874 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3cncc(Cl)n3)C2)C1 ZINC001164720624 720289612 /nfs/dbraw/zinc/28/96/12/720289612.db2.gz BJPXBBMARDNGCP-KRWDZBQOSA-N 1 2 433.887 1.262 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3cncc(Cl)n3)C2)C1 ZINC001164720624 720289616 /nfs/dbraw/zinc/28/96/16/720289616.db2.gz BJPXBBMARDNGCP-KRWDZBQOSA-N 1 2 433.887 1.262 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)c(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164823985 720360852 /nfs/dbraw/zinc/36/08/52/720360852.db2.gz FVJZNIZJIWJGLK-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)c(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164823985 720360857 /nfs/dbraw/zinc/36/08/57/720360857.db2.gz FVJZNIZJIWJGLK-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO COC(=O)Cc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824064 720368400 /nfs/dbraw/zinc/36/84/00/720368400.db2.gz IAKIKLUOMAZXNB-UHFFFAOYSA-N 1 2 443.573 1.875 20 0 IDADLO COC(=O)Cc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824064 720368408 /nfs/dbraw/zinc/36/84/08/720368408.db2.gz IAKIKLUOMAZXNB-UHFFFAOYSA-N 1 2 443.573 1.875 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(N)=O)cc(C)n4)CC3)C2=O)cs1 ZINC001164820418 720384259 /nfs/dbraw/zinc/38/42/59/720384259.db2.gz BBLBECIFSFEAHY-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(N)=O)cc(C)n4)CC3)C2=O)cs1 ZINC001164820418 720384264 /nfs/dbraw/zinc/38/42/64/720384264.db2.gz BBLBECIFSFEAHY-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO COC(=O)c1cc(Cl)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164828132 720433128 /nfs/dbraw/zinc/43/31/28/720433128.db2.gz WJWNFLROOAWZPD-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1C(N)=O)C2 ZINC001164827097 720434531 /nfs/dbraw/zinc/43/45/31/720434531.db2.gz ZALAEYYVBBZTOF-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccncc31)C2 ZINC001164827003 720436165 /nfs/dbraw/zinc/43/61/65/720436165.db2.gz XZXFRAFDMWOTIE-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1OC ZINC001164826285 720436850 /nfs/dbraw/zinc/43/68/50/720436850.db2.gz VMEKLOQQRWJORI-INIZCTEOSA-N 1 2 445.520 1.063 20 0 IDADLO COc1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164821955 720439584 /nfs/dbraw/zinc/43/95/84/720439584.db2.gz BEXCTSHWRQATFG-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CSc1nc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822470 720442969 /nfs/dbraw/zinc/44/29/69/720442969.db2.gz FRBWVKZCLFQGLQ-ZDUSSCGKSA-N 1 2 439.973 1.433 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1F ZINC001164823387 720443780 /nfs/dbraw/zinc/44/37/80/720443780.db2.gz IVZRFSOSZAOJQV-HNNXBMFYSA-N 1 2 433.484 1.193 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(F)c1 ZINC001164822315 720446844 /nfs/dbraw/zinc/44/68/44/720446844.db2.gz CQOMWUHUEDTAKS-INIZCTEOSA-N 1 2 433.484 1.193 20 0 IDADLO COC(=O)c1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164825233 720450390 /nfs/dbraw/zinc/45/03/90/720450390.db2.gz QRGPPPKOWUQXBT-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO COc1c(Cl)nc(C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826372 720451975 /nfs/dbraw/zinc/45/19/75/720451975.db2.gz VZYDNOIIHUIZMH-OAHLLOKOSA-N 1 2 436.944 1.633 20 0 IDADLO COc1nc(Cl)nc(C)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826988 720452755 /nfs/dbraw/zinc/45/27/55/720452755.db2.gz XSNHQLHSQJSZEY-OAHLLOKOSA-N 1 2 436.944 1.633 20 0 IDADLO COc1cccc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164828809 720455796 /nfs/dbraw/zinc/45/57/96/720455796.db2.gz BAEQDHBPIJPYFF-GOSISDBHSA-N 1 2 438.532 1.825 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164832692 720466626 /nfs/dbraw/zinc/46/66/26/720466626.db2.gz VTZREWKLJALXTL-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(F)nc(F)nc1Cl)C2 ZINC001164831735 720468492 /nfs/dbraw/zinc/46/84/92/720468492.db2.gz PDAXZQZMBOPYFU-GFCCVEGCSA-N 1 2 428.871 1.594 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001164833478 720479424 /nfs/dbraw/zinc/47/94/24/720479424.db2.gz OXMUVYZGTQIPBW-IFXJQAMLSA-N 1 2 440.907 1.444 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164833480 720479872 /nfs/dbraw/zinc/47/98/72/720479872.db2.gz OXMUVYZGTQIPBW-LIRRHRJNSA-N 1 2 440.907 1.444 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164791050 721421810 /nfs/dbraw/zinc/42/18/10/721421810.db2.gz YZNDBBLHUVIZHE-PHIMTYICSA-N 1 2 449.936 1.952 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164791050 721421811 /nfs/dbraw/zinc/42/18/11/721421811.db2.gz YZNDBBLHUVIZHE-PHIMTYICSA-N 1 2 449.936 1.952 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001165011696 721699977 /nfs/dbraw/zinc/69/99/77/721699977.db2.gz WDRQDZTVOKTWKI-UHFFFAOYSA-N 1 2 427.557 1.123 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001165011696 721699980 /nfs/dbraw/zinc/69/99/80/721699980.db2.gz WDRQDZTVOKTWKI-UHFFFAOYSA-N 1 2 427.557 1.123 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001165014951 721765368 /nfs/dbraw/zinc/76/53/68/721765368.db2.gz KCEGGVLHOBEWLV-IBGZPJMESA-N 1 2 433.875 1.785 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001165015364 721766003 /nfs/dbraw/zinc/76/60/03/721766003.db2.gz OVQBDFDQQXQJIR-IBGZPJMESA-N 1 2 433.875 1.785 20 0 IDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1OC ZINC001164911129 721771817 /nfs/dbraw/zinc/77/18/17/721771817.db2.gz FMDZPEIQDDLCPQ-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1OC ZINC001164911129 721771820 /nfs/dbraw/zinc/77/18/20/721771820.db2.gz FMDZPEIQDDLCPQ-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO CCOC(=O)c1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913591 721775934 /nfs/dbraw/zinc/77/59/34/721775934.db2.gz YAPAODULPQGNOR-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913591 721775937 /nfs/dbraw/zinc/77/59/37/721775937.db2.gz YAPAODULPQGNOR-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO COC(=O)c1cccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc21 ZINC001164913622 721777402 /nfs/dbraw/zinc/77/74/02/721777402.db2.gz YRRHJQSUSRXHES-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1cccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc21 ZINC001164913622 721777411 /nfs/dbraw/zinc/77/74/11/721777411.db2.gz YRRHJQSUSRXHES-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916430 721788221 /nfs/dbraw/zinc/78/82/21/721788221.db2.gz QXXYUMSAVBBTIJ-JOCHJYFZSA-N 1 2 427.553 1.564 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916430 721788228 /nfs/dbraw/zinc/78/82/28/721788228.db2.gz QXXYUMSAVBBTIJ-JOCHJYFZSA-N 1 2 427.553 1.564 20 0 IDADLO O=c1ccccn1Cc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913930 721795592 /nfs/dbraw/zinc/79/55/92/721795592.db2.gz IWKIOXMYDXYOIJ-RUZDIDTESA-N 1 2 447.539 1.794 20 0 IDADLO O=c1ccccn1Cc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913930 721795595 /nfs/dbraw/zinc/79/55/95/721795595.db2.gz IWKIOXMYDXYOIJ-RUZDIDTESA-N 1 2 447.539 1.794 20 0 IDADLO CN(C)C(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913473 721795700 /nfs/dbraw/zinc/79/57/00/721795700.db2.gz DJXXCKNHJVXLFC-QFIPXVFZSA-N 1 2 445.951 1.940 20 0 IDADLO CN(C)C(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913473 721795704 /nfs/dbraw/zinc/79/57/04/721795704.db2.gz DJXXCKNHJVXLFC-QFIPXVFZSA-N 1 2 445.951 1.940 20 0 IDADLO CCOC(=O)Cc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913434 721800815 /nfs/dbraw/zinc/80/08/15/721800815.db2.gz CZUVCICGRWZEDN-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913434 721800817 /nfs/dbraw/zinc/80/08/17/721800817.db2.gz CZUVCICGRWZEDN-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1C(=O)OCC ZINC001164916836 721814166 /nfs/dbraw/zinc/81/41/66/721814166.db2.gz IDUPUDHULGTREC-UHFFFAOYSA-N 1 2 442.520 1.776 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943338 721969563 /nfs/dbraw/zinc/96/95/63/721969563.db2.gz FQEXMNKIKALGFB-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943338 721969565 /nfs/dbraw/zinc/96/95/65/721969565.db2.gz FQEXMNKIKALGFB-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1 ZINC000023673757 563027254 /nfs/dbraw/zinc/02/72/54/563027254.db2.gz GRWDXHPAWWTPPQ-UHFFFAOYSA-N 1 2 430.505 1.213 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)N3CCCCC3)CC2)C1=O ZINC001164635703 719268799 /nfs/dbraw/zinc/26/87/99/719268799.db2.gz UGRWMOZZVHJRMC-UHFFFAOYSA-N 1 2 429.565 1.467 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)N3CCCCC3)CC2)C1=O ZINC001164635703 719268804 /nfs/dbraw/zinc/26/88/04/719268804.db2.gz UGRWMOZZVHJRMC-UHFFFAOYSA-N 1 2 429.565 1.467 20 0 IDADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1C ZINC001164632742 719274346 /nfs/dbraw/zinc/27/43/46/719274346.db2.gz BQGICIVMYZLWNP-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1C ZINC001164632742 719274350 /nfs/dbraw/zinc/27/43/50/719274350.db2.gz BQGICIVMYZLWNP-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(cccc4C(=O)OC)n3)CC2)C1=O ZINC001164644456 719283193 /nfs/dbraw/zinc/28/31/93/719283193.db2.gz KEADWBAEBPOXCH-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(cccc4C(=O)OC)n3)CC2)C1=O ZINC001164644456 719283198 /nfs/dbraw/zinc/28/31/98/719283198.db2.gz KEADWBAEBPOXCH-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705089 719851621 /nfs/dbraw/zinc/85/16/21/719851621.db2.gz SSQBKZXXEJPPQR-BFUOFWGJSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705092 719851875 /nfs/dbraw/zinc/85/18/75/719851875.db2.gz SSQBKZXXEJPPQR-YJYMSZOUSA-N 1 2 426.901 1.539 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N(C)OC)cc(Cl)n1 ZINC001164703530 719856558 /nfs/dbraw/zinc/85/65/58/719856558.db2.gz QDLGPKUFDFOJRK-QRWLVFNGSA-N 1 2 440.928 1.601 20 0 IDADLO COC(=O)c1nc2cnccc2c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164704626 719858981 /nfs/dbraw/zinc/85/89/81/719858981.db2.gz SAPWCZRMLOLLEK-QKKBWIMNSA-N 1 2 429.477 1.044 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(-c2ccccc2)n1 ZINC001164705142 719859621 /nfs/dbraw/zinc/85/96/21/719859621.db2.gz TXEXFJDUIGRFDY-JTSKRJEESA-N 1 2 427.505 1.780 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)Nc1cc(C)on1 ZINC001164707988 719867047 /nfs/dbraw/zinc/86/70/47/719867047.db2.gz XCJPWSJPNOSVJW-OPAMFIHVSA-N 1 2 443.504 1.863 20 0 IDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164697536 719879623 /nfs/dbraw/zinc/87/96/23/719879623.db2.gz CHOIKXGQYQGBKS-ARGWCVDVSA-N 1 2 440.928 1.639 20 0 IDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164697539 719879683 /nfs/dbraw/zinc/87/96/83/719879683.db2.gz CHOIKXGQYQGBKS-CKNLXJGOSA-N 1 2 440.928 1.639 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164705175 719902269 /nfs/dbraw/zinc/90/22/69/719902269.db2.gz VUOYYEYGWGOYMG-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164708719 719905528 /nfs/dbraw/zinc/90/55/28/719905528.db2.gz ITRLKKKMOMQQSX-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO CCCN(CCC)c1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709765 719917089 /nfs/dbraw/zinc/91/70/89/719917089.db2.gz ZUKFDSILAMTIOH-UHFFFAOYSA-N 1 2 440.596 1.787 20 0 IDADLO CCc1cc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH]1 ZINC001164708112 719920044 /nfs/dbraw/zinc/92/00/44/719920044.db2.gz CPVVIGRWTSOZDH-UHFFFAOYSA-N 1 2 442.955 1.858 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164708243 719920205 /nfs/dbraw/zinc/92/02/05/719920205.db2.gz GCXWHBDIQGDTML-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COC(=O)c1ccc2cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncc2c1 ZINC001164708288 719922000 /nfs/dbraw/zinc/92/20/00/719922000.db2.gz HOSWZHKCKGXBBV-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164702267 719926177 /nfs/dbraw/zinc/92/61/77/719926177.db2.gz DQCCNKPZABCLOS-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c(C)nc2c1 ZINC001164708335 719927709 /nfs/dbraw/zinc/92/77/09/719927709.db2.gz JRHAKRRSWWKSSJ-UHFFFAOYSA-N 1 2 435.532 1.631 20 0 IDADLO Cc1nc(-c2ccncc2)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708813 719927914 /nfs/dbraw/zinc/92/79/14/719927914.db2.gz RWWKVULJJHKXCI-UHFFFAOYSA-N 1 2 432.532 1.531 20 0 IDADLO COc1ccccc1-c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncn1 ZINC001164709160 719928557 /nfs/dbraw/zinc/92/85/57/719928557.db2.gz ZXQZFTAILRMBNV-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164708819 719931053 /nfs/dbraw/zinc/93/10/53/719931053.db2.gz SFCOXDHZEGEVKZ-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164703825 719932265 /nfs/dbraw/zinc/93/22/65/719932265.db2.gz NFAJPYZYRZOIRE-UHFFFAOYSA-N 1 2 437.548 1.001 20 0 IDADLO COC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1Cl ZINC001164705487 719933792 /nfs/dbraw/zinc/93/37/92/719933792.db2.gz ZADONWKCWZEDRZ-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO COC(=O)c1cc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164708885 719937256 /nfs/dbraw/zinc/93/72/56/719937256.db2.gz UWQFTGQIKALGCJ-UHFFFAOYSA-N 1 2 446.939 1.514 20 0 IDADLO COC(=O)c1cccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncc21 ZINC001164702268 720048488 /nfs/dbraw/zinc/04/84/88/720048488.db2.gz DQMGJDFTPQNBIJ-UHFFFAOYSA-N 1 2 449.515 1.100 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719275 720213943 /nfs/dbraw/zinc/21/39/43/720213943.db2.gz QBRKYZXHBRBCNH-HXUWFJFHSA-N 1 2 437.566 1.040 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719275 720213951 /nfs/dbraw/zinc/21/39/51/720213951.db2.gz QBRKYZXHBRBCNH-HXUWFJFHSA-N 1 2 437.566 1.040 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164720407 720259951 /nfs/dbraw/zinc/25/99/51/720259951.db2.gz VFIGXFJHOSNZQN-QHCPKHFHSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164720407 720259955 /nfs/dbraw/zinc/25/99/55/720259955.db2.gz VFIGXFJHOSNZQN-QHCPKHFHSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164725482 720304629 /nfs/dbraw/zinc/30/46/29/720304629.db2.gz WCBSQAQBDKUSFE-NRFANRHFSA-N 1 2 430.940 1.857 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(-c4ccncc4)n3)C2)C1 ZINC001164725482 720304640 /nfs/dbraw/zinc/30/46/40/720304640.db2.gz WCBSQAQBDKUSFE-NRFANRHFSA-N 1 2 430.940 1.857 20 0 IDADLO COC(=O)c1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824885 720361436 /nfs/dbraw/zinc/36/14/36/720361436.db2.gz PHIINAYKWWOFHM-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824885 720361446 /nfs/dbraw/zinc/36/14/46/720361446.db2.gz PHIINAYKWWOFHM-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ncn(C)c5n4)CC3)C2=O)cs1 ZINC001164824091 720367749 /nfs/dbraw/zinc/36/77/49/720367749.db2.gz IXGRVOISERODPB-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ncn(C)c5n4)CC3)C2=O)cs1 ZINC001164824091 720367753 /nfs/dbraw/zinc/36/77/53/720367753.db2.gz IXGRVOISERODPB-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO COC(=O)c1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819330 720371661 /nfs/dbraw/zinc/37/16/61/720371661.db2.gz CVIVXZLWKXKLTI-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819330 720371669 /nfs/dbraw/zinc/37/16/69/720371669.db2.gz CVIVXZLWKXKLTI-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164829001 720426975 /nfs/dbraw/zinc/42/69/75/720426975.db2.gz YSLGBRNBYFKZCV-MRXNPFEDSA-N 1 2 449.939 1.708 20 0 IDADLO COC(=O)c1ccc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164828018 720429022 /nfs/dbraw/zinc/42/90/22/720429022.db2.gz VMDHUXSJMFJRLO-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164822415 720437804 /nfs/dbraw/zinc/43/78/04/720437804.db2.gz DVYHWBASLMHKLG-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO COC(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164825175 720441336 /nfs/dbraw/zinc/44/13/36/720441336.db2.gz QLALXDFKXXIBHO-KRWDZBQOSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cnc(F)cc31)C2 ZINC001164821918 720442864 /nfs/dbraw/zinc/44/28/64/720442864.db2.gz AQVVSIVUMXSKBB-OAHLLOKOSA-N 1 2 427.484 1.350 20 0 IDADLO Cc1nc2nc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164821986 720444695 /nfs/dbraw/zinc/44/46/95/720444695.db2.gz BPCYPYCIYXKOTN-CQSZACIVSA-N 1 2 446.943 1.501 20 0 IDADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164824096 720446517 /nfs/dbraw/zinc/44/65/17/720446517.db2.gz LTJXOXVKXPTXOU-KRWDZBQOSA-N 1 2 429.521 1.363 20 0 IDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164826324 720448522 /nfs/dbraw/zinc/44/85/22/720448522.db2.gz VSWWZXZPSHCSFP-QGZVFWFLSA-N 1 2 444.536 1.148 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ncccc3nc1Cl)C2 ZINC001164822775 720451665 /nfs/dbraw/zinc/45/16/65/720451665.db2.gz HSBAIGVDZJAGOS-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164829842 720459332 /nfs/dbraw/zinc/45/93/32/720459332.db2.gz HGILBRORHNRJEY-CQSZACIVSA-N 1 2 431.928 1.797 20 0 IDADLO CNC(=O)c1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164829655 720461053 /nfs/dbraw/zinc/46/10/53/720461053.db2.gz GMRWDOOQOHZMHC-OAHLLOKOSA-N 1 2 448.955 1.281 20 0 IDADLO CCCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164828926 720471903 /nfs/dbraw/zinc/47/19/03/720471903.db2.gz CJTWSDAYPRPJHY-IBGZPJMESA-N 1 2 442.564 1.408 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164829160 720474823 /nfs/dbraw/zinc/47/48/23/720474823.db2.gz CUIFVAJFAIMGGN-SFHVURJKSA-N 1 2 435.532 1.725 20 0 IDADLO CCS(=O)(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830926 720483745 /nfs/dbraw/zinc/48/37/45/720483745.db2.gz CMFWLZIMTRXTLB-QGZVFWFLSA-N 1 2 449.577 1.061 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001165014617 721766144 /nfs/dbraw/zinc/76/61/44/721766144.db2.gz HMWXGETZIZUAOF-IBGZPJMESA-N 1 2 433.875 1.785 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910707 721775098 /nfs/dbraw/zinc/77/50/98/721775098.db2.gz CANNUMNBOMSGJP-FQEVSTJZSA-N 1 2 435.887 1.476 20 0 IDADLO NC(=O)c1cc(F)c(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910707 721775102 /nfs/dbraw/zinc/77/51/02/721775102.db2.gz CANNUMNBOMSGJP-FQEVSTJZSA-N 1 2 435.887 1.476 20 0 IDADLO CCCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913806 721794660 /nfs/dbraw/zinc/79/46/60/721794660.db2.gz HPAJISAFADJNPI-QHCPKHFHSA-N 1 2 425.533 1.724 20 0 IDADLO CCCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913806 721794661 /nfs/dbraw/zinc/79/46/61/721794661.db2.gz HPAJISAFADJNPI-QHCPKHFHSA-N 1 2 425.533 1.724 20 0 IDADLO CCCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913804 721794715 /nfs/dbraw/zinc/79/47/15/721794715.db2.gz HPAJISAFADJNPI-HSZRJFAPSA-N 1 2 425.533 1.724 20 0 IDADLO CCCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913804 721794719 /nfs/dbraw/zinc/79/47/19/721794719.db2.gz HPAJISAFADJNPI-HSZRJFAPSA-N 1 2 425.533 1.724 20 0 IDADLO CN1CCc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2C1 ZINC001164915768 721799925 /nfs/dbraw/zinc/79/99/25/721799925.db2.gz ZSSKJDYHEVEFLQ-JOCHJYFZSA-N 1 2 444.967 1.621 20 0 IDADLO CN1CCc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2C1 ZINC001164915768 721799929 /nfs/dbraw/zinc/79/99/29/721799929.db2.gz ZSSKJDYHEVEFLQ-JOCHJYFZSA-N 1 2 444.967 1.621 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)NC3CCOCC3)nn2)CC1 ZINC001164919140 721820421 /nfs/dbraw/zinc/82/04/21/721820421.db2.gz NMFKWGOVUIUETR-UHFFFAOYSA-N 1 2 425.537 1.331 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947362 721979431 /nfs/dbraw/zinc/97/94/31/721979431.db2.gz GWNBERHUJANAJS-UHFFFAOYSA-N 1 2 430.512 1.599 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947362 721979433 /nfs/dbraw/zinc/97/94/33/721979433.db2.gz GWNBERHUJANAJS-UHFFFAOYSA-N 1 2 430.512 1.599 20 0 IDADLO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981081 722119197 /nfs/dbraw/zinc/11/91/97/722119197.db2.gz SKCIOZFZLATVSC-SJORKVTESA-N 1 2 433.534 1.011 20 0 IDADLO COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981081 722119198 /nfs/dbraw/zinc/11/91/98/722119198.db2.gz SKCIOZFZLATVSC-SJORKVTESA-N 1 2 433.534 1.011 20 0 IDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020664170 526626848 /nfs/dbraw/zinc/62/68/48/526626848.db2.gz GEBLBEQGKFGDAM-UHFFFAOYSA-N 1 2 447.532 1.805 20 0 IDADLO O=C(c1cccnc1N1CCC2(CC1)COCC(=O)N2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424784 718934930 /nfs/dbraw/zinc/93/49/30/718934930.db2.gz PZUJPLCNBJECOU-UHFFFAOYSA-N 1 2 449.555 1.525 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164634725 719273217 /nfs/dbraw/zinc/27/32/17/719273217.db2.gz MWRIVSLINDOPCX-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164634725 719273221 /nfs/dbraw/zinc/27/32/21/719273221.db2.gz MWRIVSLINDOPCX-UHFFFAOYSA-N 1 2 425.917 1.066 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)[nH]c-2n1 ZINC001164639122 719277441 /nfs/dbraw/zinc/27/74/41/719277441.db2.gz HTJDNMPSZUJBMJ-UHFFFAOYSA-N 1 2 429.521 1.499 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)[nH]c-2n1 ZINC001164639122 719277444 /nfs/dbraw/zinc/27/74/44/719277444.db2.gz HTJDNMPSZUJBMJ-UHFFFAOYSA-N 1 2 429.521 1.499 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nc2[nH]1 ZINC001164639122 719277446 /nfs/dbraw/zinc/27/74/46/719277446.db2.gz HTJDNMPSZUJBMJ-UHFFFAOYSA-N 1 2 429.521 1.499 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nc2[nH]1 ZINC001164639122 719277449 /nfs/dbraw/zinc/27/74/49/719277449.db2.gz HTJDNMPSZUJBMJ-UHFFFAOYSA-N 1 2 429.521 1.499 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccccc4OC)nn3)CC2)C1=O ZINC001164644989 719280771 /nfs/dbraw/zinc/28/07/71/719280771.db2.gz ZDLFDPRPGDAPJI-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccccc4OC)nn3)CC2)C1=O ZINC001164644989 719280778 /nfs/dbraw/zinc/28/07/78/719280778.db2.gz ZDLFDPRPGDAPJI-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4ccccc4OC)n3)CC2)C1=O ZINC001164644136 719281448 /nfs/dbraw/zinc/28/14/48/719281448.db2.gz FFLLEWAHVDEJJR-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4ccccc4OC)n3)CC2)C1=O ZINC001164644136 719281452 /nfs/dbraw/zinc/28/14/52/719281452.db2.gz FFLLEWAHVDEJJR-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6ncccn6)[C@@H]5C4)c3C2)cc1 ZINC001164693612 719795440 /nfs/dbraw/zinc/79/54/40/719795440.db2.gz BIMAZUAPWSVYIP-FGZHOGPDSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6ncccn6)[C@@H]5C4)c3C2)cc1 ZINC001164693612 719795450 /nfs/dbraw/zinc/79/54/50/719795450.db2.gz BIMAZUAPWSVYIP-FGZHOGPDSA-N 1 2 429.528 1.919 20 0 IDADLO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707089 719839308 /nfs/dbraw/zinc/83/93/08/719839308.db2.gz ZGNRKAKHWVTHEY-DJJJIMSYSA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707270 719846868 /nfs/dbraw/zinc/84/68/68/719846868.db2.gz ZYKHOSGFVASOLO-YJYMSZOUSA-N 1 2 426.901 1.539 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699384 719849444 /nfs/dbraw/zinc/84/94/44/719849444.db2.gz HZZXYDMUFYLDQO-DJJJIMSYSA-N 1 2 426.901 1.078 20 0 IDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1OCC ZINC001164705978 719853181 /nfs/dbraw/zinc/85/31/81/719853181.db2.gz VTNYLWCFJMOMRO-KSFYIVLOSA-N 1 2 435.521 1.890 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698486 719857214 /nfs/dbraw/zinc/85/72/14/719857214.db2.gz CQKUUNQBWIIPKT-KSFYIVLOSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)c1nc2cnccc2c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164704629 719859301 /nfs/dbraw/zinc/85/93/01/719859301.db2.gz SAPWCZRMLOLLEK-SZNDQCEHSA-N 1 2 429.477 1.044 20 0 IDADLO CCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(N2CCOCC2)n1 ZINC001164703503 719861755 /nfs/dbraw/zinc/86/17/55/719861755.db2.gz QCNVDOXHWYZISA-AVRDEDQJSA-N 1 2 433.553 1.108 20 0 IDADLO CCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(N2CCOCC2)n1 ZINC001164703507 719861787 /nfs/dbraw/zinc/86/17/87/719861787.db2.gz QCNVDOXHWYZISA-PGRDOPGGSA-N 1 2 433.553 1.108 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)Nc1cc(C)on1 ZINC001164707989 719866915 /nfs/dbraw/zinc/86/69/15/719866915.db2.gz XCJPWSJPNOSVJW-ZHRRBRCNSA-N 1 2 443.504 1.863 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164706796 719868266 /nfs/dbraw/zinc/86/82/66/719868266.db2.gz QMENMGQJIWPCPQ-CXAGYDPISA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164707208 719870357 /nfs/dbraw/zinc/87/03/57/719870357.db2.gz RCRRENVOQLQILO-SUMWQHHRSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164697540 719879847 /nfs/dbraw/zinc/87/98/47/719879847.db2.gz CHOIKXGQYQGBKS-JZKQVHKSSA-N 1 2 440.928 1.639 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164697009 719879994 /nfs/dbraw/zinc/87/99/94/719879994.db2.gz BJBGXPOTFAJMHV-XOBRGWDASA-N 1 2 439.944 1.503 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3nc1Cl)CC2 ZINC001164709200 719902176 /nfs/dbraw/zinc/90/21/76/719902176.db2.gz QKVDEXDPTITGCW-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164708897 719904555 /nfs/dbraw/zinc/90/45/55/719904555.db2.gz MHXKMQSHVNIGJU-UHFFFAOYSA-N 1 2 429.956 1.693 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164709518 719908260 /nfs/dbraw/zinc/90/82/60/719908260.db2.gz XUEZTXVLCBGKAY-UHFFFAOYSA-N 1 2 440.552 1.145 20 0 IDADLO CCOc1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164709572 719910546 /nfs/dbraw/zinc/91/05/46/719910546.db2.gz YOTYOPIVWCFBPO-UHFFFAOYSA-N 1 2 435.532 1.712 20 0 IDADLO CC1CCN(c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)CC1 ZINC001164708532 719924294 /nfs/dbraw/zinc/92/42/94/719924294.db2.gz KKCPDQBYUYUDSW-UHFFFAOYSA-N 1 2 438.580 1.397 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164708796 719927573 /nfs/dbraw/zinc/92/75/73/719927573.db2.gz QUMIQNASYDSAES-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705299 719939303 /nfs/dbraw/zinc/93/93/03/719939303.db2.gz XZIPFUADDOQEPS-UHFFFAOYSA-N 1 2 430.484 1.081 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718699 720234622 /nfs/dbraw/zinc/23/46/22/720234622.db2.gz HEHNSLNWVOBCKA-OAQYLSRUSA-N 1 2 438.956 1.885 20 0 IDADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718699 720234630 /nfs/dbraw/zinc/23/46/30/720234630.db2.gz HEHNSLNWVOBCKA-OAQYLSRUSA-N 1 2 438.956 1.885 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(OC)cc4nc3Cl)C2)C1 ZINC001164718714 720239090 /nfs/dbraw/zinc/23/90/90/720239090.db2.gz HKFLWILNJLJTRE-NRFANRHFSA-N 1 2 433.940 1.957 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(OC)cc4nc3Cl)C2)C1 ZINC001164718714 720239093 /nfs/dbraw/zinc/23/90/93/720239093.db2.gz HKFLWILNJLJTRE-NRFANRHFSA-N 1 2 433.940 1.957 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164719738 720244595 /nfs/dbraw/zinc/24/45/95/720244595.db2.gz OMBLLLJBECCKTQ-SFHVURJKSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164719738 720244603 /nfs/dbraw/zinc/24/46/03/720244603.db2.gz OMBLLLJBECCKTQ-SFHVURJKSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164719819 720247763 /nfs/dbraw/zinc/24/77/63/720247763.db2.gz PFMLYXDYUMBBNY-QHCPKHFHSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164719819 720247776 /nfs/dbraw/zinc/24/77/76/720247776.db2.gz PFMLYXDYUMBBNY-QHCPKHFHSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(-c4ccccc4)n3)C2)C1 ZINC001164718982 720262390 /nfs/dbraw/zinc/26/23/90/720262390.db2.gz JTVXJNOBPCZRAV-JOCHJYFZSA-N 1 2 426.521 1.212 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(-c4ccccc4)n3)C2)C1 ZINC001164718982 720262398 /nfs/dbraw/zinc/26/23/98/720262398.db2.gz JTVXJNOBPCZRAV-JOCHJYFZSA-N 1 2 426.521 1.212 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164723761 720274906 /nfs/dbraw/zinc/27/49/06/720274906.db2.gz XZJJOEOABKMWJL-INIZCTEOSA-N 1 2 435.928 1.628 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C2)C1 ZINC001164723761 720274926 /nfs/dbraw/zinc/27/49/26/720274926.db2.gz XZJJOEOABKMWJL-INIZCTEOSA-N 1 2 435.928 1.628 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)c(C(=O)OC)c3OC)C2)C1 ZINC001164720953 720277866 /nfs/dbraw/zinc/27/78/66/720277866.db2.gz FZOQJVOXUJGROH-HXUWFJFHSA-N 1 2 440.928 1.195 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)c(C(=O)OC)c3OC)C2)C1 ZINC001164720953 720277871 /nfs/dbraw/zinc/27/78/71/720277871.db2.gz FZOQJVOXUJGROH-HXUWFJFHSA-N 1 2 440.928 1.195 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164723299 720286186 /nfs/dbraw/zinc/28/61/86/720286186.db2.gz WKFHFRQOWDIUBV-KRWDZBQOSA-N 1 2 433.887 1.262 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164723299 720286198 /nfs/dbraw/zinc/28/61/98/720286198.db2.gz WKFHFRQOWDIUBV-KRWDZBQOSA-N 1 2 433.887 1.262 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c4c(nnc3Cl)CCC4)C2)C1 ZINC001164721863 720289473 /nfs/dbraw/zinc/28/94/73/720289473.db2.gz MIFGVHYSKDMCRN-IBGZPJMESA-N 1 2 443.926 1.828 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c4c(nnc3Cl)CCC4)C2)C1 ZINC001164721863 720289478 /nfs/dbraw/zinc/28/94/78/720289478.db2.gz MIFGVHYSKDMCRN-IBGZPJMESA-N 1 2 443.926 1.828 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164723787 720305030 /nfs/dbraw/zinc/30/50/30/720305030.db2.gz PFVVNRIEKWKWJB-GOSISDBHSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164723787 720305039 /nfs/dbraw/zinc/30/50/39/720305039.db2.gz PFVVNRIEKWKWJB-GOSISDBHSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)C2)C1 ZINC001164722852 720308270 /nfs/dbraw/zinc/30/82/70/720308270.db2.gz MDEYASCOJUYRGH-XOBRGWDASA-N 1 2 439.944 1.071 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)C2)C1 ZINC001164722852 720308272 /nfs/dbraw/zinc/30/82/72/720308272.db2.gz MDEYASCOJUYRGH-XOBRGWDASA-N 1 2 439.944 1.071 20 0 IDADLO CCOC(=O)c1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164830787 720357203 /nfs/dbraw/zinc/35/72/03/720357203.db2.gz XBIXSSXELNCYBS-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164830787 720357212 /nfs/dbraw/zinc/35/72/12/720357212.db2.gz XBIXSSXELNCYBS-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)ncc4C(N)=O)CC3)C2=O)cs1 ZINC001164823208 720359920 /nfs/dbraw/zinc/35/99/20/720359920.db2.gz BXTAHLDIGVMVOI-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)ncc4C(N)=O)CC3)C2=O)cs1 ZINC001164823208 720359925 /nfs/dbraw/zinc/35/99/25/720359925.db2.gz BXTAHLDIGVMVOI-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(N)=O)c(Cl)cn4)CC3)C2=O)cs1 ZINC001164825706 720360204 /nfs/dbraw/zinc/36/02/04/720360204.db2.gz TYFWDWDZKQHAOT-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(N)=O)c(Cl)cn4)CC3)C2=O)cs1 ZINC001164825706 720360210 /nfs/dbraw/zinc/36/02/10/720360210.db2.gz TYFWDWDZKQHAOT-UHFFFAOYSA-N 1 2 448.980 1.912 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)CCCN5)CC3)C2=O)cs1 ZINC001164820355 720369694 /nfs/dbraw/zinc/36/96/94/720369694.db2.gz OEFKZYCNBGBQJW-UHFFFAOYSA-N 1 2 427.578 1.913 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)CCCN5)CC3)C2=O)cs1 ZINC001164820355 720369703 /nfs/dbraw/zinc/36/97/03/720369703.db2.gz OEFKZYCNBGBQJW-UHFFFAOYSA-N 1 2 427.578 1.913 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc(Cl)c4C(N)=O)CC3)C2=O)cs1 ZINC001164819328 720373370 /nfs/dbraw/zinc/37/33/70/720373370.db2.gz CSKXNVXWVKTLEZ-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc(Cl)c4C(N)=O)CC3)C2=O)cs1 ZINC001164819328 720373374 /nfs/dbraw/zinc/37/33/74/720373374.db2.gz CSKXNVXWVKTLEZ-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(-n5cncn5)n4)CC3)C2=O)cs1 ZINC001164825258 720381814 /nfs/dbraw/zinc/38/18/14/720381814.db2.gz URLPPOIXISMKSX-UHFFFAOYSA-N 1 2 439.549 1.135 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(-n5cncn5)n4)CC3)C2=O)cs1 ZINC001164825258 720381820 /nfs/dbraw/zinc/38/18/20/720381820.db2.gz URLPPOIXISMKSX-UHFFFAOYSA-N 1 2 439.549 1.135 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(NC(N)=S)cn4)CC3)C2=O)cs1 ZINC001164822309 720382134 /nfs/dbraw/zinc/38/21/34/720382134.db2.gz LGBMXGWPHDUQAQ-UHFFFAOYSA-N 1 2 445.618 1.815 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(NC(N)=S)cn4)CC3)C2=O)cs1 ZINC001164822309 720382141 /nfs/dbraw/zinc/38/21/41/720382141.db2.gz LGBMXGWPHDUQAQ-UHFFFAOYSA-N 1 2 445.618 1.815 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164827678 720427420 /nfs/dbraw/zinc/42/74/20/720427420.db2.gz VFMJXIUIVRKFFL-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164829000 720427750 /nfs/dbraw/zinc/42/77/50/720427750.db2.gz YSLGBRNBYFKZCV-INIZCTEOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164823689 720428587 /nfs/dbraw/zinc/42/85/87/720428587.db2.gz JAGNNCZJGAZFMS-LJQANCHMSA-N 1 2 441.580 1.653 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCC3)C2 ZINC001164824011 720435229 /nfs/dbraw/zinc/43/52/29/720435229.db2.gz KUSCBITZVWVFMI-HNNXBMFYSA-N 1 2 432.956 1.805 20 0 IDADLO CCOC(=O)c1cc(F)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826249 720438325 /nfs/dbraw/zinc/43/83/25/720438325.db2.gz VFLGBIFDLHFJID-INIZCTEOSA-N 1 2 447.511 1.584 20 0 IDADLO CCOC(=O)c1cnc(C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825281 720442739 /nfs/dbraw/zinc/44/27/39/720442739.db2.gz RDHBDLFZDZWAKE-KRWDZBQOSA-N 1 2 444.536 1.148 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164825613 720442937 /nfs/dbraw/zinc/44/29/37/720442937.db2.gz SRBTYHBHXAKLLW-GOSISDBHSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164826402 720452950 /nfs/dbraw/zinc/45/29/50/720452950.db2.gz WDLMOGIBXFKFDO-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001164832289 720456347 /nfs/dbraw/zinc/45/63/47/720456347.db2.gz SSMXRYAVNUZREK-AWEZNQCLSA-N 1 2 446.939 1.416 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cccc(F)c31)C2 ZINC001164828905 720456707 /nfs/dbraw/zinc/45/67/07/720456707.db2.gz CDOVXKHLKZTUPW-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO CCN(CC)c1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829942 720463990 /nfs/dbraw/zinc/46/39/90/720463990.db2.gz IDVODTOSJKDVJR-GOSISDBHSA-N 1 2 429.569 1.509 20 0 IDADLO COC(OC)c1cc(C)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832237 720465261 /nfs/dbraw/zinc/46/52/61/720465261.db2.gz RPZPPTVSEVVFAZ-SFHVURJKSA-N 1 2 445.564 1.868 20 0 IDADLO CCCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830736 720470573 /nfs/dbraw/zinc/47/05/73/720470573.db2.gz LORPMGVKIDQAIB-GOSISDBHSA-N 1 2 442.564 1.408 20 0 IDADLO CC(C)COc1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164834088 720477086 /nfs/dbraw/zinc/47/70/86/720477086.db2.gz RKQMHHPLJLFVQK-SFHVURJKSA-N 1 2 430.553 1.698 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001165010555 721717352 /nfs/dbraw/zinc/71/73/52/721717352.db2.gz IVHJJISGLDOCAE-UHFFFAOYSA-N 1 2 428.541 1.227 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001165010555 721717359 /nfs/dbraw/zinc/71/73/59/721717359.db2.gz IVHJJISGLDOCAE-UHFFFAOYSA-N 1 2 428.541 1.227 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001165015351 721765919 /nfs/dbraw/zinc/76/59/19/721765919.db2.gz OUDHAAVSSINAGZ-SFHVURJKSA-N 1 2 434.863 1.180 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911340 721777082 /nfs/dbraw/zinc/77/70/82/721777082.db2.gz GICZWAKYXGABLQ-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911340 721777088 /nfs/dbraw/zinc/77/70/88/721777088.db2.gz GICZWAKYXGABLQ-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911344 721777469 /nfs/dbraw/zinc/77/74/69/721777469.db2.gz GICZWAKYXGABLQ-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911344 721777473 /nfs/dbraw/zinc/77/74/73/721777473.db2.gz GICZWAKYXGABLQ-QFIPXVFZSA-N 1 2 428.489 1.380 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164917123 721781097 /nfs/dbraw/zinc/78/10/97/721781097.db2.gz WWJJDGAAEKKAOI-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164917123 721781098 /nfs/dbraw/zinc/78/10/98/721781098.db2.gz WWJJDGAAEKKAOI-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO O=C1NCc2c1c(N1CCO[C@]3(C1)COCC[N@H+](Cc1cccnc1)C3)nc(Cl)c2F ZINC001164914111 721785785 /nfs/dbraw/zinc/78/57/85/721785785.db2.gz BWBBNZKDVGTSPK-OAQYLSRUSA-N 1 2 447.898 1.620 20 0 IDADLO O=C1NCc2c1c(N1CCO[C@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)nc(Cl)c2F ZINC001164914111 721785787 /nfs/dbraw/zinc/78/57/87/721785787.db2.gz BWBBNZKDVGTSPK-OAQYLSRUSA-N 1 2 447.898 1.620 20 0 IDADLO O=C1NCc2c1c(N1CCO[C@@]3(C1)COCC[N@H+](Cc1cccnc1)C3)nc(Cl)c2F ZINC001164914110 721786215 /nfs/dbraw/zinc/78/62/15/721786215.db2.gz BWBBNZKDVGTSPK-NRFANRHFSA-N 1 2 447.898 1.620 20 0 IDADLO O=C1NCc2c1c(N1CCO[C@@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)nc(Cl)c2F ZINC001164914110 721786220 /nfs/dbraw/zinc/78/62/20/721786220.db2.gz BWBBNZKDVGTSPK-NRFANRHFSA-N 1 2 447.898 1.620 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914422 721792408 /nfs/dbraw/zinc/79/24/08/721792408.db2.gz DBNWERSHMRURPD-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914422 721792412 /nfs/dbraw/zinc/79/24/12/721792412.db2.gz DBNWERSHMRURPD-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO S=c1nc2[nH]cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c-2s1 ZINC001164914932 721792441 /nfs/dbraw/zinc/79/24/41/721792441.db2.gz IJKSJQUZDGWSRN-IBGZPJMESA-N 1 2 430.559 1.878 20 0 IDADLO S=c1nc2[nH]cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c-2s1 ZINC001164914932 721792447 /nfs/dbraw/zinc/79/24/47/721792447.db2.gz IJKSJQUZDGWSRN-IBGZPJMESA-N 1 2 430.559 1.878 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914025 721796467 /nfs/dbraw/zinc/79/64/67/721796467.db2.gz KCBOWYKGTMOCED-QHCPKHFHSA-N 1 2 434.500 1.130 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914025 721796471 /nfs/dbraw/zinc/79/64/71/721796471.db2.gz KCBOWYKGTMOCED-QHCPKHFHSA-N 1 2 434.500 1.130 20 0 IDADLO COC(=O)CSc1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914355 721797087 /nfs/dbraw/zinc/79/70/87/721797087.db2.gz MCNSCIZWVOWXBB-OAQYLSRUSA-N 1 2 445.545 1.245 20 0 IDADLO COC(=O)CSc1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914355 721797089 /nfs/dbraw/zinc/79/70/89/721797089.db2.gz MCNSCIZWVOWXBB-OAQYLSRUSA-N 1 2 445.545 1.245 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913557 721801612 /nfs/dbraw/zinc/80/16/12/721801612.db2.gz FIDKNAVRKNBQEL-OAQYLSRUSA-N 1 2 446.939 1.383 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913557 721801615 /nfs/dbraw/zinc/80/16/15/721801615.db2.gz FIDKNAVRKNBQEL-OAQYLSRUSA-N 1 2 446.939 1.383 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001164917060 721817589 /nfs/dbraw/zinc/81/75/89/721817589.db2.gz BAAPJUUSUFIURU-UHFFFAOYSA-N 1 2 446.577 1.049 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC001164917242 721818940 /nfs/dbraw/zinc/81/89/40/721818940.db2.gz FIXVZOUCVXETAE-UHFFFAOYSA-N 1 2 430.578 1.812 20 0 IDADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4[C@H](C3)OCCN4Cc3c(C)noc3C)c12 ZINC001164941235 721939696 /nfs/dbraw/zinc/93/96/96/721939696.db2.gz GSWAUWBGPHLGAJ-SJORKVTESA-N 1 2 426.477 1.829 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946822 721973384 /nfs/dbraw/zinc/97/33/84/721973384.db2.gz WPQPRFIHTJHNEL-UHFFFAOYSA-N 1 2 439.516 1.633 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946822 721973385 /nfs/dbraw/zinc/97/33/85/721973385.db2.gz WPQPRFIHTJHNEL-UHFFFAOYSA-N 1 2 439.516 1.633 20 0 IDADLO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2N1C ZINC001164945146 721974265 /nfs/dbraw/zinc/97/42/65/721974265.db2.gz DUFOHBAIZWOABX-MRXNPFEDSA-N 1 2 435.532 1.224 20 0 IDADLO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2N1C ZINC001164945146 721974266 /nfs/dbraw/zinc/97/42/66/721974266.db2.gz DUFOHBAIZWOABX-MRXNPFEDSA-N 1 2 435.532 1.224 20 0 IDADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946694 721978190 /nfs/dbraw/zinc/97/81/90/721978190.db2.gz KFMOQZUYIBGKOT-UHFFFAOYSA-N 1 2 443.573 1.351 20 0 IDADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946694 721978194 /nfs/dbraw/zinc/97/81/94/721978194.db2.gz KFMOQZUYIBGKOT-UHFFFAOYSA-N 1 2 443.573 1.351 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164977913 722156417 /nfs/dbraw/zinc/15/64/17/722156417.db2.gz ZHCWGMJWMRKRAX-DOTOQJQBSA-N 1 2 449.964 1.582 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164977913 722156419 /nfs/dbraw/zinc/15/64/19/722156419.db2.gz ZHCWGMJWMRKRAX-DOTOQJQBSA-N 1 2 449.964 1.582 20 0 IDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164986688 722176137 /nfs/dbraw/zinc/17/61/37/722176137.db2.gz KVCPDMSFBAMAIM-RTBURBONSA-N 1 2 430.578 1.948 20 0 IDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164986688 722176139 /nfs/dbraw/zinc/17/61/39/722176139.db2.gz KVCPDMSFBAMAIM-RTBURBONSA-N 1 2 430.578 1.948 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164633852 719272425 /nfs/dbraw/zinc/27/24/25/719272425.db2.gz IXQRWLREJQLGPD-UHFFFAOYSA-N 1 2 430.940 1.951 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164633852 719272433 /nfs/dbraw/zinc/27/24/33/719272433.db2.gz IXQRWLREJQLGPD-UHFFFAOYSA-N 1 2 430.940 1.951 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)C1=O ZINC001164637912 719278647 /nfs/dbraw/zinc/27/86/47/719278647.db2.gz AYKPTZMFJARMFL-UHFFFAOYSA-N 1 2 435.928 1.723 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)C1=O ZINC001164637912 719278652 /nfs/dbraw/zinc/27/86/52/719278652.db2.gz AYKPTZMFJARMFL-UHFFFAOYSA-N 1 2 435.928 1.723 20 0 IDADLO COC(=O)c1ccc2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ncc2c1 ZINC001164698070 719843762 /nfs/dbraw/zinc/84/37/62/719843762.db2.gz DXFCQTQKEQMEIA-VGOFRKELSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(N(C)C)n1 ZINC001164701553 719859465 /nfs/dbraw/zinc/85/94/65/719859465.db2.gz LBYIOFSVUKZMFM-JPYJTQIMSA-N 1 2 440.548 1.837 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1N(C)CCO2 ZINC001164707865 719865176 /nfs/dbraw/zinc/86/51/76/719865176.db2.gz WKFIRYPCWVMDOT-ORAYPTAESA-N 1 2 425.917 1.191 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC001164708146 719868445 /nfs/dbraw/zinc/86/84/45/719868445.db2.gz XREQMMAMVAAPKZ-JXFKEZNVSA-N 1 2 440.566 1.001 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)cc2C1 ZINC001164708547 719869288 /nfs/dbraw/zinc/86/92/88/719869288.db2.gz ZUCNBBYOWGUGEZ-VGOFRKELSA-N 1 2 447.536 1.224 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)ncnc21 ZINC001164705701 719875191 /nfs/dbraw/zinc/87/51/91/719875191.db2.gz NWYHTPBUIBXXGQ-ADLMAVQZSA-N 1 2 441.319 1.959 20 0 IDADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)n1 ZINC001164704918 719879290 /nfs/dbraw/zinc/87/92/90/719879290.db2.gz XGNRHVXJLZHTKY-ZMZPIMSZSA-N 1 2 447.319 1.803 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164696998 719880133 /nfs/dbraw/zinc/88/01/33/719880133.db2.gz BJBGXPOTFAJMHV-JLTOFOAXSA-N 1 2 439.944 1.503 20 0 IDADLO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164697001 719880207 /nfs/dbraw/zinc/88/02/07/719880207.db2.gz BJBGXPOTFAJMHV-VBKZILBWSA-N 1 2 439.944 1.503 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698922 719880218 /nfs/dbraw/zinc/88/02/18/719880218.db2.gz GCFCZDKIPLZXDT-BFUOFWGJSA-N 1 2 425.917 1.112 20 0 IDADLO Cc1cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(Cl)n1 ZINC001164702338 719904000 /nfs/dbraw/zinc/90/40/00/719904000.db2.gz FMCQREJHRAIFEG-UHFFFAOYSA-N 1 2 439.898 1.667 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164708866 719913587 /nfs/dbraw/zinc/91/35/87/719913587.db2.gz KYLCWMUKYNRMKE-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO COC(=O)/C=C/c1cc(C)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709097 719916991 /nfs/dbraw/zinc/91/69/91/719916991.db2.gz XVPUWHXMQJYWMY-AATRIKPKSA-N 1 2 438.532 1.260 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164708969 719922233 /nfs/dbraw/zinc/92/22/33/719922233.db2.gz VSHJTIIJVCOVSY-UHFFFAOYSA-N 1 2 437.573 1.864 20 0 IDADLO Cc1nc(-c2ccccn2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164709121 719931900 /nfs/dbraw/zinc/93/19/00/719931900.db2.gz YABGCFHTGDVPKV-UHFFFAOYSA-N 1 2 446.559 1.839 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164708326 719936485 /nfs/dbraw/zinc/93/64/85/719936485.db2.gz JKCMMFFIRGTSHS-UHFFFAOYSA-N 1 2 435.507 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164705200 719939295 /nfs/dbraw/zinc/93/92/95/719939295.db2.gz WHHWONXFFVUCJZ-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164705496 719939344 /nfs/dbraw/zinc/93/93/44/719939344.db2.gz ZHIKNEQBNKDEBI-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164711502 720049111 /nfs/dbraw/zinc/04/91/11/720049111.db2.gz IDWQZADJODINLR-UHFFFAOYSA-N 1 2 448.506 1.934 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164718518 720217939 /nfs/dbraw/zinc/21/79/39/720217939.db2.gz MTKLOAPKBJMXKO-HSZRJFAPSA-N 1 2 429.565 1.373 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164718518 720217944 /nfs/dbraw/zinc/21/79/44/720217944.db2.gz MTKLOAPKBJMXKO-HSZRJFAPSA-N 1 2 429.565 1.373 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(cccc4C(=O)OC)n3)C2)C1 ZINC001164720705 720235074 /nfs/dbraw/zinc/23/50/74/720235074.db2.gz ZXNBXVVGKXYDGU-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(cccc4C(=O)OC)n3)C2)C1 ZINC001164720705 720235082 /nfs/dbraw/zinc/23/50/82/720235082.db2.gz ZXNBXVVGKXYDGU-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)cc1OCC ZINC001164720278 720245690 /nfs/dbraw/zinc/24/56/90/720245690.db2.gz TZCPEEADVOPXCH-QFIPXVFZSA-N 1 2 434.537 1.322 20 0 IDADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)cc1OCC ZINC001164720278 720245703 /nfs/dbraw/zinc/24/57/03/720245703.db2.gz TZCPEEADVOPXCH-QFIPXVFZSA-N 1 2 434.537 1.322 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164719818 720249197 /nfs/dbraw/zinc/24/91/97/720249197.db2.gz PFMLYXDYUMBBNY-HSZRJFAPSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(OCc4ccccc4)n3)C2)C1 ZINC001164719818 720249206 /nfs/dbraw/zinc/24/92/06/720249206.db2.gz PFMLYXDYUMBBNY-HSZRJFAPSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(OC)c(Cl)n3)C2)C1 ZINC001164719402 720260952 /nfs/dbraw/zinc/26/09/52/720260952.db2.gz MKDBHSCDTQLLTM-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(OC)c(Cl)n3)C2)C1 ZINC001164719402 720260957 /nfs/dbraw/zinc/26/09/57/720260957.db2.gz MKDBHSCDTQLLTM-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(OC)c4)n3)C2)C1 ZINC001164721600 720269832 /nfs/dbraw/zinc/26/98/32/720269832.db2.gz LUQFNUBGMRQIFR-HSZRJFAPSA-N 1 2 441.532 1.942 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(OC)c4)n3)C2)C1 ZINC001164721600 720269844 /nfs/dbraw/zinc/26/98/44/720269844.db2.gz LUQFNUBGMRQIFR-HSZRJFAPSA-N 1 2 441.532 1.942 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cncc(Cl)n3)C2)C1 ZINC001164720626 720290024 /nfs/dbraw/zinc/29/00/24/720290024.db2.gz BJPXBBMARDNGCP-QGZVFWFLSA-N 1 2 433.887 1.262 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cncc(Cl)n3)C2)C1 ZINC001164720626 720290030 /nfs/dbraw/zinc/29/00/30/720290030.db2.gz BJPXBBMARDNGCP-QGZVFWFLSA-N 1 2 433.887 1.262 20 0 IDADLO COC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825689 720360788 /nfs/dbraw/zinc/36/07/88/720360788.db2.gz TVEZEDXXECDGSA-UHFFFAOYSA-N 1 2 429.546 1.946 20 0 IDADLO COC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825689 720360793 /nfs/dbraw/zinc/36/07/93/720360793.db2.gz TVEZEDXXECDGSA-UHFFFAOYSA-N 1 2 429.546 1.946 20 0 IDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1N ZINC001164825709 720364311 /nfs/dbraw/zinc/36/43/11/720364311.db2.gz UBJWQGHOWDCZGE-UHFFFAOYSA-N 1 2 444.561 1.529 20 0 IDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1N ZINC001164825709 720364322 /nfs/dbraw/zinc/36/43/22/720364322.db2.gz UBJWQGHOWDCZGE-UHFFFAOYSA-N 1 2 444.561 1.529 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)N(C)C)cn4)CC3)C2=O)cs1 ZINC001164824851 720366066 /nfs/dbraw/zinc/36/60/66/720366066.db2.gz ORJLJBGPUSCRAG-UHFFFAOYSA-N 1 2 442.589 1.862 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)N(C)C)cn4)CC3)C2=O)cs1 ZINC001164824851 720366070 /nfs/dbraw/zinc/36/60/70/720366070.db2.gz ORJLJBGPUSCRAG-UHFFFAOYSA-N 1 2 442.589 1.862 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ccc4C(N)=O)CC3)C2=O)cs1 ZINC001164820741 720377530 /nfs/dbraw/zinc/37/75/30/720377530.db2.gz SIZOSARCEGMENZ-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ccc4C(N)=O)CC3)C2=O)cs1 ZINC001164820741 720377535 /nfs/dbraw/zinc/37/75/35/720377535.db2.gz SIZOSARCEGMENZ-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164827035 720427265 /nfs/dbraw/zinc/42/72/65/720427265.db2.gz QNEYWCPEQOVSGZ-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO COc1cnc(SC)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822426 720432852 /nfs/dbraw/zinc/43/28/52/720432852.db2.gz FAPTUEHCQBRWAI-HNNXBMFYSA-N 1 2 434.566 1.393 20 0 IDADLO COC(=O)c1ccc(C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822751 720435189 /nfs/dbraw/zinc/43/51/89/720435189.db2.gz HNYLQHADYXUWRF-KRWDZBQOSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(C(N)=O)n1)C2 ZINC001164826463 720435252 /nfs/dbraw/zinc/43/52/52/720435252.db2.gz XHDSQKLAAWMJPS-AWEZNQCLSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164824550 720437623 /nfs/dbraw/zinc/43/76/23/720437623.db2.gz NXADCEGBXOOMMX-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ncccc31)C2 ZINC001164823441 720438233 /nfs/dbraw/zinc/43/82/33/720438233.db2.gz JXOCXHRTXZQNSQ-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO COc1ccc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2c1 ZINC001164825624 720443334 /nfs/dbraw/zinc/44/33/34/720443334.db2.gz SUWOHMKMQZKYGP-GOSISDBHSA-N 1 2 438.532 1.825 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164827101 720447101 /nfs/dbraw/zinc/44/71/01/720447101.db2.gz ZDGAKNFWRUFUCB-INIZCTEOSA-N 1 2 441.532 1.673 20 0 IDADLO CCOC(=O)c1cc(C)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824642 720452392 /nfs/dbraw/zinc/45/23/92/720452392.db2.gz OKBAJGSYMFPMCY-SFHVURJKSA-N 1 2 443.548 1.753 20 0 IDADLO C[C@H]1CC(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164824720 720455137 /nfs/dbraw/zinc/45/51/37/720455137.db2.gz PRJNELXIOCJDLG-JKSUJKDBSA-N 1 2 441.536 1.108 20 0 IDADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164830239 720455531 /nfs/dbraw/zinc/45/55/31/720455531.db2.gz JTBMXMRGDISVPE-SFHVURJKSA-N 1 2 438.532 1.825 20 0 IDADLO CCOc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833095 720456000 /nfs/dbraw/zinc/45/60/00/720456000.db2.gz YNBBXJMSHNXYRM-HNNXBMFYSA-N 1 2 436.944 1.715 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164829663 720458833 /nfs/dbraw/zinc/45/88/33/720458833.db2.gz GNCQVXJITHCHNE-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1C ZINC001164832767 720459244 /nfs/dbraw/zinc/45/92/44/720459244.db2.gz WVGGWNSTXXWIND-QGZVFWFLSA-N 1 2 429.521 1.363 20 0 IDADLO COc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC001164828874 720459480 /nfs/dbraw/zinc/45/94/80/720459480.db2.gz BPNYGARQMSLAST-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO CCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829327 720461038 /nfs/dbraw/zinc/46/10/38/720461038.db2.gz FQSKPPGHBPDEQU-QGZVFWFLSA-N 1 2 428.537 1.017 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3cc(F)ccc3n1)C2 ZINC001164829184 720464052 /nfs/dbraw/zinc/46/40/52/720464052.db2.gz DEMIWVRLQRNKGY-QGZVFWFLSA-N 1 2 426.496 1.955 20 0 IDADLO COc1cnc2c(c1)ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833074 720466463 /nfs/dbraw/zinc/46/64/63/720466463.db2.gz YBLORWNRFFVGCP-MRXNPFEDSA-N 1 2 439.520 1.220 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164831806 720472172 /nfs/dbraw/zinc/47/21/72/720472172.db2.gz QZAYJLHQSZOYRA-LJQANCHMSA-N 1 2 435.532 1.725 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164831805 720472291 /nfs/dbraw/zinc/47/22/91/720472291.db2.gz QZAYJLHQSZOYRA-IBGZPJMESA-N 1 2 435.532 1.725 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164834811 720484350 /nfs/dbraw/zinc/48/43/50/720484350.db2.gz VHHJHSXCVUKFED-KUHUBIRLSA-N 1 2 440.907 1.444 20 0 IDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164857920 720895966 /nfs/dbraw/zinc/89/59/66/720895966.db2.gz KSMWIBZCBKHACS-UHFFFAOYSA-N 1 2 437.838 1.809 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3scnc3c(N3CCOCC3)n1)C2 ZINC001165009732 721700310 /nfs/dbraw/zinc/70/03/10/721700310.db2.gz CHTRJRDEDVGKCW-UHFFFAOYSA-N 1 2 443.581 1.765 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3scnc3c(N3CCOCC3)n1)C2 ZINC001165009732 721700312 /nfs/dbraw/zinc/70/03/12/721700312.db2.gz CHTRJRDEDVGKCW-UHFFFAOYSA-N 1 2 443.581 1.765 20 0 IDADLO COC(=O)C1CCN(c2nccnc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001165008235 721709118 /nfs/dbraw/zinc/70/91/18/721709118.db2.gz CXHJCBJJXFFBTK-UHFFFAOYSA-N 1 2 442.568 1.708 20 0 IDADLO COC(=O)C1CCN(c2nccnc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001165008235 721709121 /nfs/dbraw/zinc/70/91/21/721709121.db2.gz CXHJCBJJXFFBTK-UHFFFAOYSA-N 1 2 442.568 1.708 20 0 IDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(CN5CCOCC5)cn4)CCO3)C2)c1 ZINC001164913630 721770181 /nfs/dbraw/zinc/77/01/81/721770181.db2.gz YWKXFHZLMBZHKE-DEOSSOPVSA-N 1 2 439.560 1.417 20 0 IDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(CN5CCOCC5)cn4)CCO3)C2)c1 ZINC001164913630 721770183 /nfs/dbraw/zinc/77/01/83/721770183.db2.gz YWKXFHZLMBZHKE-DEOSSOPVSA-N 1 2 439.560 1.417 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912422 721780160 /nfs/dbraw/zinc/78/01/60/721780160.db2.gz LSRNQZMMHXAONC-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912422 721780161 /nfs/dbraw/zinc/78/01/61/721780161.db2.gz LSRNQZMMHXAONC-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)CC1 ZINC001164918694 721817038 /nfs/dbraw/zinc/81/70/38/721817038.db2.gz RIPFOZAZJQSCBV-UHFFFAOYSA-N 1 2 439.564 1.812 20 0 IDADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164949419 721980413 /nfs/dbraw/zinc/98/04/13/721980413.db2.gz PRUKKEWJKGLOMB-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164949419 721980417 /nfs/dbraw/zinc/98/04/17/721980417.db2.gz PRUKKEWJKGLOMB-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055759 722015929 /nfs/dbraw/zinc/01/59/29/722015929.db2.gz KPATVTMENQKCFJ-UHFFFAOYSA-N 1 2 431.896 1.687 20 0 IDADLO Cn1cc(N2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3C2=O)cn1 ZINC001164972986 722094283 /nfs/dbraw/zinc/09/42/83/722094283.db2.gz ATEPMEVPVNRUIJ-UYAOXDASSA-N 1 2 429.528 1.868 20 0 IDADLO Cn1cc(N2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3C2=O)cn1 ZINC001164972986 722094284 /nfs/dbraw/zinc/09/42/84/722094284.db2.gz ATEPMEVPVNRUIJ-UYAOXDASSA-N 1 2 429.528 1.868 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981268 722099581 /nfs/dbraw/zinc/09/95/81/722099581.db2.gz KXICAXBKMDQEKN-HZPDHXFCSA-N 1 2 437.953 1.656 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981268 722099582 /nfs/dbraw/zinc/09/95/82/722099582.db2.gz KXICAXBKMDQEKN-HZPDHXFCSA-N 1 2 437.953 1.656 20 0 IDADLO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981079 722119308 /nfs/dbraw/zinc/11/93/08/722119308.db2.gz SKCIOZFZLATVSC-IAGOWNOFSA-N 1 2 433.534 1.011 20 0 IDADLO COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981079 722119312 /nfs/dbraw/zinc/11/93/12/722119312.db2.gz SKCIOZFZLATVSC-IAGOWNOFSA-N 1 2 433.534 1.011 20 0 IDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164986687 722176292 /nfs/dbraw/zinc/17/62/92/722176292.db2.gz KVCPDMSFBAMAIM-RBUKOAKNSA-N 1 2 430.578 1.948 20 0 IDADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164986687 722176296 /nfs/dbraw/zinc/17/62/96/722176296.db2.gz KVCPDMSFBAMAIM-RBUKOAKNSA-N 1 2 430.578 1.948 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164632783 719268672 /nfs/dbraw/zinc/26/86/72/719268672.db2.gz CJZIAVIWQKRJCJ-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164632783 719268678 /nfs/dbraw/zinc/26/86/78/719268678.db2.gz CJZIAVIWQKRJCJ-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(cccc4C(=O)OC)n3)CC2)C1=O ZINC001164635419 719271782 /nfs/dbraw/zinc/27/17/82/719271782.db2.gz QNTKDDLMLVAPSQ-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(cccc4C(=O)OC)n3)CC2)C1=O ZINC001164635419 719271785 /nfs/dbraw/zinc/27/17/85/719271785.db2.gz QNTKDDLMLVAPSQ-UHFFFAOYSA-N 1 2 427.505 1.176 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(C(=O)OC)ccc4n3)CC2)C1=O ZINC001164635376 719273282 /nfs/dbraw/zinc/27/32/82/719273282.db2.gz PGZHNEBOHRXAPX-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(C(=O)OC)ccc4n3)CC2)C1=O ZINC001164635376 719273285 /nfs/dbraw/zinc/27/32/85/719273285.db2.gz PGZHNEBOHRXAPX-UHFFFAOYSA-N 1 2 426.517 1.781 20 0 IDADLO CN1CC[NH+](Cc2cc3nc(N4CCCC(=O)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164645021 719286429 /nfs/dbraw/zinc/28/64/29/719286429.db2.gz AFKIJTGACGRMEB-UHFFFAOYSA-N 1 2 444.605 1.835 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164677920 719564891 /nfs/dbraw/zinc/56/48/91/719564891.db2.gz SCGAINOVCJSIEZ-UHFFFAOYSA-N 1 2 444.851 1.723 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703863 719839165 /nfs/dbraw/zinc/83/91/65/719839165.db2.gz QULVJDHEVXGMFN-JLTOFOAXSA-N 1 2 438.550 1.608 20 0 IDADLO CCOC(=O)c1cc(Cl)nnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707269 719846850 /nfs/dbraw/zinc/84/68/50/719846850.db2.gz ZYKHOSGFVASOLO-ORAYPTAESA-N 1 2 426.901 1.539 20 0 IDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1OCC ZINC001164705979 719853541 /nfs/dbraw/zinc/85/35/41/719853541.db2.gz VTNYLWCFJMOMRO-OPAMFIHVSA-N 1 2 435.521 1.890 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N(C)OC)cc(Cl)n1 ZINC001164703527 719856495 /nfs/dbraw/zinc/85/64/95/719856495.db2.gz QDLGPKUFDFOJRK-MGPUTAFESA-N 1 2 440.928 1.601 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698485 719857278 /nfs/dbraw/zinc/85/72/78/719857278.db2.gz CQKUUNQBWIIPKT-AOMKIAJQSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)Nc1cc(C)on1 ZINC001164707985 719867094 /nfs/dbraw/zinc/86/70/94/719867094.db2.gz XCJPWSJPNOSVJW-AOMKIAJQSA-N 1 2 443.504 1.863 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164706798 719868171 /nfs/dbraw/zinc/86/81/71/719868171.db2.gz QMENMGQJIWPCPQ-DYVFJYSZSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001164705742 719870334 /nfs/dbraw/zinc/87/03/34/719870334.db2.gz OJMFYOMNASCKIB-CVDCTZTESA-N 1 2 426.517 1.524 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)ncnc21 ZINC001164705702 719875105 /nfs/dbraw/zinc/87/51/05/719875105.db2.gz NWYHTPBUIBXXGQ-BBATYDOGSA-N 1 2 441.319 1.959 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164708687 719903508 /nfs/dbraw/zinc/90/35/08/719903508.db2.gz HDEBMCGGLILOAI-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc(C)c2c1 ZINC001164708905 719913385 /nfs/dbraw/zinc/91/33/85/719913385.db2.gz MULXWADQXURVLV-UHFFFAOYSA-N 1 2 435.532 1.631 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164708239 719920737 /nfs/dbraw/zinc/92/07/37/719920737.db2.gz FWHHNJWTSWCDLM-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164708318 719925582 /nfs/dbraw/zinc/92/55/82/719925582.db2.gz ISGXBTCEQWSFRR-UHFFFAOYSA-N 1 2 431.544 1.751 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164708564 719938333 /nfs/dbraw/zinc/93/83/33/719938333.db2.gz LDZIAPHAJYJBIG-UHFFFAOYSA-N 1 2 439.564 1.729 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164703838 719939363 /nfs/dbraw/zinc/93/93/63/719939363.db2.gz NLZQIAQBXGFWSC-UHFFFAOYSA-N 1 2 447.543 1.739 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164705470 720047227 /nfs/dbraw/zinc/04/72/27/720047227.db2.gz YTYWIAQWYAUBQC-UHFFFAOYSA-N 1 2 440.882 1.844 20 0 IDADLO Cc1c[nH]c2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164704206 720048616 /nfs/dbraw/zinc/04/86/16/720048616.db2.gz POXLWTJLEQZVOD-UHFFFAOYSA-N 1 2 428.928 1.604 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001164703112 720048748 /nfs/dbraw/zinc/04/87/48/720048748.db2.gz ITNPACBKVRDRFN-UHFFFAOYSA-N 1 2 440.882 1.844 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(OC)nc3Cl)C2)C1 ZINC001164718324 720245950 /nfs/dbraw/zinc/24/59/50/720245950.db2.gz DOAXPAGYAQQTCA-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(OC)nc3Cl)C2)C1 ZINC001164718324 720245956 /nfs/dbraw/zinc/24/59/56/720245956.db2.gz DOAXPAGYAQQTCA-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164724230 720276276 /nfs/dbraw/zinc/27/62/76/720276276.db2.gz ZVUCQZWOEOXSTO-DEOSSOPVSA-N 1 2 438.576 1.874 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C2)C1 ZINC001164724230 720276288 /nfs/dbraw/zinc/27/62/88/720276288.db2.gz ZVUCQZWOEOXSTO-DEOSSOPVSA-N 1 2 438.576 1.874 20 0 IDADLO CCOC(=O)c1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819738 720369137 /nfs/dbraw/zinc/36/91/37/720369137.db2.gz HTJAPDBQNSWNMJ-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819738 720369148 /nfs/dbraw/zinc/36/91/48/720369148.db2.gz HTJAPDBQNSWNMJ-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4[C@@H](C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821162 720372920 /nfs/dbraw/zinc/37/29/20/720372920.db2.gz YLXWHTXKSDINFV-CYBMUJFWSA-N 1 2 441.561 1.610 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4[C@@H](C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821162 720372924 /nfs/dbraw/zinc/37/29/24/720372924.db2.gz YLXWHTXKSDINFV-CYBMUJFWSA-N 1 2 441.561 1.610 20 0 IDADLO CN(C)c1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829071 720429178 /nfs/dbraw/zinc/42/91/78/720429178.db2.gz ZMMCRWUQHVWMOW-HNNXBMFYSA-N 1 2 435.960 1.382 20 0 IDADLO COC(=O)c1cnc(Cl)cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827089 720430688 /nfs/dbraw/zinc/43/06/88/720430688.db2.gz RDYAMEQHIBVAEX-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO Cc1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C(N)=O ZINC001164826392 720431812 /nfs/dbraw/zinc/43/18/12/720431812.db2.gz QFBSDIFDVSPVCD-OAHLLOKOSA-N 1 2 448.955 1.328 20 0 IDADLO COC(=O)c1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828134 720432243 /nfs/dbraw/zinc/43/22/43/720432243.db2.gz WKPUOZIHFRXHMV-GOSISDBHSA-N 1 2 429.521 1.363 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164827261 720433000 /nfs/dbraw/zinc/43/30/00/720433000.db2.gz ZSONJMCPQLUAOG-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO COc1cnc(SC)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822428 720433496 /nfs/dbraw/zinc/43/34/96/720433496.db2.gz FAPTUEHCQBRWAI-OAHLLOKOSA-N 1 2 434.566 1.393 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164821879 720434045 /nfs/dbraw/zinc/43/40/45/720434045.db2.gz ABHAFIHJYXQWEB-INIZCTEOSA-N 1 2 449.939 1.708 20 0 IDADLO CC(C)OC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822323 720438989 /nfs/dbraw/zinc/43/89/89/720438989.db2.gz CSBKZIQUMIKYFH-QGZVFWFLSA-N 1 2 444.536 1.228 20 0 IDADLO Cn1ccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164823451 720444420 /nfs/dbraw/zinc/44/44/20/720444420.db2.gz KCJGLBDACZZSBZ-HNNXBMFYSA-N 1 2 445.955 1.808 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cnc1Cl)C2 ZINC001164823455 720448110 /nfs/dbraw/zinc/44/81/10/720448110.db2.gz KDGCMMFXEXPMCL-CYBMUJFWSA-N 1 2 427.336 1.970 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccc(=O)n(C)c3n1)C2 ZINC001164826406 720454660 /nfs/dbraw/zinc/45/46/60/720454660.db2.gz WELKOPKKUQIJHA-SFHVURJKSA-N 1 2 438.532 1.120 20 0 IDADLO C[C@@H]1CC(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164824718 720455116 /nfs/dbraw/zinc/45/51/16/720455116.db2.gz PRJNELXIOCJDLG-HZPDHXFCSA-N 1 2 441.536 1.108 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001164832290 720456574 /nfs/dbraw/zinc/45/65/74/720456574.db2.gz SSMXRYAVNUZREK-CQSZACIVSA-N 1 2 446.939 1.416 20 0 IDADLO COC(=O)c1cc(C)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831299 720461005 /nfs/dbraw/zinc/46/10/05/720461005.db2.gz OKFOUWWDCKDMJB-KRWDZBQOSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164829999 720472185 /nfs/dbraw/zinc/47/21/85/720472185.db2.gz IPWNVCONMLIHJI-GOSISDBHSA-N 1 2 435.532 1.725 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164829158 720474919 /nfs/dbraw/zinc/47/49/19/720474919.db2.gz CUIFVAJFAIMGGN-GOSISDBHSA-N 1 2 435.532 1.725 20 0 IDADLO CC(C)COc1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164834087 720476127 /nfs/dbraw/zinc/47/61/27/720476127.db2.gz RKQMHHPLJLFVQK-GOSISDBHSA-N 1 2 430.553 1.698 20 0 IDADLO C[C@@H]1CCc2nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834104 720479248 /nfs/dbraw/zinc/47/92/48/720479248.db2.gz ROKXDTVSHZKCSE-IEBWSBKVSA-N 1 2 426.565 1.788 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3nccs3)n1)C2 ZINC001164831498 720482362 /nfs/dbraw/zinc/48/23/62/720482362.db2.gz GTIQEOMQCHQSAA-MRXNPFEDSA-N 1 2 441.561 1.786 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5OCCN(c6cnccn6)[C@H]5C4)c3C2)cc1 ZINC001164759451 721260084 /nfs/dbraw/zinc/26/00/84/721260084.db2.gz AKDQWKJNVMUWRK-VXKWHMMOSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5OCCN(c6cnccn6)[C@H]5C4)c3C2)cc1 ZINC001164759451 721260097 /nfs/dbraw/zinc/26/00/97/721260097.db2.gz AKDQWKJNVMUWRK-VXKWHMMOSA-N 1 2 429.528 1.919 20 0 IDADLO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4[nH+]cnc5[n-]cc(S(C)(=O)=O)c54)C3)O2)CC1 ZINC001164884510 721400503 /nfs/dbraw/zinc/40/05/03/721400503.db2.gz DOUKVVARACOXPR-HRAATJIYSA-N 1 2 448.593 1.127 20 0 IDADLO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800314 721594848 /nfs/dbraw/zinc/59/48/48/721594848.db2.gz OXZCMNMWCFNCLH-ZLNRFVROSA-N 1 2 449.555 1.630 20 0 IDADLO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800314 721594852 /nfs/dbraw/zinc/59/48/52/721594852.db2.gz OXZCMNMWCFNCLH-ZLNRFVROSA-N 1 2 449.555 1.630 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)C2 ZINC001165009676 721704319 /nfs/dbraw/zinc/70/43/19/721704319.db2.gz BYSRNIVYIXBUBG-OAHLLOKOSA-N 1 2 425.541 1.264 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)C2 ZINC001165009676 721704321 /nfs/dbraw/zinc/70/43/21/721704321.db2.gz BYSRNIVYIXBUBG-OAHLLOKOSA-N 1 2 425.541 1.264 20 0 IDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001165009844 721715208 /nfs/dbraw/zinc/71/52/08/721715208.db2.gz WIORCJSRTXSCHB-UHFFFAOYSA-N 1 2 440.552 1.754 20 0 IDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001165009844 721715216 /nfs/dbraw/zinc/71/52/16/721715216.db2.gz WIORCJSRTXSCHB-UHFFFAOYSA-N 1 2 440.552 1.754 20 0 IDADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165012005 721722099 /nfs/dbraw/zinc/72/20/99/721722099.db2.gz YDRZXTHQRHIATC-MRXNPFEDSA-N 1 2 427.553 1.987 20 0 IDADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165012005 721722101 /nfs/dbraw/zinc/72/21/01/721722101.db2.gz YDRZXTHQRHIATC-MRXNPFEDSA-N 1 2 427.553 1.987 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001165014511 721765789 /nfs/dbraw/zinc/76/57/89/721765789.db2.gz GOITVINAOGVWQE-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001165015365 721766200 /nfs/dbraw/zinc/76/62/00/721766200.db2.gz OVQBDFDQQXQJIR-LJQANCHMSA-N 1 2 433.875 1.785 20 0 IDADLO COC(=O)c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913041 721773004 /nfs/dbraw/zinc/77/30/04/721773004.db2.gz UGYHCCDFRDUYJS-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913041 721773010 /nfs/dbraw/zinc/77/30/10/721773010.db2.gz UGYHCCDFRDUYJS-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO CC(C)(C)C(=O)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917567 721782810 /nfs/dbraw/zinc/78/28/10/721782810.db2.gz YCVLGRUHWHDVKR-QHCPKHFHSA-N 1 2 440.548 1.964 20 0 IDADLO CC(C)(C)C(=O)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917567 721782814 /nfs/dbraw/zinc/78/28/14/721782814.db2.gz YCVLGRUHWHDVKR-QHCPKHFHSA-N 1 2 440.548 1.964 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916025 721783889 /nfs/dbraw/zinc/78/38/89/721783889.db2.gz NXRGGXKVSWDYRG-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916025 721783892 /nfs/dbraw/zinc/78/38/92/721783892.db2.gz NXRGGXKVSWDYRG-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916024 721784513 /nfs/dbraw/zinc/78/45/13/721784513.db2.gz NXRGGXKVSWDYRG-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1c(C)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916024 721784515 /nfs/dbraw/zinc/78/45/15/721784515.db2.gz NXRGGXKVSWDYRG-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917039 721785550 /nfs/dbraw/zinc/78/55/50/721785550.db2.gz WCMQRKFFIAVQHN-QFIPXVFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOC(=O)Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917039 721785552 /nfs/dbraw/zinc/78/55/52/721785552.db2.gz WCMQRKFFIAVQHN-QFIPXVFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOC(=O)c1ncnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164916317 721786032 /nfs/dbraw/zinc/78/60/32/721786032.db2.gz PRJIXEUWSJGEJS-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1ncnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164916317 721786036 /nfs/dbraw/zinc/78/60/36/721786036.db2.gz PRJIXEUWSJGEJS-QFIPXVFZSA-N 1 2 427.505 1.465 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915174 721786227 /nfs/dbraw/zinc/78/62/27/721786227.db2.gz JKQZICRSIMEADM-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915174 721786233 /nfs/dbraw/zinc/78/62/33/721786233.db2.gz JKQZICRSIMEADM-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)CSc1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915989 721791920 /nfs/dbraw/zinc/79/19/20/721791920.db2.gz MWVPEIQEKUHHFX-QFIPXVFZSA-N 1 2 444.557 1.850 20 0 IDADLO COC(=O)CSc1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915989 721791924 /nfs/dbraw/zinc/79/19/24/721791924.db2.gz MWVPEIQEKUHHFX-QFIPXVFZSA-N 1 2 444.557 1.850 20 0 IDADLO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)CC1 ZINC001164917577 721817354 /nfs/dbraw/zinc/81/73/54/721817354.db2.gz GHVOUDYQJCUPQK-UHFFFAOYSA-N 1 2 439.564 1.812 20 0 IDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917864 721818608 /nfs/dbraw/zinc/81/86/08/721818608.db2.gz KAXVJMCCZCQTPD-PMERELPUSA-N 1 2 432.550 1.337 20 0 IDADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164945663 721972849 /nfs/dbraw/zinc/97/28/49/721972849.db2.gz PMNDWPXHQKCMOP-UHFFFAOYSA-N 1 2 449.964 1.353 20 0 IDADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164945663 721972854 /nfs/dbraw/zinc/97/28/54/721972854.db2.gz PMNDWPXHQKCMOP-UHFFFAOYSA-N 1 2 449.964 1.353 20 0 IDADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948438 721975788 /nfs/dbraw/zinc/97/57/88/721975788.db2.gz ZFHUFFPTWBHXPB-UHFFFAOYSA-N 1 2 443.573 1.351 20 0 IDADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948438 721975792 /nfs/dbraw/zinc/97/57/92/721975792.db2.gz ZFHUFFPTWBHXPB-UHFFFAOYSA-N 1 2 443.573 1.351 20 0 IDADLO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946823 721978235 /nfs/dbraw/zinc/97/82/35/721978235.db2.gz LJIDAAJDLXGOLY-UHFFFAOYSA-N 1 2 443.573 1.303 20 0 IDADLO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946823 721978241 /nfs/dbraw/zinc/97/82/41/721978241.db2.gz LJIDAAJDLXGOLY-UHFFFAOYSA-N 1 2 443.573 1.303 20 0 IDADLO COC(=O)CSc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947383 721979635 /nfs/dbraw/zinc/97/96/35/721979635.db2.gz HFPVOCBBYDDDLP-UHFFFAOYSA-N 1 2 441.557 1.713 20 0 IDADLO COC(=O)CSc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947383 721979637 /nfs/dbraw/zinc/97/96/37/721979637.db2.gz HFPVOCBBYDDDLP-UHFFFAOYSA-N 1 2 441.557 1.713 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164977919 722156451 /nfs/dbraw/zinc/15/64/51/722156451.db2.gz ZHCWGMJWMRKRAX-WBVHZDCISA-N 1 2 449.964 1.582 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164977919 722156453 /nfs/dbraw/zinc/15/64/53/722156453.db2.gz ZHCWGMJWMRKRAX-WBVHZDCISA-N 1 2 449.964 1.582 20 0 IDADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164634643 719271638 /nfs/dbraw/zinc/27/16/38/719271638.db2.gz KTRZQJDZPYERFS-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164634643 719271639 /nfs/dbraw/zinc/27/16/39/719271639.db2.gz KTRZQJDZPYERFS-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164636786 719273831 /nfs/dbraw/zinc/27/38/31/719273831.db2.gz XBYGSUGQQHOKOA-UHFFFAOYSA-N 1 2 441.532 1.566 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164636786 719273834 /nfs/dbraw/zinc/27/38/34/719273834.db2.gz XBYGSUGQQHOKOA-UHFFFAOYSA-N 1 2 441.532 1.566 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COc3cccc(Cl)n3)CC2)C1=O ZINC001164637853 719276538 /nfs/dbraw/zinc/27/65/38/719276538.db2.gz ACOVUFDGQKCODB-UHFFFAOYSA-N 1 2 432.899 1.962 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COc3cccc(Cl)n3)CC2)C1=O ZINC001164637853 719276541 /nfs/dbraw/zinc/27/65/41/719276541.db2.gz ACOVUFDGQKCODB-UHFFFAOYSA-N 1 2 432.899 1.962 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(OC)nc(N4CCCCCC4)n3)CC2)C1=O ZINC001164639185 719279569 /nfs/dbraw/zinc/27/95/69/719279569.db2.gz JUCMPJSSBLKOJD-UHFFFAOYSA-N 1 2 447.584 1.020 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(OC)nc(N4CCCCCC4)n3)CC2)C1=O ZINC001164639185 719279570 /nfs/dbraw/zinc/27/95/70/719279570.db2.gz JUCMPJSSBLKOJD-UHFFFAOYSA-N 1 2 447.584 1.020 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)N4CCC[C@H](C)C4)cn3)CC2)C1=O ZINC001164644299 719279581 /nfs/dbraw/zinc/27/95/81/719279581.db2.gz HIOZSUJVRZIWGW-IBGZPJMESA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)N4CCC[C@H](C)C4)cn3)CC2)C1=O ZINC001164644299 719279582 /nfs/dbraw/zinc/27/95/82/719279582.db2.gz HIOZSUJVRZIWGW-IBGZPJMESA-N 1 2 443.592 1.713 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccccc4OC)ncn3)CC2)C1=O ZINC001164644850 719281172 /nfs/dbraw/zinc/28/11/72/719281172.db2.gz UJRKCBPSLTUILK-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccccc4OC)ncn3)CC2)C1=O ZINC001164644850 719281177 /nfs/dbraw/zinc/28/11/77/719281177.db2.gz UJRKCBPSLTUILK-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5[C@H](C4)OCCN5c4ncccn4)c3C2)cc1 ZINC001164693614 719795834 /nfs/dbraw/zinc/79/58/34/719795834.db2.gz BIMAZUAPWSVYIP-YADHBBJMSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5[C@H](C4)OCCN5c4ncccn4)c3C2)cc1 ZINC001164693614 719795841 /nfs/dbraw/zinc/79/58/41/719795841.db2.gz BIMAZUAPWSVYIP-YADHBBJMSA-N 1 2 429.528 1.919 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703864 719839249 /nfs/dbraw/zinc/83/92/49/719839249.db2.gz QULVJDHEVXGMFN-VBKZILBWSA-N 1 2 438.550 1.608 20 0 IDADLO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c12 ZINC001164699996 719845663 /nfs/dbraw/zinc/84/56/63/719845663.db2.gz JJRLFSZGAKYJLU-SPLOXXLWSA-N 1 2 431.493 1.367 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699385 719849581 /nfs/dbraw/zinc/84/95/81/719849581.db2.gz HZZXYDMUFYLDQO-ORAYPTAESA-N 1 2 426.901 1.078 20 0 IDADLO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698488 719857308 /nfs/dbraw/zinc/85/73/08/719857308.db2.gz CQKUUNQBWIIPKT-ZHRRBRCNSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)c2c1C(=O)NC2 ZINC001164704078 719857688 /nfs/dbraw/zinc/85/76/88/719857688.db2.gz QXUISZPNSFMJLO-WLRWDXFRSA-N 1 2 426.876 1.350 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)c2c1C(=O)NC2 ZINC001164704076 719857727 /nfs/dbraw/zinc/85/77/27/719857727.db2.gz QXUISZPNSFMJLO-JEOXALJRSA-N 1 2 426.876 1.350 20 0 IDADLO COC(=O)c1nc2cnccc2c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164704628 719859080 /nfs/dbraw/zinc/85/90/80/719859080.db2.gz SAPWCZRMLOLLEK-SPLOXXLWSA-N 1 2 429.477 1.044 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CO)ccc1NC(=O)C(C)(C)C ZINC001164698475 719863183 /nfs/dbraw/zinc/86/31/83/719863183.db2.gz CMNPKEZXFYEDCU-SBUREZEXSA-N 1 2 448.564 1.791 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1N(C)CCO2 ZINC001164707863 719864947 /nfs/dbraw/zinc/86/49/47/719864947.db2.gz WKFIRYPCWVMDOT-BFUOFWGJSA-N 1 2 425.917 1.191 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(N2CCCCCC2)n1 ZINC001164702323 719867409 /nfs/dbraw/zinc/86/74/09/719867409.db2.gz IIEOWCPPDHDTIO-VGSWGCGISA-N 1 2 448.568 1.493 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)cc2C1 ZINC001164708543 719869144 /nfs/dbraw/zinc/86/91/44/719869144.db2.gz ZUCNBBYOWGUGEZ-HTAPYJJXSA-N 1 2 447.536 1.224 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164704766 719903378 /nfs/dbraw/zinc/90/33/78/719903378.db2.gz RFTOVFJPOMPKAO-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COC(=O)c1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ccc2c1 ZINC001164708358 719904767 /nfs/dbraw/zinc/90/47/67/719904767.db2.gz ALBGMPDXQIHZPZ-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164708377 719909173 /nfs/dbraw/zinc/90/91/73/719909173.db2.gz BMULAQLBUPBVGF-UHFFFAOYSA-N 1 2 432.941 1.424 20 0 IDADLO CCOC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1C ZINC001164709553 719910692 /nfs/dbraw/zinc/91/06/92/719910692.db2.gz YJLGNNNNUJZCGF-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO COC(=O)c1cc2c[nH]c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc-2n1 ZINC001164708245 719919108 /nfs/dbraw/zinc/91/91/08/719919108.db2.gz GDACTOZIJYFMOW-UHFFFAOYSA-N 1 2 437.504 1.033 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164708230 719920160 /nfs/dbraw/zinc/92/01/60/719920160.db2.gz FPYXOJBMFJZVDZ-UHFFFAOYSA-N 1 2 430.563 1.059 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164708343 719920691 /nfs/dbraw/zinc/92/06/91/719920691.db2.gz JZSJNJWWFQBYIV-UHFFFAOYSA-N 1 2 443.555 1.926 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164708625 719925612 /nfs/dbraw/zinc/92/56/12/719925612.db2.gz NNQYLVTZPSTMCE-UHFFFAOYSA-N 1 2 436.495 1.362 20 0 IDADLO COC(=O)c1cc2ccccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708578 719929645 /nfs/dbraw/zinc/92/96/45/719929645.db2.gz LRIVFYVMBYLBBZ-UHFFFAOYSA-N 1 2 448.527 1.705 20 0 IDADLO COC(=O)c1ccc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704803 719931624 /nfs/dbraw/zinc/93/16/24/719931624.db2.gz SHNYMGJFXMWEHW-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164704836 719931713 /nfs/dbraw/zinc/93/17/13/719931713.db2.gz UDHFTVWVOYPIMM-UHFFFAOYSA-N 1 2 449.346 1.949 20 0 IDADLO Cc1nc(-c2ccncc2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164708054 719932285 /nfs/dbraw/zinc/93/22/85/719932285.db2.gz AXDYSZBDHPRRNQ-UHFFFAOYSA-N 1 2 446.559 1.839 20 0 IDADLO COC(=O)c1cc(Cl)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703709 719934259 /nfs/dbraw/zinc/93/42/59/719934259.db2.gz LTIXORMZDGUMPY-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO COC(=O)c1c(Cl)ccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705181 719934465 /nfs/dbraw/zinc/93/44/65/719934465.db2.gz VXNDIXMHIJLSNS-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164717258 720215269 /nfs/dbraw/zinc/21/52/69/720215269.db2.gz HKTZJAHHRKUIMQ-GOSISDBHSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164717258 720215279 /nfs/dbraw/zinc/21/52/79/720215279.db2.gz HKTZJAHHRKUIMQ-GOSISDBHSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(C(=O)OC)ccc4n3)C2)C1 ZINC001164720149 720223894 /nfs/dbraw/zinc/22/38/94/720223894.db2.gz WMWWWLWCRKKYDN-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(C(=O)OC)ccc4n3)C2)C1 ZINC001164720149 720223899 /nfs/dbraw/zinc/22/38/99/720223899.db2.gz WMWWWLWCRKKYDN-QFIPXVFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164717852 720223923 /nfs/dbraw/zinc/22/39/23/720223923.db2.gz JMWCDYSYNIECMI-GOSISDBHSA-N 1 2 446.930 1.406 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164717852 720223929 /nfs/dbraw/zinc/22/39/29/720223929.db2.gz JMWCDYSYNIECMI-GOSISDBHSA-N 1 2 446.930 1.406 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164720409 720245641 /nfs/dbraw/zinc/24/56/41/720245641.db2.gz VJDYREXCTYIMRB-QHCPKHFHSA-N 1 2 441.532 1.471 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164720409 720245653 /nfs/dbraw/zinc/24/56/53/720245653.db2.gz VJDYREXCTYIMRB-QHCPKHFHSA-N 1 2 441.532 1.471 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164720408 720247091 /nfs/dbraw/zinc/24/70/91/720247091.db2.gz VJDYREXCTYIMRB-HSZRJFAPSA-N 1 2 441.532 1.471 20 0 IDADLO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164720408 720247109 /nfs/dbraw/zinc/24/71/09/720247109.db2.gz VJDYREXCTYIMRB-HSZRJFAPSA-N 1 2 441.532 1.471 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719421 720248855 /nfs/dbraw/zinc/24/88/55/720248855.db2.gz MZQAOGSNKQUGLP-QFIPXVFZSA-N 1 2 431.537 1.196 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719421 720248866 /nfs/dbraw/zinc/24/88/66/720248866.db2.gz MZQAOGSNKQUGLP-QFIPXVFZSA-N 1 2 431.537 1.196 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(OC)c(Cl)n3)C2)C1 ZINC001164719403 720260533 /nfs/dbraw/zinc/26/05/33/720260533.db2.gz MKDBHSCDTQLLTM-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(OC)c(Cl)n3)C2)C1 ZINC001164719403 720260547 /nfs/dbraw/zinc/26/05/47/720260547.db2.gz MKDBHSCDTQLLTM-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164719391 720262195 /nfs/dbraw/zinc/26/21/95/720262195.db2.gz LWHLSGVZOMCTOP-QHCPKHFHSA-N 1 2 439.564 1.269 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164719391 720262208 /nfs/dbraw/zinc/26/22/08/720262208.db2.gz LWHLSGVZOMCTOP-QHCPKHFHSA-N 1 2 439.564 1.269 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164717516 720265179 /nfs/dbraw/zinc/26/51/79/720265179.db2.gz ACJJORWKAQCKBY-GOSISDBHSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3cccc(Cl)n3)C2)C1 ZINC001164717516 720265192 /nfs/dbraw/zinc/26/51/92/720265192.db2.gz ACJJORWKAQCKBY-GOSISDBHSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164719377 720265429 /nfs/dbraw/zinc/26/54/29/720265429.db2.gz LPWQSPKVDXPTGC-SFHVURJKSA-N 1 2 431.915 1.957 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164719377 720265442 /nfs/dbraw/zinc/26/54/42/720265442.db2.gz LPWQSPKVDXPTGC-SFHVURJKSA-N 1 2 431.915 1.957 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)c(C(=O)OC)c3OC)C2)C1 ZINC001164720952 720279198 /nfs/dbraw/zinc/27/91/98/720279198.db2.gz FZOQJVOXUJGROH-FQEVSTJZSA-N 1 2 440.928 1.195 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)c(C(=O)OC)c3OC)C2)C1 ZINC001164720952 720279214 /nfs/dbraw/zinc/27/92/14/720279214.db2.gz FZOQJVOXUJGROH-FQEVSTJZSA-N 1 2 440.928 1.195 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164721574 720284812 /nfs/dbraw/zinc/28/48/12/720284812.db2.gz LGQVMIPAMRMXPY-DEOSSOPVSA-N 1 2 443.592 1.619 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164721574 720284822 /nfs/dbraw/zinc/28/48/22/720284822.db2.gz LGQVMIPAMRMXPY-DEOSSOPVSA-N 1 2 443.592 1.619 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164828542 720429333 /nfs/dbraw/zinc/42/93/33/720429333.db2.gz XBKANZVMSTUFGD-AWEZNQCLSA-N 1 2 431.928 1.797 20 0 IDADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164827238 720430521 /nfs/dbraw/zinc/43/05/21/720430521.db2.gz RZBWQBAHQRCFPF-GOSISDBHSA-N 1 2 429.521 1.444 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3nc[nH]c31)C2 ZINC001164824193 720430952 /nfs/dbraw/zinc/43/09/52/720430952.db2.gz JPYLCDQZZLUCBK-CYBMUJFWSA-N 1 2 432.916 1.192 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164821945 720435023 /nfs/dbraw/zinc/43/50/23/720435023.db2.gz BBLKPWDBJUYFIQ-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164825367 720436381 /nfs/dbraw/zinc/43/63/81/720436381.db2.gz RPCMEIXCVMUBMZ-AWEZNQCLSA-N 1 2 431.928 1.749 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164822413 720438493 /nfs/dbraw/zinc/43/84/93/720438493.db2.gz DVYHWBASLMHKLG-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccnc31)C2 ZINC001164822072 720439401 /nfs/dbraw/zinc/43/94/01/720439401.db2.gz CIOOOEKQTXORDD-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3cccnc31)C2 ZINC001164822805 720452806 /nfs/dbraw/zinc/45/28/06/720452806.db2.gz IDBCSNGECAQGKJ-HNNXBMFYSA-N 1 2 443.939 1.864 20 0 IDADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164830236 720456619 /nfs/dbraw/zinc/45/66/19/720456619.db2.gz JTBMXMRGDISVPE-GOSISDBHSA-N 1 2 438.532 1.825 20 0 IDADLO COc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC001164828876 720458588 /nfs/dbraw/zinc/45/85/88/720458588.db2.gz BPNYGARQMSLAST-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO COC(OC)c1cc(C)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832235 720465332 /nfs/dbraw/zinc/46/53/32/720465332.db2.gz RPZPPTVSEVVFAZ-GOSISDBHSA-N 1 2 445.564 1.868 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(F)nc(F)nc1Cl)C2 ZINC001164831736 720468882 /nfs/dbraw/zinc/46/88/82/720468882.db2.gz PDAXZQZMBOPYFU-LBPRGKRZSA-N 1 2 428.871 1.594 20 0 IDADLO CCCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830737 720471142 /nfs/dbraw/zinc/47/11/42/720471142.db2.gz LORPMGVKIDQAIB-SFHVURJKSA-N 1 2 442.564 1.408 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164833479 720480030 /nfs/dbraw/zinc/48/00/30/720480030.db2.gz OXMUVYZGTQIPBW-KUHUBIRLSA-N 1 2 440.907 1.444 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3nccs3)n1)C2 ZINC001164831497 720482676 /nfs/dbraw/zinc/48/26/76/720482676.db2.gz GTIQEOMQCHQSAA-INIZCTEOSA-N 1 2 441.561 1.786 20 0 IDADLO CCN(CC)S(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010025 721714393 /nfs/dbraw/zinc/71/43/93/721714393.db2.gz XSOJCEUAXLOUCO-UHFFFAOYSA-N 1 2 435.598 1.954 20 0 IDADLO CCN(CC)S(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010025 721714403 /nfs/dbraw/zinc/71/44/03/721714403.db2.gz XSOJCEUAXLOUCO-UHFFFAOYSA-N 1 2 435.598 1.954 20 0 IDADLO CCOC(=O)[C@H]1CCc2nnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165012004 721722463 /nfs/dbraw/zinc/72/24/63/721722463.db2.gz YDRZXTHQRHIATC-INIZCTEOSA-N 1 2 427.553 1.987 20 0 IDADLO CCOC(=O)[C@H]1CCc2nnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165012004 721722464 /nfs/dbraw/zinc/72/24/64/721722464.db2.gz YDRZXTHQRHIATC-INIZCTEOSA-N 1 2 427.553 1.987 20 0 IDADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCCC1 ZINC001164913326 721767238 /nfs/dbraw/zinc/76/72/38/721767238.db2.gz WVDBKPLAIGIQQA-DEOSSOPVSA-N 1 2 437.544 1.820 20 0 IDADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCCC1 ZINC001164913326 721767240 /nfs/dbraw/zinc/76/72/40/721767240.db2.gz WVDBKPLAIGIQQA-DEOSSOPVSA-N 1 2 437.544 1.820 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913019 721769205 /nfs/dbraw/zinc/76/92/05/721769205.db2.gz TUAOWBXZBXEJHD-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913019 721769214 /nfs/dbraw/zinc/76/92/14/721769214.db2.gz TUAOWBXZBXEJHD-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO CCOC(=O)Cc1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913001 721772433 /nfs/dbraw/zinc/77/24/33/721772433.db2.gz SUYWQFJIYHRPDV-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913001 721772437 /nfs/dbraw/zinc/77/24/37/721772437.db2.gz SUYWQFJIYHRPDV-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO COC(=O)c1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164910145 721772897 /nfs/dbraw/zinc/77/28/97/721772897.db2.gz AAZOJWKFDRKZSF-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164910145 721772898 /nfs/dbraw/zinc/77/28/98/721772898.db2.gz AAZOJWKFDRKZSF-DEOSSOPVSA-N 1 2 449.511 1.919 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917769 721783525 /nfs/dbraw/zinc/78/35/25/721783525.db2.gz ZALNTZJXZAZEJH-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917769 721783529 /nfs/dbraw/zinc/78/35/29/721783529.db2.gz ZALNTZJXZAZEJH-QHCPKHFHSA-N 1 2 426.517 1.690 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914133 721787549 /nfs/dbraw/zinc/78/75/49/721787549.db2.gz BZBGTDGBUXUWKC-OAQYLSRUSA-N 1 2 429.908 1.481 20 0 IDADLO O=C1NCc2c1cc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914133 721787553 /nfs/dbraw/zinc/78/75/53/721787553.db2.gz BZBGTDGBUXUWKC-OAQYLSRUSA-N 1 2 429.908 1.481 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916431 721787614 /nfs/dbraw/zinc/78/76/14/721787614.db2.gz QXXYUMSAVBBTIJ-QFIPXVFZSA-N 1 2 427.553 1.564 20 0 IDADLO CC(C)c1nc(N(C)C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916431 721787618 /nfs/dbraw/zinc/78/76/18/721787618.db2.gz QXXYUMSAVBBTIJ-QFIPXVFZSA-N 1 2 427.553 1.564 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914062 721790844 /nfs/dbraw/zinc/79/08/44/721790844.db2.gz AOFILNPTFWHYEP-HSZRJFAPSA-N 1 2 444.532 1.368 20 0 IDADLO COC(OC)c1c(CO)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914062 721790847 /nfs/dbraw/zinc/79/08/47/721790847.db2.gz AOFILNPTFWHYEP-HSZRJFAPSA-N 1 2 444.532 1.368 20 0 IDADLO CON(C)C(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914028 721797620 /nfs/dbraw/zinc/79/76/20/721797620.db2.gz KFQODTIBDMNTQH-JOCHJYFZSA-N 1 2 427.505 1.218 20 0 IDADLO CON(C)C(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914028 721797621 /nfs/dbraw/zinc/79/76/21/721797621.db2.gz KFQODTIBDMNTQH-JOCHJYFZSA-N 1 2 427.505 1.218 20 0 IDADLO CCOC(=O)c1cnc(CC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915729 721798420 /nfs/dbraw/zinc/79/84/20/721798420.db2.gz YZKVKYGQPKRXQW-QHCPKHFHSA-N 1 2 441.532 1.719 20 0 IDADLO CCOC(=O)c1cnc(CC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915729 721798422 /nfs/dbraw/zinc/79/84/22/721798422.db2.gz YZKVKYGQPKRXQW-QHCPKHFHSA-N 1 2 441.532 1.719 20 0 IDADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@@H]4C3)c12 ZINC001164941233 721939545 /nfs/dbraw/zinc/93/95/45/721939545.db2.gz GSWAUWBGPHLGAJ-IAGOWNOFSA-N 1 2 426.477 1.829 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947715 721976916 /nfs/dbraw/zinc/97/69/16/721976916.db2.gz RCEMJZMARDEKSN-UHFFFAOYSA-N 1 2 437.544 1.994 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947715 721976917 /nfs/dbraw/zinc/97/69/17/721976917.db2.gz RCEMJZMARDEKSN-UHFFFAOYSA-N 1 2 437.544 1.994 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164950055 721980952 /nfs/dbraw/zinc/98/09/52/721980952.db2.gz SGMXVABRQRFRPQ-UHFFFAOYSA-N 1 2 438.528 1.856 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164950055 721980955 /nfs/dbraw/zinc/98/09/55/721980955.db2.gz SGMXVABRQRFRPQ-UHFFFAOYSA-N 1 2 438.528 1.856 20 0 IDADLO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]2C1 ZINC001164950051 721982815 /nfs/dbraw/zinc/98/28/15/721982815.db2.gz SFYOOIZHRPMSQW-WIYYLYMNSA-N 1 2 427.574 1.895 20 0 IDADLO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]2C1 ZINC001164950051 721982817 /nfs/dbraw/zinc/98/28/17/721982817.db2.gz SFYOOIZHRPMSQW-WIYYLYMNSA-N 1 2 427.574 1.895 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CSCC4)CC2)C1=O ZINC001164636913 719269453 /nfs/dbraw/zinc/26/94/53/719269453.db2.gz YSWDRVMEIFHASU-UHFFFAOYSA-N 1 2 425.986 1.679 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CSCC4)CC2)C1=O ZINC001164636913 719269457 /nfs/dbraw/zinc/26/94/57/719269457.db2.gz YSWDRVMEIFHASU-UHFFFAOYSA-N 1 2 425.986 1.679 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC2)C1=O ZINC001164638237 719276358 /nfs/dbraw/zinc/27/63/58/719276358.db2.gz DXYYAUHIJKIVLP-UHFFFAOYSA-N 1 2 439.564 1.364 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC2)C1=O ZINC001164638237 719276359 /nfs/dbraw/zinc/27/63/59/719276359.db2.gz DXYYAUHIJKIVLP-UHFFFAOYSA-N 1 2 439.564 1.364 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(OCc4ccccc4)cnn3)CC2)C1=O ZINC001164641051 719276380 /nfs/dbraw/zinc/27/63/80/719276380.db2.gz RURIRSDFXHOWAR-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(OCc4ccccc4)cnn3)CC2)C1=O ZINC001164641051 719276382 /nfs/dbraw/zinc/27/63/82/719276382.db2.gz RURIRSDFXHOWAR-UHFFFAOYSA-N 1 2 425.533 1.815 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)C1=O ZINC001164638062 719279516 /nfs/dbraw/zinc/27/95/16/719279516.db2.gz CKYPFNJZLRINEH-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)C1=O ZINC001164638062 719279520 /nfs/dbraw/zinc/27/95/20/719279520.db2.gz CKYPFNJZLRINEH-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C1=O ZINC001164644845 719280441 /nfs/dbraw/zinc/28/04/41/719280441.db2.gz UGCDOFGVCBIXJJ-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C1=O ZINC001164644845 719280445 /nfs/dbraw/zinc/28/04/45/719280445.db2.gz UGCDOFGVCBIXJJ-UHFFFAOYSA-N 1 2 425.533 1.912 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(-c4ccncc4)n3)CC2)C1=O ZINC001164644738 719284322 /nfs/dbraw/zinc/28/43/22/719284322.db2.gz SXDRBDQXYRFJBN-UHFFFAOYSA-N 1 2 430.940 1.951 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(-c4ccncc4)n3)CC2)C1=O ZINC001164644738 719284324 /nfs/dbraw/zinc/28/43/24/719284324.db2.gz SXDRBDQXYRFJBN-UHFFFAOYSA-N 1 2 430.940 1.951 20 0 IDADLO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703865 719839371 /nfs/dbraw/zinc/83/93/71/719839371.db2.gz QULVJDHEVXGMFN-VLIAUNLRSA-N 1 2 438.550 1.608 20 0 IDADLO COC(=O)c1ccc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2c1 ZINC001164703901 719843316 /nfs/dbraw/zinc/84/33/16/719843316.db2.gz RDBRUYBTVAXEEB-VGOFRKELSA-N 1 2 428.489 1.649 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699383 719849391 /nfs/dbraw/zinc/84/93/91/719849391.db2.gz HZZXYDMUFYLDQO-BFUOFWGJSA-N 1 2 426.901 1.078 20 0 IDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705116 719855328 /nfs/dbraw/zinc/85/53/28/719855328.db2.gz SWMOFJNSCSVUJI-XOBRGWDASA-N 1 2 440.928 1.468 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(-c2ccccc2)n1 ZINC001164705141 719859513 /nfs/dbraw/zinc/85/95/13/719859513.db2.gz TXEXFJDUIGRFDY-HTAPYJJXSA-N 1 2 427.505 1.780 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CO)ccc1NC(=O)C(C)(C)C ZINC001164698471 719863042 /nfs/dbraw/zinc/86/30/42/719863042.db2.gz CMNPKEZXFYEDCU-GAJHUEQPSA-N 1 2 448.564 1.791 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164706800 719868302 /nfs/dbraw/zinc/86/83/02/719868302.db2.gz QMENMGQJIWPCPQ-GUYCJALGSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001164705744 719870164 /nfs/dbraw/zinc/87/01/64/719870164.db2.gz OJMFYOMNASCKIB-XXBNENTESA-N 1 2 426.517 1.524 20 0 IDADLO CCc1c(Cl)nnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1CC ZINC001164709350 719910118 /nfs/dbraw/zinc/91/01/18/719910118.db2.gz UCVOLOMDVNZXAY-UHFFFAOYSA-N 1 2 431.972 1.939 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164708918 719911647 /nfs/dbraw/zinc/91/16/47/719911647.db2.gz NGCKKKXAQKGPTH-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO COc1nc(-c2ccccc2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708389 719912685 /nfs/dbraw/zinc/91/26/85/719912685.db2.gz BZUQLIRPKFSZOB-UHFFFAOYSA-N 1 2 448.531 1.231 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164708577 719920532 /nfs/dbraw/zinc/92/05/32/719920532.db2.gz LPUWTTZZTHXMGY-UHFFFAOYSA-N 1 2 436.564 1.939 20 0 IDADLO COc1ccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)cc1 ZINC001164708631 719921575 /nfs/dbraw/zinc/92/15/75/719921575.db2.gz NSBPMHHKUVXLSP-UHFFFAOYSA-N 1 2 447.543 1.836 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164708618 719931706 /nfs/dbraw/zinc/93/17/06/719931706.db2.gz NIELJIOLZOODLY-UHFFFAOYSA-N 1 2 438.580 1.541 20 0 IDADLO CCOC(=O)c1cnc(Cl)cc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702956 719931740 /nfs/dbraw/zinc/93/17/40/719931740.db2.gz ICNSCXXMANJDDD-UHFFFAOYSA-N 1 2 446.939 1.596 20 0 IDADLO CCCSc1ncnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1OC ZINC001164710295 719936702 /nfs/dbraw/zinc/93/67/02/719936702.db2.gz DVOYVZRUEANGSU-UHFFFAOYSA-N 1 2 445.593 1.671 20 0 IDADLO Cc1nc(Cl)cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164702568 719939340 /nfs/dbraw/zinc/93/93/40/719939340.db2.gz HDLIYQWWQGPONG-UHFFFAOYSA-N 1 2 439.898 1.667 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164716703 720215368 /nfs/dbraw/zinc/21/53/68/720215368.db2.gz CZIPOQNBCKOZET-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164716703 720215373 /nfs/dbraw/zinc/21/53/73/720215373.db2.gz CZIPOQNBCKOZET-INIZCTEOSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164717259 720215945 /nfs/dbraw/zinc/21/59/45/720215945.db2.gz HKTZJAHHRKUIMQ-SFHVURJKSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164717259 720215948 /nfs/dbraw/zinc/21/59/48/720215948.db2.gz HKTZJAHHRKUIMQ-SFHVURJKSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(OC)c3)C2)C1 ZINC001164719312 720218477 /nfs/dbraw/zinc/21/84/77/720218477.db2.gz RBRPFVOTKVAKGX-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(OC)c3)C2)C1 ZINC001164719312 720218488 /nfs/dbraw/zinc/21/84/88/720218488.db2.gz RBRPFVOTKVAKGX-GOSISDBHSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164719736 720244017 /nfs/dbraw/zinc/24/40/17/720244017.db2.gz OMBLLLJBECCKTQ-GOSISDBHSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccnc(Cl)c3)C2)C1 ZINC001164719736 720244022 /nfs/dbraw/zinc/24/40/22/720244022.db2.gz OMBLLLJBECCKTQ-GOSISDBHSA-N 1 2 432.899 1.867 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(OC)nc3Cl)C2)C1 ZINC001164718326 720246039 /nfs/dbraw/zinc/24/60/39/720246039.db2.gz DOAXPAGYAQQTCA-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(OC)nc3Cl)C2)C1 ZINC001164718326 720246042 /nfs/dbraw/zinc/24/60/42/720246042.db2.gz DOAXPAGYAQQTCA-SFHVURJKSA-N 1 2 432.899 1.953 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719420 720248088 /nfs/dbraw/zinc/24/80/88/720248088.db2.gz MZQAOGSNKQUGLP-JOCHJYFZSA-N 1 2 431.537 1.196 20 0 IDADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719420 720248105 /nfs/dbraw/zinc/24/81/05/720248105.db2.gz MZQAOGSNKQUGLP-JOCHJYFZSA-N 1 2 431.537 1.196 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)Nc3cc(C)on3)C2)C1 ZINC001164722280 720283513 /nfs/dbraw/zinc/28/35/13/720283513.db2.gz PGSXTJXARCJELU-QFIPXVFZSA-N 1 2 442.520 1.295 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)Nc3cc(C)on3)C2)C1 ZINC001164722280 720283514 /nfs/dbraw/zinc/28/35/14/720283514.db2.gz PGSXTJXARCJELU-QFIPXVFZSA-N 1 2 442.520 1.295 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4ncn5C)CC3)C2=O)cs1 ZINC001164826752 720361049 /nfs/dbraw/zinc/36/10/49/720361049.db2.gz YRAXLJMVEUSLJF-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4ncn5C)CC3)C2=O)cs1 ZINC001164826752 720361055 /nfs/dbraw/zinc/36/10/55/720361055.db2.gz YRAXLJMVEUSLJF-UHFFFAOYSA-N 1 2 426.550 1.441 20 0 IDADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825654 720362852 /nfs/dbraw/zinc/36/28/52/720362852.db2.gz SLNMSLDYLPXTMC-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825654 720362859 /nfs/dbraw/zinc/36/28/59/720362859.db2.gz SLNMSLDYLPXTMC-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164823315 720366457 /nfs/dbraw/zinc/36/64/57/720366457.db2.gz DPTBLNBJURCZLT-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164823315 720366463 /nfs/dbraw/zinc/36/64/63/720366463.db2.gz DPTBLNBJURCZLT-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4[C@H](C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821163 720373415 /nfs/dbraw/zinc/37/34/15/720373415.db2.gz YLXWHTXKSDINFV-ZDUSSCGKSA-N 1 2 441.561 1.610 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4[C@H](C)C(=O)N5)CC3)C2=O)cs1 ZINC001164821163 720373424 /nfs/dbraw/zinc/37/34/24/720373424.db2.gz YLXWHTXKSDINFV-ZDUSSCGKSA-N 1 2 441.561 1.610 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164823687 720428725 /nfs/dbraw/zinc/42/87/25/720428725.db2.gz JAGNNCZJGAZFMS-IBGZPJMESA-N 1 2 441.580 1.653 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164828543 720428915 /nfs/dbraw/zinc/42/89/15/720428915.db2.gz XBKANZVMSTUFGD-CQSZACIVSA-N 1 2 431.928 1.797 20 0 IDADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164822036 720428983 /nfs/dbraw/zinc/42/89/83/720428983.db2.gz APGKOVORPVXUGC-GOSISDBHSA-N 1 2 443.548 1.753 20 0 IDADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164827240 720430203 /nfs/dbraw/zinc/43/02/03/720430203.db2.gz RZBWQBAHQRCFPF-SFHVURJKSA-N 1 2 429.521 1.444 20 0 IDADLO COC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164821880 720433579 /nfs/dbraw/zinc/43/35/79/720433579.db2.gz ABHAFIHJYXQWEB-MRXNPFEDSA-N 1 2 449.939 1.708 20 0 IDADLO COC(=O)c1ccc(C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822753 720434870 /nfs/dbraw/zinc/43/48/70/720434870.db2.gz HNYLQHADYXUWRF-QGZVFWFLSA-N 1 2 429.521 1.363 20 0 IDADLO CCOC(=O)Cc1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824523 720436546 /nfs/dbraw/zinc/43/65/46/720436546.db2.gz NOFDPMHVZZQVJY-IBGZPJMESA-N 1 2 443.548 1.373 20 0 IDADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1OC ZINC001164826288 720437171 /nfs/dbraw/zinc/43/71/71/720437171.db2.gz VMEKLOQQRWJORI-MRXNPFEDSA-N 1 2 445.520 1.063 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cnc(F)cc31)C2 ZINC001164821911 720442540 /nfs/dbraw/zinc/44/25/40/720442540.db2.gz AQVVSIVUMXSKBB-HNNXBMFYSA-N 1 2 427.484 1.350 20 0 IDADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164824098 720446997 /nfs/dbraw/zinc/44/69/97/720446997.db2.gz LTJXOXVKXPTXOU-QGZVFWFLSA-N 1 2 429.521 1.363 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164822018 720448101 /nfs/dbraw/zinc/44/81/01/720448101.db2.gz BTDWEOZFYGNUPV-CQSZACIVSA-N 1 2 431.928 1.797 20 0 IDADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164826321 720448685 /nfs/dbraw/zinc/44/86/85/720448685.db2.gz VSWWZXZPSHCSFP-KRWDZBQOSA-N 1 2 444.536 1.148 20 0 IDADLO COCc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164826981 720450448 /nfs/dbraw/zinc/45/04/48/720450448.db2.gz XOJHXEDJRSRNOC-INIZCTEOSA-N 1 2 448.593 1.531 20 0 IDADLO C=C(OCC)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822392 720452460 /nfs/dbraw/zinc/45/24/60/720452460.db2.gz DKSKOEGRMZKZED-SFHVURJKSA-N 1 2 428.537 1.670 20 0 IDADLO COc1ccc2c(c1)ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822432 720452500 /nfs/dbraw/zinc/45/25/00/720452500.db2.gz FASQCOAXIRIKDS-QGZVFWFLSA-N 1 2 438.532 1.825 20 0 IDADLO CCOC(=O)Cc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164822727 720453291 /nfs/dbraw/zinc/45/32/91/720453291.db2.gz HEEISLIOVBVYIN-IBGZPJMESA-N 1 2 443.548 1.373 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CC3)cn1)C2 ZINC001164831787 720455822 /nfs/dbraw/zinc/45/58/22/720455822.db2.gz QICWFZADODWQOB-GOSISDBHSA-N 1 2 440.548 1.160 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164832691 720466307 /nfs/dbraw/zinc/46/63/07/720466307.db2.gz VTZREWKLJALXTL-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO CCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832318 720469526 /nfs/dbraw/zinc/46/95/26/720469526.db2.gz UDGMLCOHFQAXEA-SFHVURJKSA-N 1 2 428.537 1.017 20 0 IDADLO CCn1cnc2c1ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829824 720471358 /nfs/dbraw/zinc/47/13/58/720471358.db2.gz HDIYLPNSIMVKSP-MRXNPFEDSA-N 1 2 426.525 1.032 20 0 IDADLO Cc1noc(-c2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2)n1 ZINC001164832752 720472126 /nfs/dbraw/zinc/47/21/26/720472126.db2.gz WUMYPXIZZXYIOF-SFHVURJKSA-N 1 2 439.520 1.626 20 0 IDADLO CC(C)OC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831460 720480120 /nfs/dbraw/zinc/48/01/20/720480120.db2.gz GCLPFTUQZVVAFF-SFHVURJKSA-N 1 2 443.548 1.833 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164834812 720484101 /nfs/dbraw/zinc/48/41/01/720484101.db2.gz VHHJHSXCVUKFED-LIRRHRJNSA-N 1 2 440.907 1.444 20 0 IDADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008540 721711352 /nfs/dbraw/zinc/71/13/52/721711352.db2.gz GPRRCMCTTIQGEO-UHFFFAOYSA-N 1 2 426.525 1.987 20 0 IDADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008540 721711363 /nfs/dbraw/zinc/71/13/63/721711363.db2.gz GPRRCMCTTIQGEO-UHFFFAOYSA-N 1 2 426.525 1.987 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001165015350 721766210 /nfs/dbraw/zinc/76/62/10/721766210.db2.gz OUDHAAVSSINAGZ-GOSISDBHSA-N 1 2 434.863 1.180 20 0 IDADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1NC(C)C ZINC001164910495 721766403 /nfs/dbraw/zinc/76/64/03/721766403.db2.gz GYOJRCBSEFYZQU-QFIPXVFZSA-N 1 2 428.537 1.808 20 0 IDADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1NC(C)C ZINC001164910495 721766404 /nfs/dbraw/zinc/76/64/04/721766404.db2.gz GYOJRCBSEFYZQU-QFIPXVFZSA-N 1 2 428.537 1.808 20 0 IDADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1NC(C)C ZINC001164910494 721766682 /nfs/dbraw/zinc/76/66/82/721766682.db2.gz GYOJRCBSEFYZQU-JOCHJYFZSA-N 1 2 428.537 1.808 20 0 IDADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1NC(C)C ZINC001164910494 721766689 /nfs/dbraw/zinc/76/66/89/721766689.db2.gz GYOJRCBSEFYZQU-JOCHJYFZSA-N 1 2 428.537 1.808 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912078 721769344 /nfs/dbraw/zinc/76/93/44/721769344.db2.gz KAMAFHFNVHUDFP-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912078 721769345 /nfs/dbraw/zinc/76/93/45/721769345.db2.gz KAMAFHFNVHUDFP-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO CC(C)OC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910854 721774493 /nfs/dbraw/zinc/77/44/93/721774493.db2.gz CMIBLJDMAFBSLE-JOCHJYFZSA-N 1 2 427.505 1.545 20 0 IDADLO CC(C)OC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910854 721774495 /nfs/dbraw/zinc/77/44/95/721774495.db2.gz CMIBLJDMAFBSLE-JOCHJYFZSA-N 1 2 427.505 1.545 20 0 IDADLO COC(=O)c1cc(F)c(C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914582 721783255 /nfs/dbraw/zinc/78/32/55/721783255.db2.gz FCXBNGAKFFYWJM-QFIPXVFZSA-N 1 2 430.480 1.819 20 0 IDADLO COC(=O)c1cc(F)c(C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914582 721783256 /nfs/dbraw/zinc/78/32/56/721783256.db2.gz FCXBNGAKFFYWJM-QFIPXVFZSA-N 1 2 430.480 1.819 20 0 IDADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916004 721786940 /nfs/dbraw/zinc/78/69/40/721786940.db2.gz NGYNZKWLXAJCRZ-HSZRJFAPSA-N 1 2 441.532 1.935 20 0 IDADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916004 721786944 /nfs/dbraw/zinc/78/69/44/721786944.db2.gz NGYNZKWLXAJCRZ-HSZRJFAPSA-N 1 2 441.532 1.935 20 0 IDADLO S=c1nc2[nH]cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c-2s1 ZINC001164914933 721792302 /nfs/dbraw/zinc/79/23/02/721792302.db2.gz IJKSJQUZDGWSRN-LJQANCHMSA-N 1 2 430.559 1.878 20 0 IDADLO S=c1nc2[nH]cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c-2s1 ZINC001164914933 721792303 /nfs/dbraw/zinc/79/23/03/721792303.db2.gz IJKSJQUZDGWSRN-LJQANCHMSA-N 1 2 430.559 1.878 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914024 721796288 /nfs/dbraw/zinc/79/62/88/721796288.db2.gz KCBOWYKGTMOCED-HSZRJFAPSA-N 1 2 434.500 1.130 20 0 IDADLO O=c1ccccn1-c1nccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914024 721796290 /nfs/dbraw/zinc/79/62/90/721796290.db2.gz KCBOWYKGTMOCED-HSZRJFAPSA-N 1 2 434.500 1.130 20 0 IDADLO COC(=O)CSc1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914354 721796778 /nfs/dbraw/zinc/79/67/78/721796778.db2.gz MCNSCIZWVOWXBB-NRFANRHFSA-N 1 2 445.545 1.245 20 0 IDADLO COC(=O)CSc1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914354 721796780 /nfs/dbraw/zinc/79/67/80/721796780.db2.gz MCNSCIZWVOWXBB-NRFANRHFSA-N 1 2 445.545 1.245 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914656 721800102 /nfs/dbraw/zinc/80/01/02/721800102.db2.gz PAVZOBQNYNHRHV-HSZRJFAPSA-N 1 2 442.516 1.388 20 0 IDADLO COCCOC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914656 721800103 /nfs/dbraw/zinc/80/01/03/721800103.db2.gz PAVZOBQNYNHRHV-HSZRJFAPSA-N 1 2 442.516 1.388 20 0 IDADLO O=C1CSc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2N1 ZINC001164915737 721800940 /nfs/dbraw/zinc/80/09/40/721800940.db2.gz ZCEWHGRAETVACE-HXUWFJFHSA-N 1 2 428.518 1.024 20 0 IDADLO O=C1CSc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2N1 ZINC001164915737 721800941 /nfs/dbraw/zinc/80/09/41/721800941.db2.gz ZCEWHGRAETVACE-HXUWFJFHSA-N 1 2 428.518 1.024 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164945130 721977355 /nfs/dbraw/zinc/97/73/55/721977355.db2.gz DGJSSQPGGPCNRB-UHFFFAOYSA-N 1 2 442.951 1.930 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164945130 721977358 /nfs/dbraw/zinc/97/73/58/721977358.db2.gz DGJSSQPGGPCNRB-UHFFFAOYSA-N 1 2 442.951 1.930 20 0 IDADLO CS(=O)(=O)N1C[C@@H]2CCCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)[C@@H]2C1 ZINC001164950039 721982649 /nfs/dbraw/zinc/98/26/49/721982649.db2.gz SFYOOIZHRPMSQW-GHTZIAJQSA-N 1 2 427.574 1.895 20 0 IDADLO CS(=O)(=O)N1C[C@@H]2CCCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)[C@@H]2C1 ZINC001164950039 721982653 /nfs/dbraw/zinc/98/26/53/721982653.db2.gz SFYOOIZHRPMSQW-GHTZIAJQSA-N 1 2 427.574 1.895 20 0 IDADLO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164950046 721982895 /nfs/dbraw/zinc/98/28/95/721982895.db2.gz SFYOOIZHRPMSQW-RXVVDRJESA-N 1 2 427.574 1.895 20 0 IDADLO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164950046 721982898 /nfs/dbraw/zinc/98/28/98/721982898.db2.gz SFYOOIZHRPMSQW-RXVVDRJESA-N 1 2 427.574 1.895 20 0 IDADLO COc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(S(C)(=O)=O)n1 ZINC001164962179 722056025 /nfs/dbraw/zinc/05/60/25/722056025.db2.gz ATNIZUBAPXVFSQ-UHFFFAOYSA-N 1 2 447.561 1.403 20 0 IDADLO COc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(S(C)(=O)=O)n1 ZINC001164962179 722056026 /nfs/dbraw/zinc/05/60/26/722056026.db2.gz ATNIZUBAPXVFSQ-UHFFFAOYSA-N 1 2 447.561 1.403 20 0 IDADLO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981078 722118925 /nfs/dbraw/zinc/11/89/25/722118925.db2.gz SKCIOZFZLATVSC-DLBZAZTESA-N 1 2 433.534 1.011 20 0 IDADLO COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164981078 722118928 /nfs/dbraw/zinc/11/89/28/722118928.db2.gz SKCIOZFZLATVSC-DLBZAZTESA-N 1 2 433.534 1.011 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164977917 722156383 /nfs/dbraw/zinc/15/63/83/722156383.db2.gz ZHCWGMJWMRKRAX-RDJZCZTQSA-N 1 2 449.964 1.582 20 0 IDADLO O=S1(=O)CCc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164977917 722156384 /nfs/dbraw/zinc/15/63/84/722156384.db2.gz ZHCWGMJWMRKRAX-RDJZCZTQSA-N 1 2 449.964 1.582 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)NC3CCCCC3)CC2)C1=O ZINC001164633039 719269149 /nfs/dbraw/zinc/26/91/49/719269149.db2.gz FQNYBJYGMQVZOT-UHFFFAOYSA-N 1 2 443.592 1.904 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)NC3CCCCC3)CC2)C1=O ZINC001164633039 719269155 /nfs/dbraw/zinc/26/91/55/719269155.db2.gz FQNYBJYGMQVZOT-UHFFFAOYSA-N 1 2 443.592 1.904 20 0 IDADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164641108 719275762 /nfs/dbraw/zinc/27/57/62/719275762.db2.gz RZUSJDFGQOVVJB-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164641108 719275764 /nfs/dbraw/zinc/27/57/64/719275764.db2.gz RZUSJDFGQOVVJB-UHFFFAOYSA-N 1 2 438.956 1.980 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC3)CC2)C1=O ZINC001164638270 719279968 /nfs/dbraw/zinc/27/99/68/719279968.db2.gz FJBVSCXWAYJNQY-UHFFFAOYSA-N 1 2 438.576 1.989 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC3)CC2)C1=O ZINC001164638270 719279971 /nfs/dbraw/zinc/27/99/71/719279971.db2.gz FJBVSCXWAYJNQY-UHFFFAOYSA-N 1 2 438.576 1.989 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(Cn4ccccc4=O)cn3)CC2)C1=O ZINC001164644277 719281597 /nfs/dbraw/zinc/28/15/97/719281597.db2.gz GQJZSNIODOMASS-UHFFFAOYSA-N 1 2 425.533 1.051 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(Cn4ccccc4=O)cn3)CC2)C1=O ZINC001164644277 719281601 /nfs/dbraw/zinc/28/16/01/719281601.db2.gz GQJZSNIODOMASS-UHFFFAOYSA-N 1 2 425.533 1.051 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)C1=O ZINC001164644066 719283178 /nfs/dbraw/zinc/28/31/78/719283178.db2.gz AZGOCKPVEKOUBV-UHFFFAOYSA-N 1 2 430.578 1.976 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)C1=O ZINC001164644066 719283181 /nfs/dbraw/zinc/28/31/81/719283181.db2.gz AZGOCKPVEKOUBV-UHFFFAOYSA-N 1 2 430.578 1.976 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)CC2)C1=O ZINC001164644260 719285025 /nfs/dbraw/zinc/28/50/25/719285025.db2.gz FXQFSRPYERWADS-OAHLLOKOSA-N 1 2 439.944 1.057 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)CC2)C1=O ZINC001164644260 719285029 /nfs/dbraw/zinc/28/50/29/719285029.db2.gz FXQFSRPYERWADS-OAHLLOKOSA-N 1 2 439.944 1.057 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCn5c(CN6CCOCC6)nnc5C4)c3C2)cc1 ZINC001164676779 719571184 /nfs/dbraw/zinc/57/11/84/719571184.db2.gz OBGSXJZYPRHQQR-UHFFFAOYSA-N 1 2 446.559 1.479 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCn5c(CN6CCOCC6)nnc5C4)c3C2)cc1 ZINC001164676779 719571197 /nfs/dbraw/zinc/57/11/97/719571197.db2.gz OBGSXJZYPRHQQR-UHFFFAOYSA-N 1 2 446.559 1.479 20 0 IDADLO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c12 ZINC001164699992 719845728 /nfs/dbraw/zinc/84/57/28/719845728.db2.gz JJRLFSZGAKYJLU-LHSJRXKWSA-N 1 2 431.493 1.367 20 0 IDADLO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c12 ZINC001164699994 719845923 /nfs/dbraw/zinc/84/59/23/719845923.db2.gz JJRLFSZGAKYJLU-QKKBWIMNSA-N 1 2 431.493 1.367 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cc(OC)c(OC)cc2n1 ZINC001164704609 719852189 /nfs/dbraw/zinc/85/21/89/719852189.db2.gz RVHVXRMHBJVBKD-NYHFZMIOSA-N 1 2 430.505 1.880 20 0 IDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705115 719855420 /nfs/dbraw/zinc/85/54/20/719855420.db2.gz SWMOFJNSCSVUJI-VLIAUNLRSA-N 1 2 440.928 1.468 20 0 IDADLO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705113 719855599 /nfs/dbraw/zinc/85/55/99/719855599.db2.gz SWMOFJNSCSVUJI-JLTOFOAXSA-N 1 2 440.928 1.468 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(N(C)C)n1 ZINC001164701549 719859567 /nfs/dbraw/zinc/85/95/67/719859567.db2.gz LBYIOFSVUKZMFM-FDDCHVKYSA-N 1 2 440.548 1.837 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164706803 719868219 /nfs/dbraw/zinc/86/82/19/719868219.db2.gz QMENMGQJIWPCPQ-SUMWQHHRSA-N 1 2 434.871 1.830 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCCC2)nn1 ZINC001164707603 719872834 /nfs/dbraw/zinc/87/28/34/719872834.db2.gz UFIAPMUBFKQHRB-HTAPYJJXSA-N 1 2 431.537 1.382 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCCC2)nn1 ZINC001164707605 719873038 /nfs/dbraw/zinc/87/30/38/719873038.db2.gz UFIAPMUBFKQHRB-VGOFRKELSA-N 1 2 431.537 1.382 20 0 IDADLO COC(=O)c1nc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)n1 ZINC001164704917 719879038 /nfs/dbraw/zinc/87/90/38/719879038.db2.gz XGNRHVXJLZHTKY-VOJFVSQTSA-N 1 2 447.319 1.803 20 0 IDADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)n1 ZINC001164704915 719879358 /nfs/dbraw/zinc/87/93/58/719879358.db2.gz XGNRHVXJLZHTKY-ADLMAVQZSA-N 1 2 447.319 1.803 20 0 IDADLO COC(=O)c1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1Cl ZINC001164708705 719908291 /nfs/dbraw/zinc/90/82/91/719908291.db2.gz IEXSXXJHHGVGME-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164708881 719910093 /nfs/dbraw/zinc/91/00/93/719910093.db2.gz LOSUPROOFQIFNR-UHFFFAOYSA-N 1 2 439.564 1.294 20 0 IDADLO CCOC(=O)/C=C/c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708395 719915660 /nfs/dbraw/zinc/91/56/60/719915660.db2.gz CGODLHAXJHZZKC-SOFGYWHQSA-N 1 2 438.532 1.342 20 0 IDADLO Cc1nc(C2CC2)nc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708314 719928011 /nfs/dbraw/zinc/92/80/11/719928011.db2.gz IQVCUAFIOYSLSF-UHFFFAOYSA-N 1 2 429.956 2.000 20 0 IDADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)c1 ZINC001164703496 719932067 /nfs/dbraw/zinc/93/20/67/719932067.db2.gz KCAYJHNEXLJOCE-UHFFFAOYSA-N 1 2 432.912 1.205 20 0 IDADLO COC(=O)c1ccc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2c1 ZINC001164703707 719937405 /nfs/dbraw/zinc/93/74/05/719937405.db2.gz LTILMFGATKVPSO-UHFFFAOYSA-N 1 2 449.515 1.100 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164703828 719939136 /nfs/dbraw/zinc/93/91/36/719939136.db2.gz NFWCKWGNCGNNDS-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164703222 720048369 /nfs/dbraw/zinc/04/83/69/720048369.db2.gz JJNKNUBFOLESOC-UHFFFAOYSA-N 1 2 433.969 1.561 20 0 IDADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C)c1 ZINC001164704234 720048669 /nfs/dbraw/zinc/04/86/69/720048669.db2.gz QKFRAPJVBWFHKR-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164710602 720048881 /nfs/dbraw/zinc/04/88/81/720048881.db2.gz FHWFSXCBXHSUJV-UHFFFAOYSA-N 1 2 440.882 1.202 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164711650 720049280 /nfs/dbraw/zinc/04/92/80/720049280.db2.gz IZPCWOIRFLWODZ-UHFFFAOYSA-N 1 2 441.870 1.239 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164718519 720217022 /nfs/dbraw/zinc/21/70/22/720217022.db2.gz MTKLOAPKBJMXKO-QHCPKHFHSA-N 1 2 429.565 1.373 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164718519 720217026 /nfs/dbraw/zinc/21/70/26/720217026.db2.gz MTKLOAPKBJMXKO-QHCPKHFHSA-N 1 2 429.565 1.373 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164716826 720218761 /nfs/dbraw/zinc/21/87/61/720218761.db2.gz FQVJTUVFNCJALV-XMMPIXPASA-N 1 2 443.592 1.809 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)NC3CCCCC3)C2)C1 ZINC001164716826 720218769 /nfs/dbraw/zinc/21/87/69/720218769.db2.gz FQVJTUVFNCJALV-XMMPIXPASA-N 1 2 443.592 1.809 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C2)C1 ZINC001164721458 720277828 /nfs/dbraw/zinc/27/78/28/720277828.db2.gz JTKPWADUFQOUNK-SFHVURJKSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C2)C1 ZINC001164721458 720277839 /nfs/dbraw/zinc/27/78/39/720277839.db2.gz JTKPWADUFQOUNK-SFHVURJKSA-N 1 2 445.898 1.044 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164721575 720285580 /nfs/dbraw/zinc/28/55/80/720285580.db2.gz LGQVMIPAMRMXPY-XMMPIXPASA-N 1 2 443.592 1.619 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCC(C)CC3)C2)C1 ZINC001164721575 720285585 /nfs/dbraw/zinc/28/55/85/720285585.db2.gz LGQVMIPAMRMXPY-XMMPIXPASA-N 1 2 443.592 1.619 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)C2)C1 ZINC001164722851 720308748 /nfs/dbraw/zinc/30/87/48/720308748.db2.gz MDEYASCOJUYRGH-VLIAUNLRSA-N 1 2 439.944 1.071 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)C2)C1 ZINC001164722851 720308756 /nfs/dbraw/zinc/30/87/56/720308756.db2.gz MDEYASCOJUYRGH-VLIAUNLRSA-N 1 2 439.944 1.071 20 0 IDADLO CCOC(=O)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824137 720367717 /nfs/dbraw/zinc/36/77/17/720367717.db2.gz JMUKZUZRKHYMIU-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCOC(=O)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824137 720367721 /nfs/dbraw/zinc/36/77/21/720367721.db2.gz JMUKZUZRKHYMIU-UHFFFAOYSA-N 1 2 444.561 1.731 20 0 IDADLO CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821153 720374924 /nfs/dbraw/zinc/37/49/24/720374924.db2.gz YDLMNTBXAULACA-UHFFFAOYSA-N 1 2 442.589 1.909 20 0 IDADLO CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821153 720374931 /nfs/dbraw/zinc/37/49/31/720374931.db2.gz YDLMNTBXAULACA-UHFFFAOYSA-N 1 2 442.589 1.909 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)cc4C(N)=O)CC3)C2=O)cs1 ZINC001164820032 720376237 /nfs/dbraw/zinc/37/62/37/720376237.db2.gz KLZHGWRLTOYINM-UHFFFAOYSA-N 1 2 432.525 1.398 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)cc4C(N)=O)CC3)C2=O)cs1 ZINC001164820032 720376240 /nfs/dbraw/zinc/37/62/40/720376240.db2.gz KLZHGWRLTOYINM-UHFFFAOYSA-N 1 2 432.525 1.398 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164829046 720428187 /nfs/dbraw/zinc/42/81/87/720428187.db2.gz ZLIDLRHWGFIMGP-CQSZACIVSA-N 1 2 431.928 1.797 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)cc(Cl)n1)C2 ZINC001164827523 720431972 /nfs/dbraw/zinc/43/19/72/720431972.db2.gz SOSMQLRDDKPDCD-OAHLLOKOSA-N 1 2 434.928 1.020 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(F)ccc31)C2 ZINC001164827285 720435309 /nfs/dbraw/zinc/43/53/09/720435309.db2.gz ZYPAHQUSYHIZIJ-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1F ZINC001164823388 720444281 /nfs/dbraw/zinc/44/42/81/720444281.db2.gz IVZRFSOSZAOJQV-OAHLLOKOSA-N 1 2 433.484 1.193 20 0 IDADLO CCOC(=O)c1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822441 720445091 /nfs/dbraw/zinc/44/50/91/720445091.db2.gz FDTDPTVWMQOFPT-KRWDZBQOSA-N 1 2 429.521 1.444 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164827104 720447489 /nfs/dbraw/zinc/44/74/89/720447489.db2.gz ZDGAKNFWRUFUCB-MRXNPFEDSA-N 1 2 441.532 1.673 20 0 IDADLO COCc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164826982 720450199 /nfs/dbraw/zinc/45/01/99/720450199.db2.gz XOJHXEDJRSRNOC-MRXNPFEDSA-N 1 2 448.593 1.531 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(OC(C)(C)C)n1)C2 ZINC001164825132 720454884 /nfs/dbraw/zinc/45/48/84/720454884.db2.gz QFWROYNIZBNLQP-QGZVFWFLSA-N 1 2 430.553 1.840 20 0 IDADLO CCOc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833097 720456222 /nfs/dbraw/zinc/45/62/22/720456222.db2.gz YNBBXJMSHNXYRM-OAHLLOKOSA-N 1 2 436.944 1.715 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CC3)cn1)C2 ZINC001164831788 720456249 /nfs/dbraw/zinc/45/62/49/720456249.db2.gz QICWFZADODWQOB-SFHVURJKSA-N 1 2 440.548 1.160 20 0 IDADLO CCOC(=O)c1ncnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164829925 720457721 /nfs/dbraw/zinc/45/77/21/720457721.db2.gz HZTIEPPDNVHHIQ-KRWDZBQOSA-N 1 2 444.536 1.148 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164829840 720458797 /nfs/dbraw/zinc/45/87/97/720458797.db2.gz HGILBRORHNRJEY-AWEZNQCLSA-N 1 2 431.928 1.797 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164829980 720464820 /nfs/dbraw/zinc/46/48/20/720464820.db2.gz IMAPHJOZUMAJQZ-AWEZNQCLSA-N 1 2 442.898 1.861 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3ncc(F)cc3n1)C2 ZINC001164828778 720467076 /nfs/dbraw/zinc/46/70/76/720467076.db2.gz ANNWYSGCAWOUNN-MRXNPFEDSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164830002 720472196 /nfs/dbraw/zinc/47/21/96/720472196.db2.gz IPWNVCONMLIHJI-SFHVURJKSA-N 1 2 435.532 1.725 20 0 IDADLO COc1cccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164833033 720472229 /nfs/dbraw/zinc/47/22/29/720472229.db2.gz WVVOSUGLEYAKRA-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO C[C@@H]1CCc2nnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc2C1 ZINC001164834105 720480213 /nfs/dbraw/zinc/48/02/13/720480213.db2.gz ROKXDTVSHZKCSE-MJGOQNOKSA-N 1 2 426.565 1.788 20 0 IDADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164860865 720896241 /nfs/dbraw/zinc/89/62/41/720896241.db2.gz VKVRLRSPNNWJOT-UHFFFAOYSA-N 1 2 449.849 1.591 20 0 IDADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6cnccn6)[C@H]5C4)c3C2)cc1 ZINC001164759447 721260449 /nfs/dbraw/zinc/26/04/49/721260449.db2.gz AKDQWKJNVMUWRK-FCHUYYIVSA-N 1 2 429.528 1.919 20 0 IDADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5OCCN(c6cnccn6)[C@H]5C4)c3C2)cc1 ZINC001164759447 721260450 /nfs/dbraw/zinc/26/04/50/721260450.db2.gz AKDQWKJNVMUWRK-FCHUYYIVSA-N 1 2 429.528 1.919 20 0 IDADLO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4[nH+]cnc5[n-]cc(S(C)(=O)=O)c54)C3)O2)CC1 ZINC001164884515 721400352 /nfs/dbraw/zinc/40/03/52/721400352.db2.gz DOUKVVARACOXPR-IIBYNOLFSA-N 1 2 448.593 1.127 20 0 IDADLO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4[nH+]cnc5[n-]cc(S(C)(=O)=O)c54)C3)O2)CC1 ZINC001164884513 721400739 /nfs/dbraw/zinc/40/07/39/721400739.db2.gz DOUKVVARACOXPR-IERDGZPVSA-N 1 2 448.593 1.127 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164791046 721421660 /nfs/dbraw/zinc/42/16/60/721421660.db2.gz YZNDBBLHUVIZHE-GHMZBOCLSA-N 1 2 449.936 1.952 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164898106 721525108 /nfs/dbraw/zinc/52/51/08/721525108.db2.gz HSIUAPPFTLRDSL-HOCLYGCPSA-N 1 2 431.493 1.842 20 0 IDADLO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164898106 721525111 /nfs/dbraw/zinc/52/51/11/721525111.db2.gz HSIUAPPFTLRDSL-HOCLYGCPSA-N 1 2 431.493 1.842 20 0 IDADLO O=C([C@@H]1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800308 721594983 /nfs/dbraw/zinc/59/49/83/721594983.db2.gz OXZCMNMWCFNCLH-VABKMULXSA-N 1 2 449.555 1.630 20 0 IDADLO O=C([C@@H]1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800308 721594985 /nfs/dbraw/zinc/59/49/85/721594985.db2.gz OXZCMNMWCFNCLH-VABKMULXSA-N 1 2 449.555 1.630 20 0 IDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008107 721713097 /nfs/dbraw/zinc/71/30/97/721713097.db2.gz AUNJFSPXCFSGMY-SSEXGKCCSA-N 1 2 435.554 1.233 20 0 IDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008107 721713102 /nfs/dbraw/zinc/71/31/02/721713102.db2.gz AUNJFSPXCFSGMY-SSEXGKCCSA-N 1 2 435.554 1.233 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165008272 721714184 /nfs/dbraw/zinc/71/41/84/721714184.db2.gz DLGPRMHVBUYBFE-UHFFFAOYSA-N 1 2 428.541 1.833 20 0 IDADLO CCOC(=O)N1CCc2nnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cc2C1 ZINC001165008272 721714189 /nfs/dbraw/zinc/71/41/89/721714189.db2.gz DLGPRMHVBUYBFE-UHFFFAOYSA-N 1 2 428.541 1.833 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001165014618 721765768 /nfs/dbraw/zinc/76/57/68/721765768.db2.gz HMWXGETZIZUAOF-LJQANCHMSA-N 1 2 433.875 1.785 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001165015548 721766135 /nfs/dbraw/zinc/76/61/35/721766135.db2.gz QXOMNTVNCVMBMY-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(CN5CCOCC5)cn4)CCO3)C2)c1 ZINC001164913631 721770886 /nfs/dbraw/zinc/77/08/86/721770886.db2.gz YWKXFHZLMBZHKE-XMMPIXPASA-N 1 2 439.560 1.417 20 0 IDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(CN5CCOCC5)cn4)CCO3)C2)c1 ZINC001164913631 721770891 /nfs/dbraw/zinc/77/08/91/721770891.db2.gz YWKXFHZLMBZHKE-XMMPIXPASA-N 1 2 439.560 1.417 20 0 IDADLO CCOC(=O)c1cc(C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913590 721776175 /nfs/dbraw/zinc/77/61/75/721776175.db2.gz YAPAODULPQGNOR-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO CCOC(=O)c1cc(C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913590 721776176 /nfs/dbraw/zinc/77/61/76/721776176.db2.gz YAPAODULPQGNOR-JOCHJYFZSA-N 1 2 427.505 1.465 20 0 IDADLO COC(=O)c1cccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc21 ZINC001164913623 721776921 /nfs/dbraw/zinc/77/69/21/721776921.db2.gz YRRHJQSUSRXHES-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO COC(=O)c1cccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc21 ZINC001164913623 721776922 /nfs/dbraw/zinc/77/69/22/721776922.db2.gz YRRHJQSUSRXHES-XMMPIXPASA-N 1 2 449.511 1.919 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911520 721779697 /nfs/dbraw/zinc/77/96/97/721779697.db2.gz GZTOAYLGRLUEJM-QFIPXVFZSA-N 1 2 443.504 1.165 20 0 IDADLO CCOC(=O)c1cnc(OC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911520 721779699 /nfs/dbraw/zinc/77/96/99/721779699.db2.gz GZTOAYLGRLUEJM-QFIPXVFZSA-N 1 2 443.504 1.165 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912420 721779770 /nfs/dbraw/zinc/77/97/70/721779770.db2.gz LSRNQZMMHXAONC-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1nnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912420 721779774 /nfs/dbraw/zinc/77/97/74/721779774.db2.gz LSRNQZMMHXAONC-NRFANRHFSA-N 1 2 447.923 1.810 20 0 IDADLO O=C(c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)N1CCCC1 ZINC001164915586 721789529 /nfs/dbraw/zinc/78/95/29/721789529.db2.gz LPAJDAFAVDOUJC-DEOSSOPVSA-N 1 2 437.544 1.820 20 0 IDADLO O=C(c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)N1CCCC1 ZINC001164915586 721789531 /nfs/dbraw/zinc/78/95/31/721789531.db2.gz LPAJDAFAVDOUJC-DEOSSOPVSA-N 1 2 437.544 1.820 20 0 IDADLO O=C(c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)N1CCCC1 ZINC001164915587 721789764 /nfs/dbraw/zinc/78/97/64/721789764.db2.gz LPAJDAFAVDOUJC-XMMPIXPASA-N 1 2 437.544 1.820 20 0 IDADLO O=C(c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)N1CCCC1 ZINC001164915587 721789766 /nfs/dbraw/zinc/78/97/66/721789766.db2.gz LPAJDAFAVDOUJC-XMMPIXPASA-N 1 2 437.544 1.820 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914905 721790857 /nfs/dbraw/zinc/79/08/57/721790857.db2.gz HLCZJDCTKIFVLR-QHCPKHFHSA-N 1 2 441.532 1.526 20 0 IDADLO CON(C)C(=O)c1cc(C)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914905 721790861 /nfs/dbraw/zinc/79/08/61/721790861.db2.gz HLCZJDCTKIFVLR-QHCPKHFHSA-N 1 2 441.532 1.526 20 0 IDADLO O=C1CSc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2N1 ZINC001164915736 721801141 /nfs/dbraw/zinc/80/11/41/721801141.db2.gz ZCEWHGRAETVACE-FQEVSTJZSA-N 1 2 428.518 1.024 20 0 IDADLO O=C1CSc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2N1 ZINC001164915736 721801143 /nfs/dbraw/zinc/80/11/43/721801143.db2.gz ZCEWHGRAETVACE-FQEVSTJZSA-N 1 2 428.518 1.024 20 0 IDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164943700 721969685 /nfs/dbraw/zinc/96/96/85/721969685.db2.gz CAKDYTJZICHMMT-UHFFFAOYSA-N 1 2 435.572 1.885 20 0 IDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164943700 721969688 /nfs/dbraw/zinc/96/96/88/721969688.db2.gz CAKDYTJZICHMMT-UHFFFAOYSA-N 1 2 435.572 1.885 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946853 721974589 /nfs/dbraw/zinc/97/45/89/721974589.db2.gz LQQDFORVWDXYLA-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946853 721974591 /nfs/dbraw/zinc/97/45/91/721974591.db2.gz LQQDFORVWDXYLA-UHFFFAOYSA-N 1 2 429.908 1.888 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981266 722099421 /nfs/dbraw/zinc/09/94/21/722099421.db2.gz KXICAXBKMDQEKN-HOTGVXAUSA-N 1 2 437.953 1.656 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981266 722099422 /nfs/dbraw/zinc/09/94/22/722099422.db2.gz KXICAXBKMDQEKN-HOTGVXAUSA-N 1 2 437.953 1.656 20 0 IDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)cc1OCC ZINC001164636513 719274468 /nfs/dbraw/zinc/27/44/68/719274468.db2.gz UXMKVBDUMTWCOA-UHFFFAOYSA-N 1 2 434.537 1.416 20 0 IDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)cc1OCC ZINC001164636513 719274471 /nfs/dbraw/zinc/27/44/71/719274471.db2.gz UXMKVBDUMTWCOA-UHFFFAOYSA-N 1 2 434.537 1.416 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COc3cncc(Cl)n3)CC2)C1=O ZINC001164644282 719281273 /nfs/dbraw/zinc/28/12/73/719281273.db2.gz GVEPLKVJDXQYII-UHFFFAOYSA-N 1 2 433.887 1.357 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COc3cncc(Cl)n3)CC2)C1=O ZINC001164644282 719281274 /nfs/dbraw/zinc/28/12/74/719281274.db2.gz GVEPLKVJDXQYII-UHFFFAOYSA-N 1 2 433.887 1.357 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)C1=O ZINC001164644495 719282822 /nfs/dbraw/zinc/28/28/22/719282822.db2.gz MBEHSUMAJOBMKT-UHFFFAOYSA-N 1 2 436.560 1.787 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)C1=O ZINC001164644495 719282826 /nfs/dbraw/zinc/28/28/26/719282826.db2.gz MBEHSUMAJOBMKT-UHFFFAOYSA-N 1 2 436.560 1.787 20 0 IDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)CC2)C1=O ZINC001164644259 719284761 /nfs/dbraw/zinc/28/47/61/719284761.db2.gz FXQFSRPYERWADS-HNNXBMFYSA-N 1 2 439.944 1.057 20 0 IDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)CC2)C1=O ZINC001164644259 719284764 /nfs/dbraw/zinc/28/47/64/719284764.db2.gz FXQFSRPYERWADS-HNNXBMFYSA-N 1 2 439.944 1.057 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699386 719849504 /nfs/dbraw/zinc/84/95/04/719849504.db2.gz HZZXYDMUFYLDQO-YJYMSZOUSA-N 1 2 426.901 1.078 20 0 IDADLO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698718 719851409 /nfs/dbraw/zinc/85/14/09/719851409.db2.gz DBOWDJSSKKHCLS-VBKZILBWSA-N 1 2 440.928 1.468 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cc(OC)c(OC)cc2n1 ZINC001164704615 719852300 /nfs/dbraw/zinc/85/23/00/719852300.db2.gz RVHVXRMHBJVBKD-QRQCRPRQSA-N 1 2 430.505 1.880 20 0 IDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1OCC ZINC001164705977 719853295 /nfs/dbraw/zinc/85/32/95/719853295.db2.gz VTNYLWCFJMOMRO-AOMKIAJQSA-N 1 2 435.521 1.890 20 0 IDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1N1CCOCC1 ZINC001164705075 719855304 /nfs/dbraw/zinc/85/53/04/719855304.db2.gz SQRKTIAKGUEYLV-MGPUTAFESA-N 1 2 439.944 1.199 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1N1CCOCC1 ZINC001164705074 719855536 /nfs/dbraw/zinc/85/55/36/719855536.db2.gz SQRKTIAKGUEYLV-FOIQADDNSA-N 1 2 439.944 1.199 20 0 IDADLO COC(=O)c1nc2cnccc2c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164704625 719859077 /nfs/dbraw/zinc/85/90/77/719859077.db2.gz SAPWCZRMLOLLEK-LHSJRXKWSA-N 1 2 429.477 1.044 20 0 IDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(N(C)C)n1 ZINC001164701562 719859553 /nfs/dbraw/zinc/85/95/53/719859553.db2.gz LBYIOFSVUKZMFM-WZONZLPQSA-N 1 2 440.548 1.837 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(N(C)C)n1 ZINC001164701558 719859728 /nfs/dbraw/zinc/85/97/28/719859728.db2.gz LBYIOFSVUKZMFM-MBSDFSHPSA-N 1 2 440.548 1.837 20 0 IDADLO CCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(N2CCOCC2)n1 ZINC001164703509 719861765 /nfs/dbraw/zinc/86/17/65/719861765.db2.gz QCNVDOXHWYZISA-XMSQKQJNSA-N 1 2 433.553 1.108 20 0 IDADLO CCOC(=O)c1cc2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2[nH]1 ZINC001164704022 719862042 /nfs/dbraw/zinc/86/20/42/719862042.db2.gz QNLWGTLEOUHSPB-ZHRRBRCNSA-N 1 2 430.505 1.972 20 0 IDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(N2CCCCCC2)n1 ZINC001164702320 719867309 /nfs/dbraw/zinc/86/73/09/719867309.db2.gz IIEOWCPPDHDTIO-JTSKRJEESA-N 1 2 448.568 1.493 20 0 IDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC001164708149 719868160 /nfs/dbraw/zinc/86/81/60/719868160.db2.gz XREQMMAMVAAPKZ-UZLBHIALSA-N 1 2 440.566 1.001 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164709244 719906876 /nfs/dbraw/zinc/90/68/76/719906876.db2.gz RHZAZCHGHRMVRS-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164708654 719912660 /nfs/dbraw/zinc/91/26/60/719912660.db2.gz FGHWMZIFQCEOJI-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164709253 719913755 /nfs/dbraw/zinc/91/37/55/719913755.db2.gz RRTDYKUQTHXRLH-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164708134 719918275 /nfs/dbraw/zinc/91/82/75/719918275.db2.gz DNANWZDMGHCJRW-UHFFFAOYSA-N 1 2 425.871 1.359 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164708908 719918431 /nfs/dbraw/zinc/91/84/31/719918431.db2.gz MWSPMGOJQNHORB-UHFFFAOYSA-N 1 2 437.548 1.001 20 0 IDADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2ccccn2)n1 ZINC001164708023 719921246 /nfs/dbraw/zinc/92/12/46/719921246.db2.gz AJDUMJQRRGQDEU-UHFFFAOYSA-N 1 2 432.532 1.531 20 0 IDADLO Cc1nc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1C ZINC001164708521 719921422 /nfs/dbraw/zinc/92/14/22/719921422.db2.gz KJMUHDQCMMNWCL-UHFFFAOYSA-N 1 2 443.943 1.009 20 0 IDADLO Cc1cc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)nn1 ZINC001164708111 719924008 /nfs/dbraw/zinc/92/40/08/719924008.db2.gz CMOAVYOWCOHRAK-UHFFFAOYSA-N 1 2 439.898 1.667 20 0 IDADLO CCOC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164704202 719930794 /nfs/dbraw/zinc/93/07/94/719930794.db2.gz PHGQOSUFFNNOOH-UHFFFAOYSA-N 1 2 426.521 1.251 20 0 IDADLO CSc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(SC)n1 ZINC001164715691 719936984 /nfs/dbraw/zinc/93/69/84/719936984.db2.gz TZDWQAQCZFZZLN-UHFFFAOYSA-N 1 2 433.607 1.604 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164704176 719936832 /nfs/dbraw/zinc/93/68/32/719936832.db2.gz OEXRKODTLQDBPP-UHFFFAOYSA-N 1 2 425.924 1.967 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164703616 720047863 /nfs/dbraw/zinc/04/78/63/720047863.db2.gz LAXBKIKXVLDGHN-UHFFFAOYSA-N 1 2 426.912 1.362 20 0 IDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164702265 720048555 /nfs/dbraw/zinc/04/85/55/720048555.db2.gz DNBCVGLKDKCJED-UHFFFAOYSA-N 1 2 440.882 1.844 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164716704 720215804 /nfs/dbraw/zinc/21/58/04/720215804.db2.gz CZIPOQNBCKOZET-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164716704 720215817 /nfs/dbraw/zinc/21/58/17/720215817.db2.gz CZIPOQNBCKOZET-MRXNPFEDSA-N 1 2 438.306 1.993 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(cccc4C(=O)OC)n3)C2)C1 ZINC001164720704 720234060 /nfs/dbraw/zinc/23/40/60/720234060.db2.gz ZXNBXVVGKXYDGU-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(cccc4C(=O)OC)n3)C2)C1 ZINC001164720704 720234076 /nfs/dbraw/zinc/23/40/76/720234076.db2.gz ZXNBXVVGKXYDGU-JOCHJYFZSA-N 1 2 427.505 1.081 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164720406 720260694 /nfs/dbraw/zinc/26/06/94/720260694.db2.gz VFIGXFJHOSNZQN-HSZRJFAPSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(OCc4ccccc4)cnn3)C2)C1 ZINC001164720406 720260696 /nfs/dbraw/zinc/26/06/96/720260696.db2.gz VFIGXFJHOSNZQN-HSZRJFAPSA-N 1 2 425.533 1.720 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164719376 720264295 /nfs/dbraw/zinc/26/42/95/720264295.db2.gz LPWQSPKVDXPTGC-GOSISDBHSA-N 1 2 431.915 1.957 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164719376 720264306 /nfs/dbraw/zinc/26/43/06/720264306.db2.gz LPWQSPKVDXPTGC-GOSISDBHSA-N 1 2 431.915 1.957 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c4c(nnc3Cl)CCC4)C2)C1 ZINC001164721866 720290064 /nfs/dbraw/zinc/29/00/64/720290064.db2.gz MIFGVHYSKDMCRN-LJQANCHMSA-N 1 2 443.926 1.828 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c4c(nnc3Cl)CCC4)C2)C1 ZINC001164721866 720290070 /nfs/dbraw/zinc/29/00/70/720290070.db2.gz MIFGVHYSKDMCRN-LJQANCHMSA-N 1 2 443.926 1.828 20 0 IDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(C(=O)OC)nc3Cl)C2)C1 ZINC001164723753 720308895 /nfs/dbraw/zinc/30/88/95/720308895.db2.gz OUIYQBJDRGBYMD-SFHVURJKSA-N 1 2 446.335 1.235 20 0 IDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(C(=O)OC)nc3Cl)C2)C1 ZINC001164723753 720308904 /nfs/dbraw/zinc/30/89/04/720308904.db2.gz OUIYQBJDRGBYMD-SFHVURJKSA-N 1 2 446.335 1.235 20 0 IDADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164824811 720358487 /nfs/dbraw/zinc/35/84/87/720358487.db2.gz MOUHAWPGAVUUDU-UHFFFAOYSA-N 1 2 429.546 1.946 20 0 IDADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164824811 720358495 /nfs/dbraw/zinc/35/84/95/720358495.db2.gz MOUHAWPGAVUUDU-UHFFFAOYSA-N 1 2 429.546 1.946 20 0 IDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)cn1 ZINC001164824790 720359069 /nfs/dbraw/zinc/35/90/69/720359069.db2.gz LHNUQBDZVVYMLI-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)cn1 ZINC001164824790 720359076 /nfs/dbraw/zinc/35/90/76/720359076.db2.gz LHNUQBDZVVYMLI-UHFFFAOYSA-N 1 2 430.534 1.341 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ncc4C(N)=O)CC3)C2=O)cs1 ZINC001164824834 720363556 /nfs/dbraw/zinc/36/35/56/720363556.db2.gz NVSKMSXFATWCFB-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ncc4C(N)=O)CC3)C2=O)cs1 ZINC001164824834 720363560 /nfs/dbraw/zinc/36/35/60/720363560.db2.gz NVSKMSXFATWCFB-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(OC)n1 ZINC001164826479 720364657 /nfs/dbraw/zinc/36/46/57/720364657.db2.gz VRHJJFPPTQTWIK-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(OC)n1 ZINC001164826479 720364662 /nfs/dbraw/zinc/36/46/62/720364662.db2.gz VRHJJFPPTQTWIK-UHFFFAOYSA-N 1 2 432.550 1.572 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cnc4C(N)=O)CC3)C2=O)cs1 ZINC001164824829 720366497 /nfs/dbraw/zinc/36/64/97/720366497.db2.gz NMCHHZRDDSLLJK-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cnc4C(N)=O)CC3)C2=O)cs1 ZINC001164824829 720366504 /nfs/dbraw/zinc/36/65/04/720366504.db2.gz NMCHHZRDDSLLJK-UHFFFAOYSA-N 1 2 449.968 1.307 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C)c4C(N)=O)CC3)C2=O)cs1 ZINC001164823230 720367947 /nfs/dbraw/zinc/36/79/47/720367947.db2.gz COVVNBHQXSQZIH-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C)c4C(N)=O)CC3)C2=O)cs1 ZINC001164823230 720367954 /nfs/dbraw/zinc/36/79/54/720367954.db2.gz COVVNBHQXSQZIH-UHFFFAOYSA-N 1 2 428.562 1.567 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c4C(=O)NC5)CC3)C2=O)cs1 ZINC001164820521 720369206 /nfs/dbraw/zinc/36/92/06/720369206.db2.gz PNFKZOYRODCDCR-UHFFFAOYSA-N 1 2 426.546 1.403 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c4C(=O)NC5)CC3)C2=O)cs1 ZINC001164820521 720369214 /nfs/dbraw/zinc/36/92/14/720369214.db2.gz PNFKZOYRODCDCR-UHFFFAOYSA-N 1 2 426.546 1.403 20 0 IDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-n5ccnc5)nn4)CC3)C2=O)cs1 ZINC001164819323 720375236 /nfs/dbraw/zinc/37/52/36/720375236.db2.gz CLOJQBBAYQRZBA-UHFFFAOYSA-N 1 2 438.561 1.740 20 0 IDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-n5ccnc5)nn4)CC3)C2=O)cs1 ZINC001164819323 720375242 /nfs/dbraw/zinc/37/52/42/720375242.db2.gz CLOJQBBAYQRZBA-UHFFFAOYSA-N 1 2 438.561 1.740 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164827526 720428965 /nfs/dbraw/zinc/42/89/65/720428965.db2.gz STHTXJQUHZKUCQ-CYBMUJFWSA-N 1 2 449.918 1.937 20 0 IDADLO CCOC(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164827525 720432913 /nfs/dbraw/zinc/43/29/13/720432913.db2.gz SPSHCZLNKCHJJL-SFHVURJKSA-N 1 2 429.521 1.444 20 0 IDADLO CCOC(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164827524 720433799 /nfs/dbraw/zinc/43/37/99/720433799.db2.gz SPSHCZLNKCHJJL-GOSISDBHSA-N 1 2 429.521 1.444 20 0 IDADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164827264 720433989 /nfs/dbraw/zinc/43/39/89/720433989.db2.gz ZSONJMCPQLUAOG-OAHLLOKOSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(F)ccc31)C2 ZINC001164827283 720434812 /nfs/dbraw/zinc/43/48/12/720434812.db2.gz ZYPAHQUSYHIZIJ-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164825172 720435240 /nfs/dbraw/zinc/43/52/40/720435240.db2.gz QKHJCPZYISYHLE-CQSZACIVSA-N 1 2 442.898 1.861 20 0 IDADLO CC(C)OC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822320 720439215 /nfs/dbraw/zinc/43/92/15/720439215.db2.gz CSBKZIQUMIKYFH-KRWDZBQOSA-N 1 2 444.536 1.228 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822724 720442132 /nfs/dbraw/zinc/44/21/32/720442132.db2.gz HDSKMRFNCOBGOL-INIZCTEOSA-N 1 2 445.520 1.063 20 0 IDADLO COC(=O)c1cc(OC)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822726 720442595 /nfs/dbraw/zinc/44/25/95/720442595.db2.gz HDSKMRFNCOBGOL-MRXNPFEDSA-N 1 2 445.520 1.063 20 0 IDADLO CCOc1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822296 720444264 /nfs/dbraw/zinc/44/42/64/720444264.db2.gz CMCVLPCXOWXBOK-HNNXBMFYSA-N 1 2 436.944 1.715 20 0 IDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c(F)cccc31)C2 ZINC001164825666 720447283 /nfs/dbraw/zinc/44/72/83/720447283.db2.gz UCZWNOVJLWXELJ-INIZCTEOSA-N 1 2 426.496 1.955 20 0 IDADLO COc1c(Cl)nc(C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826366 720452041 /nfs/dbraw/zinc/45/20/41/720452041.db2.gz VZYDNOIIHUIZMH-HNNXBMFYSA-N 1 2 436.944 1.633 20 0 IDADLO COc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164823426 720452099 /nfs/dbraw/zinc/45/20/99/720452099.db2.gz JPTUVTWEBGYZHA-OAHLLOKOSA-N 1 2 434.566 1.393 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3cccnc31)C2 ZINC001164822807 720453188 /nfs/dbraw/zinc/45/31/88/720453188.db2.gz IDBCSNGECAQGKJ-OAHLLOKOSA-N 1 2 443.939 1.864 20 0 IDADLO COc1ccc2c(c1)ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822430 720453627 /nfs/dbraw/zinc/45/36/27/720453627.db2.gz FASQCOAXIRIKDS-KRWDZBQOSA-N 1 2 438.532 1.825 20 0 IDADLO COC(=O)c1ccc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831809 720456659 /nfs/dbraw/zinc/45/66/59/720456659.db2.gz RCHVDBZLWRKLTP-HNNXBMFYSA-N 1 2 449.939 1.708 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164829167 720459106 /nfs/dbraw/zinc/45/91/06/720459106.db2.gz CZIKKNDLCRYPQL-LJQANCHMSA-N 1 2 435.532 1.725 20 0 IDADLO CNC(=O)c1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164829651 720461065 /nfs/dbraw/zinc/46/10/65/720461065.db2.gz GMRWDOOQOHZMHC-HNNXBMFYSA-N 1 2 448.955 1.281 20 0 IDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCC3)n1)C2 ZINC001164831200 720463589 /nfs/dbraw/zinc/46/35/89/720463589.db2.gz NKNRWLFMQYKHMD-GOSISDBHSA-N 1 2 427.553 1.263 20 0 IDADLO C=Cc1nc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164829913 720468762 /nfs/dbraw/zinc/46/87/62/720468762.db2.gz HPYCRSCFBDCKSW-HNNXBMFYSA-N 1 2 448.955 1.968 20 0 IDADLO C=Cc1nc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164829914 720468895 /nfs/dbraw/zinc/46/88/95/720468895.db2.gz HPYCRSCFBDCKSW-OAHLLOKOSA-N 1 2 448.955 1.968 20 0 IDADLO Cc1noc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2)n1 ZINC001164831773 720471942 /nfs/dbraw/zinc/47/19/42/720471942.db2.gz QEVOVRZVHVPLHY-GOSISDBHSA-N 1 2 439.520 1.626 20 0 IDADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891887 721389312 /nfs/dbraw/zinc/38/93/12/721389312.db2.gz RIDZIZUQWWJTCH-KSFYIVLOSA-N 1 2 428.537 1.462 20 0 IDADLO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4[nH+]cnc5[n-]cc(S(C)(=O)=O)c54)C3)O2)CC1 ZINC001164884517 721400390 /nfs/dbraw/zinc/40/03/90/721400390.db2.gz DOUKVVARACOXPR-KKSFZXQISA-N 1 2 448.593 1.127 20 0 IDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164791052 721421556 /nfs/dbraw/zinc/42/15/56/721421556.db2.gz YZNDBBLHUVIZHE-QWRGUYRKSA-N 1 2 449.936 1.952 20 0 IDADLO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800324 721595005 /nfs/dbraw/zinc/59/50/05/721595005.db2.gz OXZCMNMWCFNCLH-ZRBLBEILSA-N 1 2 449.555 1.630 20 0 IDADLO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800324 721595006 /nfs/dbraw/zinc/59/50/06/721595006.db2.gz OXZCMNMWCFNCLH-ZRBLBEILSA-N 1 2 449.555 1.630 20 0 IDADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001165015141 721766007 /nfs/dbraw/zinc/76/60/07/721766007.db2.gz MLXQMSDXLUQZKL-UHFFFAOYSA-N 1 2 436.854 1.598 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912080 721769118 /nfs/dbraw/zinc/76/91/18/721769118.db2.gz KAMAFHFNVHUDFP-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912080 721769121 /nfs/dbraw/zinc/76/91/21/721769121.db2.gz KAMAFHFNVHUDFP-HXUWFJFHSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1OC ZINC001164913568 721772178 /nfs/dbraw/zinc/77/21/78/721772178.db2.gz XMULBQKNILFYFI-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1OC ZINC001164913568 721772180 /nfs/dbraw/zinc/77/21/80/721772180.db2.gz XMULBQKNILFYFI-JOCHJYFZSA-N 1 2 428.489 1.380 20 0 IDADLO CCOC(=O)Cc1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913000 721772933 /nfs/dbraw/zinc/77/29/33/721772933.db2.gz SUYWQFJIYHRPDV-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO CCOC(=O)Cc1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913000 721772935 /nfs/dbraw/zinc/77/29/35/721772935.db2.gz SUYWQFJIYHRPDV-HSZRJFAPSA-N 1 2 426.517 1.690 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914100 721783823 /nfs/dbraw/zinc/78/38/23/721783823.db2.gz BQXPPAMUQQRSHW-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO COC(=O)c1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914100 721783827 /nfs/dbraw/zinc/78/38/27/721783827.db2.gz BQXPPAMUQQRSHW-FQEVSTJZSA-N 1 2 433.896 1.419 20 0 IDADLO CON(C)C(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914839 721790145 /nfs/dbraw/zinc/79/01/45/721790145.db2.gz GCKJKGCDEDAKTA-QFIPXVFZSA-N 1 2 427.505 1.218 20 0 IDADLO CON(C)C(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914839 721790148 /nfs/dbraw/zinc/79/01/48/721790148.db2.gz GCKJKGCDEDAKTA-QFIPXVFZSA-N 1 2 427.505 1.218 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914077 721790675 /nfs/dbraw/zinc/79/06/75/721790675.db2.gz BAERRHKOJIQCBJ-QFIPXVFZSA-N 1 2 427.505 1.085 20 0 IDADLO CCOC(=O)Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914077 721790676 /nfs/dbraw/zinc/79/06/76/721790676.db2.gz BAERRHKOJIQCBJ-QFIPXVFZSA-N 1 2 427.505 1.085 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164917484 721791486 /nfs/dbraw/zinc/79/14/86/721791486.db2.gz XLGTWBCNSFHAJS-NRFANRHFSA-N 1 2 446.939 1.461 20 0 IDADLO CN1CCOc2c(Cl)nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164917484 721791487 /nfs/dbraw/zinc/79/14/87/721791487.db2.gz XLGTWBCNSFHAJS-NRFANRHFSA-N 1 2 446.939 1.461 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914426 721792202 /nfs/dbraw/zinc/79/22/02/721792202.db2.gz DBNWERSHMRURPD-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO CCOC(=O)c1ncnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914426 721792205 /nfs/dbraw/zinc/79/22/05/721792205.db2.gz DBNWERSHMRURPD-OAQYLSRUSA-N 1 2 447.923 1.810 20 0 IDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2S(=O)(=O)N2CCCC2)CC1 ZINC001164918305 721817724 /nfs/dbraw/zinc/81/77/24/721817724.db2.gz NBFVUKFWGRQVNS-UHFFFAOYSA-N 1 2 430.578 1.812 20 0 IDADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCOCC5)[nH+]cn4)CCO3)C2)cs1 ZINC001164921619 721823710 /nfs/dbraw/zinc/82/37/10/721823710.db2.gz BPURSKSSSZGTFY-OAQYLSRUSA-N 1 2 446.577 1.186 20 0 IDADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCOCC5)nc[nH+]4)CCO3)C2)cs1 ZINC001164921619 721823711 /nfs/dbraw/zinc/82/37/11/721823711.db2.gz BPURSKSSSZGTFY-OAQYLSRUSA-N 1 2 446.577 1.186 20 0 IDADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c12 ZINC001164941230 721939493 /nfs/dbraw/zinc/93/94/93/721939493.db2.gz GSWAUWBGPHLGAJ-DLBZAZTESA-N 1 2 426.477 1.829 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945030 721972725 /nfs/dbraw/zinc/97/27/25/721972725.db2.gz NGIDRRFFWMKIQX-UHFFFAOYSA-N 1 2 443.935 1.817 20 0 IDADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945030 721972727 /nfs/dbraw/zinc/97/27/27/721972727.db2.gz NGIDRRFFWMKIQX-UHFFFAOYSA-N 1 2 443.935 1.817 20 0 IDADLO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946985 721976143 /nfs/dbraw/zinc/97/61/43/721976143.db2.gz MWAOGQFYJURBTF-UHFFFAOYSA-N 1 2 447.539 1.702 20 0 IDADLO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946985 721976147 /nfs/dbraw/zinc/97/61/47/721976147.db2.gz MWAOGQFYJURBTF-UHFFFAOYSA-N 1 2 447.539 1.702 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945565 721981977 /nfs/dbraw/zinc/98/19/77/721981977.db2.gz AHLWFAKJGLVIPG-UHFFFAOYSA-N 1 2 442.951 1.851 20 0 IDADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945565 721981980 /nfs/dbraw/zinc/98/19/80/721981980.db2.gz AHLWFAKJGLVIPG-UHFFFAOYSA-N 1 2 442.951 1.851 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981270 722099363 /nfs/dbraw/zinc/09/93/63/722099363.db2.gz KXICAXBKMDQEKN-JKSUJKDBSA-N 1 2 437.953 1.656 20 0 IDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981270 722099365 /nfs/dbraw/zinc/09/93/65/722099365.db2.gz KXICAXBKMDQEKN-JKSUJKDBSA-N 1 2 437.953 1.656 20 0 IDADLO CCc1cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc(N2CCOCC2)[nH+]1 ZINC001164997124 722235427 /nfs/dbraw/zinc/23/54/27/722235427.db2.gz KWGKKIMXETWMNX-UHFFFAOYSA-N 1 2 438.580 1.023 20 0 IDADLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001165004213 722260822 /nfs/dbraw/zinc/26/08/22/722260822.db2.gz OMFDFVWRAOWWIW-JOCHJYFZSA-N 1 2 426.496 1.380 20 0 IDADLO