smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)-c1c(O)c(OC)ccc1C[C@@H](CCc1ccccc1)[N@H+](C)CC2 ZINC000000607716 557019146 /nfs/dbraw/zinc/01/91/46/557019146.db2.gz IORHSKBXWWSQME-JOCHJYFZSA-N 1 1 417.549 5.108 40 0 in-man HKABMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1O ZINC000000904260 560544920 /nfs/dbraw/zinc/54/49/20/560544920.db2.gz QBKXNNBDSJUZJO-UHFFFAOYSA-N 1 1 416.319 5.223 40 0 HKABMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)ccc1O ZINC000000904270 560544942 /nfs/dbraw/zinc/54/49/42/560544942.db2.gz PJEOTSVYGJIYDM-UHFFFAOYSA-N 1 1 416.319 5.223 40 0 HKABMO O=C(Nc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1)c1cccs1 ZINC000001342614 560575986 /nfs/dbraw/zinc/57/59/86/560575986.db2.gz NINQBDFAFZBRJS-UHFFFAOYSA-N 1 1 416.550 6.060 40 0 HKABMO CCC(C)(C)Nc1c(-c2ccc(NC(=O)c3cccs3)cc2)[nH+]c2ccc(C)cn21 ZINC000001347580 560576599 /nfs/dbraw/zinc/57/65/99/560576599.db2.gz NWDPAGJGJXEBPU-UHFFFAOYSA-N 1 1 418.566 6.224 40 0 HKABMO CCC(C)(C)Nc1c(-c2ccc(NC(=O)c3cccs3)cc2)[nH+]c2ccccn21 ZINC000001347585 560576580 /nfs/dbraw/zinc/57/65/80/560576580.db2.gz YOQGJCPYGCOJEC-UHFFFAOYSA-N 1 1 404.539 5.916 40 0 HKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000001376147 560581380 /nfs/dbraw/zinc/58/13/80/560581380.db2.gz DKTJSXPPQSCJDD-UHFFFAOYSA-N 1 1 407.857 5.004 40 0 HKABMO COC(CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)OC ZINC000001447630 568930703 /nfs/dbraw/zinc/93/07/03/568930703.db2.gz QWNGDPLLUIKMNI-UHFFFAOYSA-N 1 1 422.916 5.162 40 0 HKABMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)c1 ZINC000001447715 568930632 /nfs/dbraw/zinc/93/06/32/568930632.db2.gz WBNQAKZOYCMZDE-LJQANCHMSA-N 1 1 404.901 5.332 40 0 HKABMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)c1 ZINC000001447716 568930644 /nfs/dbraw/zinc/93/06/44/568930644.db2.gz WBNQAKZOYCMZDE-IBGZPJMESA-N 1 1 404.901 5.332 40 0 HKABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N(CCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000001507468 557270682 /nfs/dbraw/zinc/27/06/82/557270682.db2.gz UEDDLRKJYMSMJY-CBQGHPETSA-N 1 1 417.380 5.304 40 0 HKABMO O=C(Nc1cccc2ccccc21)OCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000001556478 132247133 /nfs/dbraw/zinc/24/71/33/132247133.db2.gz BNELZSWQTPAUAW-UHFFFAOYSA-N 1 1 423.944 5.254 40 0 HKABMO CC[C@@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000001630542 557277461 /nfs/dbraw/zinc/27/74/61/557277461.db2.gz IBFSIGFORJKEAJ-ZOSUSCCZSA-N 1 1 402.538 5.562 40 0 HKABMO CC[NH+](CC)c1ccc(N[C@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000001668884 557279538 /nfs/dbraw/zinc/27/95/38/557279538.db2.gz LCMAGTCMJABXSA-VWLOTQADSA-N 1 1 418.537 5.586 40 0 HKABMO c1ccc(CN2CC[N@@H+](Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001671574 557279823 /nfs/dbraw/zinc/27/98/23/557279823.db2.gz YUVNSJUFIXOJHN-UHFFFAOYSA-N 1 1 416.568 6.530 40 0 HKABMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001689586 132247342 /nfs/dbraw/zinc/24/73/42/132247342.db2.gz FVXMKGRYMOKOFX-JWTNVVGKSA-N 1 1 400.975 5.321 40 0 in-vitro HKABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1cccc(Br)c1 ZINC000001716186 557282467 /nfs/dbraw/zinc/28/24/67/557282467.db2.gz TUKLUQBCQLQCTC-INIZCTEOSA-N 1 1 402.332 5.181 40 0 HKABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000001716187 557282527 /nfs/dbraw/zinc/28/25/27/557282527.db2.gz HZTXHBKYGFJITQ-INIZCTEOSA-N 1 1 402.332 5.181 40 0 HKABMO Oc1cc(C[NH+](Cc2ccccc2)Cc2cc(O)c3ncccc3c2)cc2cccnc12 ZINC000001717594 557282494 /nfs/dbraw/zinc/28/24/94/557282494.db2.gz KPDHEUCSHRLRHP-UHFFFAOYSA-N 1 1 421.500 5.397 40 0 HKABMO CC[N@H+]1CC[C@@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001726496 132247632 /nfs/dbraw/zinc/24/76/32/132247632.db2.gz NJAXYLBHGRUHJR-QFIPXVFZSA-N 1 1 402.991 5.691 40 0 HKABMO C[N@H+]1CC[C@@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000001726504 536475528 /nfs/dbraw/zinc/47/55/28/536475528.db2.gz KPRFXTZPBHBLSP-RUZDIDTESA-N 1 1 424.610 5.733 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000001744877 557284318 /nfs/dbraw/zinc/28/43/18/557284318.db2.gz PVLWQGZUFMCXRG-NSOVKSMOSA-N 1 1 423.556 5.157 40 0 HKABMO COc1ccc2c(c1)-c1c(O)c(OC)ccc1C[C@H](CCc1ccccc1)[N@H+](C)CC2 ZINC000001999551 557299195 /nfs/dbraw/zinc/29/91/95/557299195.db2.gz IORHSKBXWWSQME-QFIPXVFZSA-N 1 1 417.549 5.108 40 0 in-man HKABMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000002098994 568932626 /nfs/dbraw/zinc/93/26/26/568932626.db2.gz XGYONAAGJOZHRO-KXCAJURRSA-N 1 1 407.554 5.172 40 0 HKABMO COc1ccccc1C1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000002260794 560559569 /nfs/dbraw/zinc/55/95/69/560559569.db2.gz LTBHDKLBZYZJDK-RZVBBFASSA-N 1 1 401.550 5.583 40 0 HKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000002406893 557705266 /nfs/dbraw/zinc/70/52/66/557705266.db2.gz WHZYEDGTWVFQTK-OYDLWJJNSA-N 1 1 415.961 5.226 40 0 HKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000002448672 560559844 /nfs/dbraw/zinc/55/98/44/560559844.db2.gz SCUTXQRXFFYAIA-IGKWTDBASA-N 1 1 415.961 5.226 40 0 HKABMO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000002580997 557358046 /nfs/dbraw/zinc/35/80/46/557358046.db2.gz ODTTVNAVWYUGKP-HXUWFJFHSA-N 1 1 407.341 5.399 40 0 HKABMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)c1 ZINC000002714641 568931526 /nfs/dbraw/zinc/93/15/26/568931526.db2.gz OOHWMEKZEVECFL-UHFFFAOYSA-N 1 1 410.908 6.353 40 0 HKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000003588450 568918002 /nfs/dbraw/zinc/91/80/02/568918002.db2.gz RGKLZUHRUNUXFX-UHFFFAOYSA-N 1 1 420.365 5.421 40 0 HKABMO c1ccc(C(O[C@@H]2CCC[N@H+](CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 ZINC000003802222 557498799 /nfs/dbraw/zinc/49/87/99/557498799.db2.gz BDNFQGRSKSQXRI-XMMPIXPASA-N 1 1 415.533 5.228 40 0 in-man HKABMO CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003845372 557500412 /nfs/dbraw/zinc/50/04/12/557500412.db2.gz RDWRBYXTTMJESU-BXTSTYNKSA-N 1 1 409.573 5.962 40 0 HKABMO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003845373 557500272 /nfs/dbraw/zinc/50/02/72/557500272.db2.gz RDWRBYXTTMJESU-SKVJQKLOSA-N 1 1 409.573 5.962 40 0 HKABMO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2)C1 ZINC000004237283 291298711 /nfs/dbraw/zinc/29/87/11/291298711.db2.gz VLLARFPTOOWKAT-SQJMNOBHSA-N 1 1 406.529 5.288 40 0 biogenic,in-vitro HKABMO C[N@@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CC2 ZINC000004256158 557532431 /nfs/dbraw/zinc/53/24/31/557532431.db2.gz ZRNVQJAGAFWHLN-SXOMAYOGSA-N 1 1 422.572 5.789 40 0 HKABMO COc1ccccc1C1(O)[C@@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004714096 568419466 /nfs/dbraw/zinc/41/94/66/568419466.db2.gz LTBHDKLBZYZJDK-KFJMFTIGSA-N 1 1 401.550 5.583 40 0 HKABMO COc1ccccc1C1(O)[C@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004714097 568419421 /nfs/dbraw/zinc/41/94/21/568419421.db2.gz LTBHDKLBZYZJDK-HULPHCPZSA-N 1 1 401.550 5.583 40 0 HKABMO CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785717 560608719 /nfs/dbraw/zinc/60/87/19/560608719.db2.gz FWOQAZJKWCARFG-BCQCSXDESA-N 1 1 422.613 5.122 40 0 HKABMO CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785719 560608708 /nfs/dbraw/zinc/60/87/08/560608708.db2.gz FWOQAZJKWCARFG-OREGWCPLSA-N 1 1 422.613 5.122 40 0 HKABMO O[C@]1(c2ccccc2)O[C@@H](c2ccccc2)C[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792095 557598180 /nfs/dbraw/zinc/59/81/80/557598180.db2.gz GRJGBWAPFPDRSY-SSBOKUKZSA-N 1 1 421.540 5.847 40 0 HKABMO O[C@]1(c2ccccc2)O[C@H](c2ccccc2)C[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000004792096 557598194 /nfs/dbraw/zinc/59/81/94/557598194.db2.gz GRJGBWAPFPDRSY-YTCPBCGMSA-N 1 1 421.540 5.847 40 0 HKABMO C[n+]1c(/C=C\c2ccc3cccc(OCc4ccccc4)c3n2)ccc2cccc(O)c21 ZINC000004822028 557603260 /nfs/dbraw/zinc/60/32/60/557603260.db2.gz RJTSKCHSZXGLMX-UHFFFAOYSA-O 1 1 419.504 5.668 40 0 HKABMO CN(C)c1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848476 560610169 /nfs/dbraw/zinc/61/01/69/560610169.db2.gz TYQMHUJGSHSQTR-UHFFFAOYSA-N 1 1 420.900 5.062 40 0 HKABMO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004857300 560612038 /nfs/dbraw/zinc/61/20/38/560612038.db2.gz VEOYJBYUHPFCCH-AYHJJNSGSA-N 1 1 415.628 5.019 40 0 HKABMO O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000004883054 557609706 /nfs/dbraw/zinc/60/97/06/557609706.db2.gz FRJNEHLBVLTPBU-SEJPIABJSA-N 1 1 401.913 5.186 40 0 HKABMO O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000004883144 560614787 /nfs/dbraw/zinc/61/47/87/560614787.db2.gz JWMBMROYEFZTDP-YQQQUEKLSA-N 1 1 401.913 5.186 40 0 HKABMO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883215 557609742 /nfs/dbraw/zinc/60/97/42/557609742.db2.gz LQRATDFWKBPIBH-MQVJKMGUSA-N 1 1 423.504 5.474 40 0 HKABMO O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883249 560614762 /nfs/dbraw/zinc/61/47/62/560614762.db2.gz PMQWLGQMTPXPQH-AYHJJNSGSA-N 1 1 423.504 5.474 40 0 HKABMO C[N@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC000004889632 560615017 /nfs/dbraw/zinc/61/50/17/560615017.db2.gz MRIAMYXPXGQRNE-UHFFFAOYSA-N 1 1 410.583 5.061 40 0 HKABMO C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC000004889632 560615018 /nfs/dbraw/zinc/61/50/18/560615018.db2.gz MRIAMYXPXGQRNE-UHFFFAOYSA-N 1 1 410.583 5.061 40 0 HKABMO C[N@H+](CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2)C1CCCCC1 ZINC000004889914 560615088 /nfs/dbraw/zinc/61/50/88/560615088.db2.gz JWXQHPZDUMWFAT-UHFFFAOYSA-N 1 1 416.612 5.122 40 0 HKABMO C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2)C1CCCCC1 ZINC000004889914 560615089 /nfs/dbraw/zinc/61/50/89/560615089.db2.gz JWXQHPZDUMWFAT-UHFFFAOYSA-N 1 1 416.612 5.122 40 0 HKABMO Cc1ccccc1C(=O)c1c(NC(=O)C[N@@H+](C)C2CCCCC2)sc2c1CCCC2 ZINC000004889916 560615065 /nfs/dbraw/zinc/61/50/65/560615065.db2.gz PXBJITKWXLGZPW-UHFFFAOYSA-N 1 1 424.610 5.369 40 0 HKABMO Cc1ccccc1C(=O)c1c(NC(=O)C[N@H+](C)C2CCCCC2)sc2c1CCCC2 ZINC000004889916 560615066 /nfs/dbraw/zinc/61/50/66/560615066.db2.gz PXBJITKWXLGZPW-UHFFFAOYSA-N 1 1 424.610 5.369 40 0 HKABMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000004896489 560611191 /nfs/dbraw/zinc/61/11/91/560611191.db2.gz JUZWVPNGLGJJST-UHFFFAOYSA-N 1 1 413.565 5.318 40 0 HKABMO C[NH+](C)Cc1c(Cl)c2ccccc2cc1C(O)(c1ccccc1)c1ccccc1 ZINC000004934639 557614804 /nfs/dbraw/zinc/61/48/04/557614804.db2.gz YFIFXXLIPHBBHI-UHFFFAOYSA-N 1 1 401.937 5.839 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966391 560621685 /nfs/dbraw/zinc/62/16/85/560621685.db2.gz LPLFXLKDBQLOID-UHFFFAOYSA-N 1 1 407.583 5.239 40 0 HKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cccc2ccccc21 ZINC000004966441 560621669 /nfs/dbraw/zinc/62/16/69/560621669.db2.gz GYGYQJWZONVTAE-UHFFFAOYSA-N 1 1 401.535 5.268 40 0 HKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1C(F)(F)F ZINC000004966452 560621727 /nfs/dbraw/zinc/62/17/27/560621727.db2.gz TXZQUVYQZFGOGK-UHFFFAOYSA-N 1 1 419.472 5.133 40 0 HKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)[N@H+]2Cc1ccccc1 ZINC000004984375 560619260 /nfs/dbraw/zinc/61/92/60/560619260.db2.gz ZHLJKTQAWJWBRF-TVPUMLRDSA-N 1 1 417.505 5.034 40 0 HKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)[N@H+]2Cc1ccccc1 ZINC000004984391 560619209 /nfs/dbraw/zinc/61/92/09/560619209.db2.gz ZHLJKTQAWJWBRF-XBZNOJLSSA-N 1 1 417.505 5.034 40 0 HKABMO Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000005001987 569051802 /nfs/dbraw/zinc/05/18/02/569051802.db2.gz PDZWGMUHAXEMFJ-UHFFFAOYSA-N 1 1 403.526 5.667 40 0 HKABMO CC[N@H+]1CC[C@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000005053138 132299665 /nfs/dbraw/zinc/29/96/65/132299665.db2.gz NJAXYLBHGRUHJR-JOCHJYFZSA-N 1 1 402.991 5.691 40 0 HKABMO C[N@H+]1CC[C@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000005053140 132299673 /nfs/dbraw/zinc/29/96/73/132299673.db2.gz KPRFXTZPBHBLSP-VWLOTQADSA-N 1 1 424.610 5.733 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000005105039 557636788 /nfs/dbraw/zinc/63/67/88/557636788.db2.gz PVLWQGZUFMCXRG-IZLXSDGUSA-N 1 1 423.556 5.157 40 0 HKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163662 568441919 /nfs/dbraw/zinc/44/19/19/568441919.db2.gz WHZYEDGTWVFQTK-QDSKXPNFSA-N 1 1 415.961 5.226 40 0 HKABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1cccc(Br)c1 ZINC000005187379 557639104 /nfs/dbraw/zinc/63/91/04/557639104.db2.gz TUKLUQBCQLQCTC-MRXNPFEDSA-N 1 1 402.332 5.181 40 0 HKABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000005187386 557639164 /nfs/dbraw/zinc/63/91/64/557639164.db2.gz HZTXHBKYGFJITQ-MRXNPFEDSA-N 1 1 402.332 5.181 40 0 HKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215228 568442570 /nfs/dbraw/zinc/44/25/70/568442570.db2.gz SCUTXQRXFFYAIA-YGOYIFOWSA-N 1 1 415.961 5.226 40 0 HKABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000005217035 568442801 /nfs/dbraw/zinc/44/28/01/568442801.db2.gz GLHGQZPOQWRWTJ-OYDLWJJNSA-N 1 1 415.961 5.226 40 0 HKABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000005217038 568442775 /nfs/dbraw/zinc/44/27/75/568442775.db2.gz GLHGQZPOQWRWTJ-QDSKXPNFSA-N 1 1 415.961 5.226 40 0 HKABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2)C1 ZINC000005410957 291298635 /nfs/dbraw/zinc/29/86/35/291298635.db2.gz JTSGXIFKJJZMBW-PZJWPPBQSA-N 1 1 412.558 5.349 40 0 biogenic,in-vitro HKABMO O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000005439832 291298866 /nfs/dbraw/zinc/29/88/66/291298866.db2.gz MZDVZANXHUVURQ-CBRVVIGPSA-N 1 1 422.981 5.353 40 0 biogenic,in-vitro HKABMO CC[NH+](CC)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000005479605 568443759 /nfs/dbraw/zinc/44/37/59/568443759.db2.gz UGBMNACLLOMDEK-XMMPIXPASA-N 1 1 402.494 5.298 40 0 HKABMO CCc1cc([C@@H](c2ccccc2F)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005575983 569255817 /nfs/dbraw/zinc/25/58/17/569255817.db2.gz BAPANJFOHUMVON-HSZRJFAPSA-N 1 1 422.569 6.277 40 0 HKABMO CCc1cc([C@H](c2ccccc2F)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005575991 569255826 /nfs/dbraw/zinc/25/58/26/569255826.db2.gz BAPANJFOHUMVON-QHCPKHFHSA-N 1 1 422.569 6.277 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625536 560627957 /nfs/dbraw/zinc/62/79/57/560627957.db2.gz KDCAFKGUIBMJKM-UHFFFAOYSA-N 1 1 424.976 5.159 40 0 HKABMO Cc1ccc2nc(C3CC[NH+](CC(=O)N(c4ccccc4)c4ccccc4)CC3)[nH]c2c1 ZINC000005626050 560627987 /nfs/dbraw/zinc/62/79/87/560627987.db2.gz OKPHGLOVVIPOCR-UHFFFAOYSA-N 1 1 424.548 5.416 40 0 HKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000005644240 132307329 /nfs/dbraw/zinc/30/73/29/132307329.db2.gz KCIKGZJQJVZWGF-UHFFFAOYSA-N 1 1 412.748 5.041 40 0 HKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000005644261 132307333 /nfs/dbraw/zinc/30/73/33/132307333.db2.gz WFCMSHKCWDMKNV-UHFFFAOYSA-N 1 1 412.748 5.041 40 0 HKABMO CC[C@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000005824322 557676490 /nfs/dbraw/zinc/67/64/90/557676490.db2.gz IBFSIGFORJKEAJ-OLLUBJOZSA-N 1 1 402.538 5.562 40 0 HKABMO CC[NH+](CC)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000005883639 568454300 /nfs/dbraw/zinc/45/43/00/568454300.db2.gz UGBMNACLLOMDEK-DEOSSOPVSA-N 1 1 402.494 5.298 40 0 HKABMO CC[NH+](CC)c1ccc(N[C@@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000005883660 557679010 /nfs/dbraw/zinc/67/90/10/557679010.db2.gz LCMAGTCMJABXSA-RUZDIDTESA-N 1 1 418.537 5.586 40 0 HKABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000006241837 132309736 /nfs/dbraw/zinc/30/97/36/132309736.db2.gz GTXVLCJUIIOMIL-KPKJPENVSA-N 1 1 411.977 5.257 40 0 HKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000006241921 132309730 /nfs/dbraw/zinc/30/97/30/132309730.db2.gz JZIIYXKUESPWBX-UHFFFAOYSA-N 1 1 419.956 5.401 40 0 HKABMO O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000006495915 569332993 /nfs/dbraw/zinc/33/29/93/569332993.db2.gz GMNRLJPAUDTNRK-SBTPEUDISA-N 1 1 408.973 5.256 40 0 HKABMO O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000006495916 569333062 /nfs/dbraw/zinc/33/30/62/569333062.db2.gz GMNRLJPAUDTNRK-HPIWNNMISA-N 1 1 408.973 5.256 40 0 HKABMO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006553786 568936882 /nfs/dbraw/zinc/93/68/82/568936882.db2.gz XGYONAAGJOZHRO-GXBHKBKGSA-N 1 1 407.554 5.172 40 0 HKABMO CC[N@H+]1CCC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 ZINC000006594337 557709539 /nfs/dbraw/zinc/70/95/39/557709539.db2.gz GJKMOUKNSOUERC-NQYNQPTQSA-N 1 1 401.723 7.792 40 0 HKABMO CC[N@H+]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 ZINC000006594343 557709553 /nfs/dbraw/zinc/70/95/53/557709553.db2.gz GJKMOUKNSOUERC-BQSSYIGYSA-N 1 1 401.723 7.792 40 0 HKABMO CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000006629526 569334142 /nfs/dbraw/zinc/33/41/42/569334142.db2.gz RCNLUNKDVOEPBO-RCCKNPSSSA-N 1 1 411.571 5.387 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000006656216 557712259 /nfs/dbraw/zinc/71/22/59/557712259.db2.gz JZPFBQTVTHEIAT-LDLPXMKRSA-N 1 1 418.666 5.327 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000006656218 557712363 /nfs/dbraw/zinc/71/23/63/557712363.db2.gz JZPFBQTVTHEIAT-WUUJFSMWSA-N 1 1 418.666 5.327 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000006656220 557712336 /nfs/dbraw/zinc/71/23/36/557712336.db2.gz JZPFBQTVTHEIAT-MTTURAJASA-N 1 1 418.666 5.327 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000006656222 557712253 /nfs/dbraw/zinc/71/22/53/557712253.db2.gz JZPFBQTVTHEIAT-CDTXBXJGSA-N 1 1 418.666 5.327 40 0 HKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006858920 557727106 /nfs/dbraw/zinc/72/71/06/557727106.db2.gz WZNZHWNBWXLUEC-UHFFFAOYSA-N 1 1 418.544 6.503 40 0 HKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1Cl ZINC000006870233 557727713 /nfs/dbraw/zinc/72/77/13/557727713.db2.gz UKMJHPNYOCOZDT-UHFFFAOYSA-N 1 1 417.336 5.656 40 0 HKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1F ZINC000006870235 557727723 /nfs/dbraw/zinc/72/77/23/557727723.db2.gz GTHLCFYNNHMFSP-UHFFFAOYSA-N 1 1 400.881 5.142 40 0 HKABMO CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870362 568462957 /nfs/dbraw/zinc/46/29/57/568462957.db2.gz DKWOBHMCDDDEJI-UHFFFAOYSA-N 1 1 416.468 5.349 40 0 HKABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(C)C)cc1 ZINC000006870513 557727628 /nfs/dbraw/zinc/72/76/28/557727628.db2.gz VRSIESAMOUKHIU-UHFFFAOYSA-N 1 1 400.526 5.944 40 0 HKABMO CCc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870955 568462750 /nfs/dbraw/zinc/46/27/50/568462750.db2.gz AKMJPYBYFOERTA-UHFFFAOYSA-N 1 1 400.469 5.512 40 0 HKABMO CCc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870959 568462790 /nfs/dbraw/zinc/46/27/90/568462790.db2.gz UEFUKDOPSYHWKR-UHFFFAOYSA-N 1 1 410.561 6.578 40 0 HKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007274907 557738697 /nfs/dbraw/zinc/73/86/97/557738697.db2.gz RIZPCBNXEYMJBZ-UHFFFAOYSA-N 1 1 403.309 5.266 40 0 HKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1Cl ZINC000007274917 557738711 /nfs/dbraw/zinc/73/87/11/557738711.db2.gz IJRSCSUJZNDQMM-UHFFFAOYSA-N 1 1 403.309 5.266 40 0 HKABMO COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275505 568479501 /nfs/dbraw/zinc/47/95/01/568479501.db2.gz GFLZCQRVVKKSCJ-UHFFFAOYSA-N 1 1 415.331 5.120 40 0 HKABMO COc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275532 568479534 /nfs/dbraw/zinc/47/95/34/568479534.db2.gz KDYZTXUATIEPMG-UHFFFAOYSA-N 1 1 412.533 6.024 40 0 HKABMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccc(Cl)cc1Cl ZINC000007276375 557738854 /nfs/dbraw/zinc/73/88/54/557738854.db2.gz SQXYBULHDCTZBR-UHFFFAOYSA-N 1 1 403.309 5.266 40 0 HKABMO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccco2)c(Cl)c1 ZINC000007523620 557744903 /nfs/dbraw/zinc/74/49/03/557744903.db2.gz JSOQPSUVVGFHNU-UHFFFAOYSA-N 1 1 412.316 6.608 40 0 HKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccco2)cc1 ZINC000007523645 557744912 /nfs/dbraw/zinc/74/49/12/557744912.db2.gz SPOPXNLRQRMZAY-UHFFFAOYSA-N 1 1 406.707 5.564 40 0 HKABMO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccco1 ZINC000007523649 557744915 /nfs/dbraw/zinc/74/49/15/557744915.db2.gz AEMSBJFDEUCCQW-UHFFFAOYSA-N 1 1 406.707 5.564 40 0 HKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007523667 557744927 /nfs/dbraw/zinc/74/49/27/557744927.db2.gz JNCPQKOTSRHZOF-UHFFFAOYSA-N 1 1 406.309 5.854 40 0 HKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000007523671 557744909 /nfs/dbraw/zinc/74/49/09/557744909.db2.gz NJBPVHJTIZPYGK-UHFFFAOYSA-N 1 1 406.309 5.854 40 0 HKABMO CCSc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008041785 569339250 /nfs/dbraw/zinc/33/92/50/569339250.db2.gz ANGZMRGKYGDHFO-UHFFFAOYSA-N 1 1 416.590 5.346 40 0 HKABMO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@@H+](C)[C@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008241200 557777475 /nfs/dbraw/zinc/77/74/75/557777475.db2.gz GWWAUGFEXKPHIM-GGILHQEUSA-N 1 1 401.723 7.790 40 0 HKABMO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@@H+](C)[C@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000008241230 557777447 /nfs/dbraw/zinc/77/74/47/557777447.db2.gz GWWAUGFEXKPHIM-OMEWTVFHSA-N 1 1 401.723 7.790 40 0 HKABMO CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253952 557778185 /nfs/dbraw/zinc/77/81/85/557778185.db2.gz XKOLTMLKFOVXGC-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CCOc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254575 557778729 /nfs/dbraw/zinc/77/87/29/557778729.db2.gz CWAVLBFLBZAGAU-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@@H+](C)[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008298453 557780428 /nfs/dbraw/zinc/78/04/28/557780428.db2.gz GWWAUGFEXKPHIM-VQPMQMTCSA-N 1 1 401.723 7.790 40 0 HKABMO CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[N@@H+](C)[C@@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000008298476 557780387 /nfs/dbraw/zinc/78/03/87/557780387.db2.gz GWWAUGFEXKPHIM-LFTLWYAASA-N 1 1 401.723 7.790 40 0 HKABMO O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000008300317 291298644 /nfs/dbraw/zinc/29/86/44/291298644.db2.gz XRYVCGXZOGATIA-PKOBYXMFSA-N 1 1 414.480 5.020 40 0 biogenic,in-vitro HKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)Cc2ccccc2)cc1 ZINC000008412670 557787169 /nfs/dbraw/zinc/78/71/69/557787169.db2.gz JCEYTOKCXLVXSL-UHFFFAOYSA-N 1 1 404.517 6.032 40 0 HKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(C)C)cc1Cl ZINC000008412983 557787204 /nfs/dbraw/zinc/78/72/04/557787204.db2.gz SADHFAAANXOCLJ-UHFFFAOYSA-N 1 1 404.945 6.507 40 0 HKABMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)Cc2ccccc2)c1 ZINC000008415059 557787240 /nfs/dbraw/zinc/78/72/40/557787240.db2.gz XUEQTZVCQWONIX-UHFFFAOYSA-N 1 1 404.517 6.032 40 0 HKABMO O=C(CN(c1ccc(OC(F)F)cc1)C1=[NH+]CCCCC1)c1ccc(Cl)cc1 ZINC000008418630 568500602 /nfs/dbraw/zinc/50/06/02/568500602.db2.gz FXOLTOIXACIKDM-UHFFFAOYSA-N 1 1 406.860 5.603 40 0 HKABMO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000008419374 557787389 /nfs/dbraw/zinc/78/73/89/557787389.db2.gz MMUDTTGMPOMNBM-UHFFFAOYSA-N 1 1 407.728 5.911 40 0 HKABMO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccccn1 ZINC000008435784 557788845 /nfs/dbraw/zinc/78/88/45/557788845.db2.gz BBOIYFACHMKEHL-UHFFFAOYSA-N 1 1 417.734 5.366 40 0 HKABMO OCCN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000008436005 557788891 /nfs/dbraw/zinc/78/88/91/557788891.db2.gz IDJHYCQTZNFPAL-UHFFFAOYSA-N 1 1 420.516 5.086 40 0 HKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccn2)cc1 ZINC000008436754 557789193 /nfs/dbraw/zinc/78/91/93/557789193.db2.gz QFBVHRVKDSYCAJ-UHFFFAOYSA-N 1 1 417.734 5.366 40 0 HKABMO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000008436757 557789088 /nfs/dbraw/zinc/78/90/88/557789088.db2.gz KVKYRAXSRSXVHH-UHFFFAOYSA-N 1 1 407.728 5.911 40 0 HKABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccc(Cl)cc1 ZINC000008495332 557793475 /nfs/dbraw/zinc/79/34/75/557793475.db2.gz JWKXHBSKZQIIGS-UHFFFAOYSA-N 1 1 402.321 5.871 40 0 HKABMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000008495622 557793542 /nfs/dbraw/zinc/79/35/42/557793542.db2.gz HRLNMEUOXNHLFE-UHFFFAOYSA-N 1 1 402.321 5.871 40 0 HKABMO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008714165 569324098 /nfs/dbraw/zinc/32/40/98/569324098.db2.gz UYIXMJFJLXYPIV-BTYIYWSLSA-N 1 1 403.364 5.412 40 0 HKABMO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717148 560637832 /nfs/dbraw/zinc/63/78/32/560637832.db2.gz VKLFKVJTCPKFKA-PPHZAIPVSA-N 1 1 416.565 6.442 40 0 HKABMO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000009062617 569342120 /nfs/dbraw/zinc/34/21/20/569342120.db2.gz HRHJUHKCVCVCQE-UHFFFAOYSA-N 1 1 413.993 5.033 40 0 HKABMO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009062673 569342191 /nfs/dbraw/zinc/34/21/91/569342191.db2.gz STADRXGYOGJPEH-UHFFFAOYSA-N 1 1 413.993 5.033 40 0 HKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062747 560757323 /nfs/dbraw/zinc/75/73/23/560757323.db2.gz PRGNKIORBPDPNO-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062748 560757302 /nfs/dbraw/zinc/75/73/02/560757302.db2.gz PRGNKIORBPDPNO-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062749 569342291 /nfs/dbraw/zinc/34/22/91/569342291.db2.gz QUGMERHDPVAHQI-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063661 569342505 /nfs/dbraw/zinc/34/25/05/569342505.db2.gz JQQBFNRLGIXWHO-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063666 569342516 /nfs/dbraw/zinc/34/25/16/569342516.db2.gz VAPBVQUZZDMNIN-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063700 569342546 /nfs/dbraw/zinc/34/25/46/569342546.db2.gz XMRMWMKPWOTSQQ-UHFFFAOYSA-N 1 1 402.941 5.455 40 0 HKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063717 569342557 /nfs/dbraw/zinc/34/25/57/569342557.db2.gz BZBHLFRRUZSJDQ-UHFFFAOYSA-N 1 1 402.941 5.672 40 0 HKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063719 569342551 /nfs/dbraw/zinc/34/25/51/569342551.db2.gz RVBSYLORYSRFSE-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063732 569342499 /nfs/dbraw/zinc/34/24/99/569342499.db2.gz FCUQLHHNPNKVPM-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1c(Cl)cccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063733 569342527 /nfs/dbraw/zinc/34/25/27/569342527.db2.gz PKDNCWYGWPHJGT-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]12 ZINC000009328112 557837442 /nfs/dbraw/zinc/83/74/42/557837442.db2.gz FGNDTNHMDIFKKW-ISKHGZDKSA-N 1 1 418.666 5.183 40 0 HKABMO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000010231827 132345521 /nfs/dbraw/zinc/34/55/21/132345521.db2.gz KCTCRBBJAXGLMC-UHFFFAOYSA-N 1 1 423.988 5.143 40 0 HKABMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000010381989 560768557 /nfs/dbraw/zinc/76/85/57/560768557.db2.gz QHNOPUCQKNNLKR-UHFFFAOYSA-N 1 1 414.574 5.771 40 0 HKABMO COc1ccccc1-c1ocnc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000012115158 558327573 /nfs/dbraw/zinc/32/75/73/558327573.db2.gz WTOQBIQZVQGONX-UHFFFAOYSA-N 1 1 419.525 5.367 40 0 HKABMO O=c1c(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154151 558339616 /nfs/dbraw/zinc/33/96/16/558339616.db2.gz ZEXACMRBEGIMJI-QFIPXVFZSA-N 1 1 418.468 5.704 40 0 HKABMO O=c1c(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154151 558339619 /nfs/dbraw/zinc/33/96/19/558339619.db2.gz ZEXACMRBEGIMJI-QFIPXVFZSA-N 1 1 418.468 5.704 40 0 HKABMO O=c1c(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154152 558339601 /nfs/dbraw/zinc/33/96/01/558339601.db2.gz ZEXACMRBEGIMJI-JOCHJYFZSA-N 1 1 418.468 5.704 40 0 HKABMO O=c1c(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154152 558339604 /nfs/dbraw/zinc/33/96/04/558339604.db2.gz ZEXACMRBEGIMJI-JOCHJYFZSA-N 1 1 418.468 5.704 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154153 558339520 /nfs/dbraw/zinc/33/95/20/558339520.db2.gz JWOUYKNCRXCROE-DEOSSOPVSA-N 1 1 419.525 5.426 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154154 558339587 /nfs/dbraw/zinc/33/95/87/558339587.db2.gz JWOUYKNCRXCROE-XMMPIXPASA-N 1 1 419.525 5.426 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185619 558344986 /nfs/dbraw/zinc/34/49/86/558344986.db2.gz UHWMTMQQTHFRTN-DEOSSOPVSA-N 1 1 419.525 5.426 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(NC(C)=O)cc3)no2)cc1 ZINC000012185623 558344890 /nfs/dbraw/zinc/34/48/90/558344890.db2.gz UHWMTMQQTHFRTN-XMMPIXPASA-N 1 1 419.525 5.426 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccc(O)c3)no2)cc1OC ZINC000012185657 558344857 /nfs/dbraw/zinc/34/48/57/558344857.db2.gz JAMAUBIGXZGQIT-NRFANRHFSA-N 1 1 408.498 5.182 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccc(O)c3)no2)cc1OC ZINC000012185657 558344859 /nfs/dbraw/zinc/34/48/59/558344859.db2.gz JAMAUBIGXZGQIT-NRFANRHFSA-N 1 1 408.498 5.182 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccc(O)c3)no2)cc1OC ZINC000012185658 558344995 /nfs/dbraw/zinc/34/49/95/558344995.db2.gz JAMAUBIGXZGQIT-OAQYLSRUSA-N 1 1 408.498 5.182 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccc(O)c3)no2)cc1OC ZINC000012185658 558344999 /nfs/dbraw/zinc/34/49/99/558344999.db2.gz JAMAUBIGXZGQIT-OAQYLSRUSA-N 1 1 408.498 5.182 40 0 HKABMO C[N@@H+](Cc1ccccc1NC(=O)c1ncoc1-c1ccc(F)cc1)C1CCCCC1 ZINC000012326006 558383185 /nfs/dbraw/zinc/38/31/85/558383185.db2.gz FFWGPVIPAQUPSW-UHFFFAOYSA-N 1 1 407.489 5.498 40 0 HKABMO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000012651040 558443810 /nfs/dbraw/zinc/44/38/10/558443810.db2.gz ODTTVNAVWYUGKP-FQEVSTJZSA-N 1 1 407.341 5.399 40 0 HKABMO COc1ccc(CC(Cc2ccc(OC)cc2)(c2ccccc2)n2cc[nH+]c2C)cc1 ZINC000013281816 558528627 /nfs/dbraw/zinc/52/86/27/558528627.db2.gz YFWBMPMBSKJSJT-UHFFFAOYSA-N 1 1 412.533 5.438 40 0 HKABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013284059 558529128 /nfs/dbraw/zinc/52/91/28/558529128.db2.gz SUKZMYOUEROBNF-VWLOTQADSA-N 1 1 402.925 5.721 40 0 HKABMO COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000013502014 560812554 /nfs/dbraw/zinc/81/25/54/560812554.db2.gz YNKIHCKVPRVYQK-UHFFFAOYSA-N 1 1 423.900 5.293 40 0 HKABMO Cc1ccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000013547797 558538353 /nfs/dbraw/zinc/53/83/53/558538353.db2.gz BFJLZRGSMVRSDP-UHFFFAOYSA-N 1 1 416.590 5.067 40 0 HKABMO Cc1cccc2cc3c(nc12)OCC[N@H+](CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563771 560816300 /nfs/dbraw/zinc/81/63/00/560816300.db2.gz RPDXJHPDFSGTAB-UHFFFAOYSA-N 1 1 408.545 5.960 40 0 HKABMO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563771 560816301 /nfs/dbraw/zinc/81/63/01/560816301.db2.gz RPDXJHPDFSGTAB-UHFFFAOYSA-N 1 1 408.545 5.960 40 0 HKABMO Cc1ccc(C)c2nc3c(cc12)C[N@H+](CCC(c1ccccc1)c1ccccc1)CCO3 ZINC000013563782 558540742 /nfs/dbraw/zinc/54/07/42/558540742.db2.gz MAPPRMAOCIEZRJ-UHFFFAOYSA-N 1 1 422.572 6.268 40 0 HKABMO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](CCC(c1ccccc1)c1ccccc1)CCO3 ZINC000013563782 558540748 /nfs/dbraw/zinc/54/07/48/558540748.db2.gz MAPPRMAOCIEZRJ-UHFFFAOYSA-N 1 1 422.572 6.268 40 0 HKABMO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1ccc(-c2ccccc2)cc1)C3 ZINC000013563802 560816310 /nfs/dbraw/zinc/81/63/10/560816310.db2.gz CJQCKCMLNWZPTL-UHFFFAOYSA-N 1 1 408.545 5.956 40 0 HKABMO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1ccc(-c2ccccc2)cc1)C3 ZINC000013563802 560816311 /nfs/dbraw/zinc/81/63/11/560816311.db2.gz CJQCKCMLNWZPTL-UHFFFAOYSA-N 1 1 408.545 5.956 40 0 HKABMO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563805 560816294 /nfs/dbraw/zinc/81/62/94/560816294.db2.gz CQGLZWCODVEIJB-UHFFFAOYSA-N 1 1 422.572 6.268 40 0 HKABMO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563805 560816295 /nfs/dbraw/zinc/81/62/95/560816295.db2.gz CQGLZWCODVEIJB-UHFFFAOYSA-N 1 1 422.572 6.268 40 0 HKABMO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCc1ccc(-c2ccccc2)cc1)CCO3 ZINC000013563813 560816333 /nfs/dbraw/zinc/81/63/33/560816333.db2.gz WPEUKWYJQKPGMM-UHFFFAOYSA-N 1 1 408.545 5.956 40 0 HKABMO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](CCc1ccc(-c2ccccc2)cc1)CCO3 ZINC000013563813 560816334 /nfs/dbraw/zinc/81/63/34/560816334.db2.gz WPEUKWYJQKPGMM-UHFFFAOYSA-N 1 1 408.545 5.956 40 0 HKABMO CCc1ccc(C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)Cc2cccnc2)cc1 ZINC000013569099 560814189 /nfs/dbraw/zinc/81/41/89/560814189.db2.gz RHAMEHNRBRTITK-UHFFFAOYSA-N 1 1 424.592 5.708 40 0 HKABMO CCc1ccc(C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)Cc2cccnc2)cc1 ZINC000013569099 560814193 /nfs/dbraw/zinc/81/41/93/560814193.db2.gz RHAMEHNRBRTITK-UHFFFAOYSA-N 1 1 424.592 5.708 40 0 HKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccnc3ccc(Cl)cc23)cc1 ZINC000013570258 560814347 /nfs/dbraw/zinc/81/43/47/560814347.db2.gz JKVUALKOEFCNAL-UHFFFAOYSA-N 1 1 403.913 5.494 40 0 HKABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3cccc(Cl)c3n2)cc1 ZINC000013570265 560814310 /nfs/dbraw/zinc/81/43/10/560814310.db2.gz JPYJTGQNFRRYGV-UHFFFAOYSA-N 1 1 403.913 5.494 40 0 HKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3cccc(Cl)c3n2)cc1 ZINC000013570265 560814313 /nfs/dbraw/zinc/81/43/13/560814313.db2.gz JPYJTGQNFRRYGV-UHFFFAOYSA-N 1 1 403.913 5.494 40 0 HKABMO Brc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)c(Br)c1 ZINC000013730748 560827604 /nfs/dbraw/zinc/82/76/04/560827604.db2.gz AWLDUQVELOQRJS-UHFFFAOYSA-N 1 1 411.093 5.354 40 0 HKABMO Cc1ccc(CN(Cc2cn(CC[NH+](C)C)c3ccccc23)Cc2ccncc2)cc1 ZINC000013989394 560831461 /nfs/dbraw/zinc/83/14/61/560831461.db2.gz VMALAOTTWVEUNA-UHFFFAOYSA-N 1 1 412.581 5.109 40 0 HKABMO FC(F)(F)c1ccccc1C[N@H+](Cc1ccncc1)Cc1ccc2c(c1)OCO2 ZINC000013989745 560831475 /nfs/dbraw/zinc/83/14/75/560831475.db2.gz XXQJPBDSMDEZNL-UHFFFAOYSA-N 1 1 400.400 5.032 40 0 HKABMO FC(F)(F)c1ccccc1C[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)OCO2 ZINC000013989745 560831476 /nfs/dbraw/zinc/83/14/76/560831476.db2.gz XXQJPBDSMDEZNL-UHFFFAOYSA-N 1 1 400.400 5.032 40 0 HKABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013989935 560831469 /nfs/dbraw/zinc/83/14/69/560831469.db2.gz XXDJKUZOEXOJSG-UHFFFAOYSA-N 1 1 417.336 5.608 40 0 HKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013989935 560831470 /nfs/dbraw/zinc/83/14/70/560831470.db2.gz XXDJKUZOEXOJSG-UHFFFAOYSA-N 1 1 417.336 5.608 40 0 HKABMO Clc1ccc(-c2n[nH]cc2C[N@@H+](CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990205 560831452 /nfs/dbraw/zinc/83/14/52/560831452.db2.gz QRCYYBUXPMXGKQ-UHFFFAOYSA-N 1 1 402.929 5.370 40 0 HKABMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996951 560832056 /nfs/dbraw/zinc/83/20/56/560832056.db2.gz GACVFXYUDRVNOK-RPBOFIJWSA-N 1 1 419.496 5.289 40 0 HKABMO COc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013996954 560832069 /nfs/dbraw/zinc/83/20/69/560832069.db2.gz GACVFXYUDRVNOK-DQEYMECFSA-N 1 1 419.496 5.289 40 0 HKABMO COc1cccc([C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001774 560837334 /nfs/dbraw/zinc/83/73/34/560837334.db2.gz MJCIFWVHUKSYLK-NSOVKSMOSA-N 1 1 409.529 6.172 40 0 HKABMO COc1cccc([C@H]([NH2+][C@@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001781 560837295 /nfs/dbraw/zinc/83/72/95/560837295.db2.gz MJCIFWVHUKSYLK-HNRBIFIRSA-N 1 1 409.529 6.172 40 0 HKABMO COc1cccc([C@H]([NH2+][C@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001784 560837322 /nfs/dbraw/zinc/83/73/22/560837322.db2.gz MJCIFWVHUKSYLK-VSGBNLITSA-N 1 1 409.529 6.172 40 0 HKABMO CC(C)Oc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014664114 558662927 /nfs/dbraw/zinc/66/29/27/558662927.db2.gz MCYOWBKHIUQHGL-UHFFFAOYSA-N 1 1 414.549 5.021 40 0 HKABMO C[NH+](C)/C=C(/C(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1 ZINC000016163007 558775183 /nfs/dbraw/zinc/77/51/83/558775183.db2.gz YLYRNJSEKPMXLC-LHLOQNFPSA-N 1 1 408.570 6.908 40 0 HKABMO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000016194494 560859502 /nfs/dbraw/zinc/85/95/02/560859502.db2.gz CDPPETVBICRCNC-UHFFFAOYSA-N 1 1 419.544 5.163 40 0 HKABMO Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016291769 558783870 /nfs/dbraw/zinc/78/38/70/558783870.db2.gz ORVRVMQUJSWWCP-RUZDIDTESA-N 1 1 418.968 5.785 40 0 HKABMO Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016291771 558783892 /nfs/dbraw/zinc/78/38/92/558783892.db2.gz ORVRVMQUJSWWCP-VWLOTQADSA-N 1 1 418.968 5.785 40 0 HKABMO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449707 558792181 /nfs/dbraw/zinc/79/21/81/558792181.db2.gz HGQZBOHDWAUGAP-UHFFFAOYSA-N 1 1 406.740 6.516 40 0 HKABMO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]Cc2ccccc2Cl)c1 ZINC000016449717 558792248 /nfs/dbraw/zinc/79/22/48/558792248.db2.gz FHGBXCGUOPDERW-UHFFFAOYSA-N 1 1 406.740 6.516 40 0 HKABMO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000016449780 558792201 /nfs/dbraw/zinc/79/22/01/558792201.db2.gz YNESZGMIGVIIEL-UHFFFAOYSA-N 1 1 406.740 6.516 40 0 HKABMO Clc1ccccc1C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000016480573 558794061 /nfs/dbraw/zinc/79/40/61/558794061.db2.gz YLTNZFSCYOQGCP-UHFFFAOYSA-N 1 1 416.746 5.971 40 0 HKABMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768291 558806305 /nfs/dbraw/zinc/80/63/05/558806305.db2.gz CZYMRROEMBFZOF-UHFFFAOYSA-N 1 1 424.935 6.377 40 0 HKABMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016768298 558806234 /nfs/dbraw/zinc/80/62/34/558806234.db2.gz RMXAFTVEVGTSMZ-UHFFFAOYSA-N 1 1 424.935 6.377 40 0 HKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768339 558806309 /nfs/dbraw/zinc/80/63/09/558806309.db2.gz HPIJNBIDDWJLNJ-UHFFFAOYSA-N 1 1 424.470 6.564 40 0 HKABMO [NH3+][C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000016920115 558809180 /nfs/dbraw/zinc/80/91/80/558809180.db2.gz NDLKVNXPSRMINB-MRVPVSSYSA-N 1 1 413.515 5.429 40 0 HKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000017083291 560862358 /nfs/dbraw/zinc/86/23/58/560862358.db2.gz XNPKAXOTAPRIRM-UHFFFAOYSA-N 1 1 405.929 5.011 40 0 HKABMO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017092045 560866752 /nfs/dbraw/zinc/86/67/52/560866752.db2.gz GMBBJDNVMVYXJH-UHFFFAOYSA-N 1 1 419.956 5.223 40 0 HKABMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000017092047 560866706 /nfs/dbraw/zinc/86/67/06/560866706.db2.gz QOXBEOOPBFGBEN-UHFFFAOYSA-N 1 1 419.956 5.223 40 0 HKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000017093726 560868339 /nfs/dbraw/zinc/86/83/39/560868339.db2.gz RNKBCANUYSBKOD-UHFFFAOYSA-N 1 1 423.919 5.054 40 0 HKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000017094115 560868589 /nfs/dbraw/zinc/86/85/89/560868589.db2.gz QVLILUDIUJCAOU-XVNBXDOJSA-N 1 1 424.759 5.051 40 0 HKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014374 569345169 /nfs/dbraw/zinc/34/51/69/569345169.db2.gz LBQAWOAUZJZLPY-JKXNYQSWSA-N 1 1 405.586 5.101 40 0 HKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014376 569345217 /nfs/dbraw/zinc/34/52/17/569345217.db2.gz LBQAWOAUZJZLPY-OPZIHHCNSA-N 1 1 405.586 5.101 40 0 HKABMO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020970 558837785 /nfs/dbraw/zinc/83/77/85/558837785.db2.gz SSOHCRQAKSQKQF-GGAORHGYSA-N 1 1 423.557 5.039 40 0 HKABMO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020972 558837720 /nfs/dbraw/zinc/83/77/20/558837720.db2.gz SSOHCRQAKSQKQF-FYYLOGMGSA-N 1 1 423.557 5.039 40 0 HKABMO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020975 558837790 /nfs/dbraw/zinc/83/77/90/558837790.db2.gz SSOHCRQAKSQKQF-GMAHTHKFSA-N 1 1 423.557 5.039 40 0 HKABMO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020978 558837714 /nfs/dbraw/zinc/83/77/14/558837714.db2.gz SSOHCRQAKSQKQF-JTHBVZDNSA-N 1 1 423.557 5.039 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023015 558838139 /nfs/dbraw/zinc/83/81/39/558838139.db2.gz WHHBJKIMDJSRCF-QHCPKHFHSA-N 1 1 424.497 5.124 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(COC(C)=O)o3)on2)cc1 ZINC000019023018 558838187 /nfs/dbraw/zinc/83/81/87/558838187.db2.gz WHHBJKIMDJSRCF-HSZRJFAPSA-N 1 1 424.497 5.124 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023021 558838208 /nfs/dbraw/zinc/83/82/08/558838208.db2.gz CFGYIASOKKSNEX-QHCPKHFHSA-N 1 1 424.497 5.124 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023021 558838210 /nfs/dbraw/zinc/83/82/10/558838210.db2.gz CFGYIASOKKSNEX-QHCPKHFHSA-N 1 1 424.497 5.124 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023024 558838237 /nfs/dbraw/zinc/83/82/37/558838237.db2.gz CFGYIASOKKSNEX-HSZRJFAPSA-N 1 1 424.497 5.124 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023024 558838239 /nfs/dbraw/zinc/83/82/39/558838239.db2.gz CFGYIASOKKSNEX-HSZRJFAPSA-N 1 1 424.497 5.124 40 0 HKABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019081617 558839814 /nfs/dbraw/zinc/83/98/14/558839814.db2.gz MJGCWVKOPPVTBQ-NJDAHSKKSA-N 1 1 417.018 5.264 40 0 HKABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000019081627 558839731 /nfs/dbraw/zinc/83/97/31/558839731.db2.gz PWTYQEPNHPXBCJ-NJDAHSKKSA-N 1 1 417.018 5.264 40 0 HKABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000019081648 558839791 /nfs/dbraw/zinc/83/97/91/558839791.db2.gz LJPNMTHROHCWBX-SFHLNBCPSA-N 1 1 417.018 5.264 40 0 HKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081737 558839809 /nfs/dbraw/zinc/83/98/09/558839809.db2.gz YSGHOMVLHJUMCA-UNMCSNQZSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081739 558839756 /nfs/dbraw/zinc/83/97/56/558839756.db2.gz YSGHOMVLHJUMCA-RBBKRZOGSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081741 558839765 /nfs/dbraw/zinc/83/97/65/558839765.db2.gz YSGHOMVLHJUMCA-IRLDBZIGSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081743 558839855 /nfs/dbraw/zinc/83/98/55/558839855.db2.gz YSGHOMVLHJUMCA-IFMALSPDSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081754 558839771 /nfs/dbraw/zinc/83/97/71/558839771.db2.gz JIRXMUSMNLRCSB-UGKGYDQZSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081756 558839780 /nfs/dbraw/zinc/83/97/80/558839780.db2.gz JIRXMUSMNLRCSB-SIKLNZKXSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081758 558839742 /nfs/dbraw/zinc/83/97/42/558839742.db2.gz JIRXMUSMNLRCSB-KNQAVFIVSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccccc1Cl)c1ccccn1 ZINC000019081760 558839864 /nfs/dbraw/zinc/83/98/64/558839864.db2.gz JIRXMUSMNLRCSB-DENIHFKCSA-N 1 1 413.993 5.383 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082732 558840256 /nfs/dbraw/zinc/84/02/56/558840256.db2.gz UEFCZRUOQRMROD-UPVQGACJSA-N 1 1 407.602 5.162 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082735 558840331 /nfs/dbraw/zinc/84/03/31/558840331.db2.gz UEFCZRUOQRMROD-LADGPHEKSA-N 1 1 407.602 5.162 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082738 558840307 /nfs/dbraw/zinc/84/03/07/558840307.db2.gz UEFCZRUOQRMROD-VWNXMTODSA-N 1 1 407.602 5.162 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019082740 558840288 /nfs/dbraw/zinc/84/02/88/558840288.db2.gz UEFCZRUOQRMROD-ISKFKSNPSA-N 1 1 407.602 5.162 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082742 558840271 /nfs/dbraw/zinc/84/02/71/558840271.db2.gz ODYBYPRJPOGVQB-GMAHTHKFSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082744 558840281 /nfs/dbraw/zinc/84/02/81/558840281.db2.gz ODYBYPRJPOGVQB-JTHBVZDNSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082746 558840266 /nfs/dbraw/zinc/84/02/66/558840266.db2.gz ODYBYPRJPOGVQB-GGAORHGYSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082749 558840276 /nfs/dbraw/zinc/84/02/76/558840276.db2.gz ODYBYPRJPOGVQB-FYYLOGMGSA-N 1 1 411.565 5.259 40 0 HKABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082752 558840334 /nfs/dbraw/zinc/84/03/34/558840334.db2.gz LZRSCGNUDVLUTL-ZJSXRUAMSA-N 1 1 423.601 5.129 40 0 HKABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082754 558840294 /nfs/dbraw/zinc/84/02/94/558840294.db2.gz LZRSCGNUDVLUTL-XUZZJYLKSA-N 1 1 423.601 5.129 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082756 558840321 /nfs/dbraw/zinc/84/03/21/558840321.db2.gz KTUJFLCRFLYJLH-GMAHTHKFSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082758 558840260 /nfs/dbraw/zinc/84/02/60/558840260.db2.gz KTUJFLCRFLYJLH-JTHBVZDNSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082760 558840310 /nfs/dbraw/zinc/84/03/10/558840310.db2.gz KTUJFLCRFLYJLH-GGAORHGYSA-N 1 1 411.565 5.259 40 0 HKABMO CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019082763 558840443 /nfs/dbraw/zinc/84/04/43/558840443.db2.gz KTUJFLCRFLYJLH-FYYLOGMGSA-N 1 1 411.565 5.259 40 0 HKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120463 558842857 /nfs/dbraw/zinc/84/28/57/558842857.db2.gz ZAVZTDVJNABFCB-FDDCHVKYSA-N 1 1 413.924 5.584 40 0 HKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120463 558842860 /nfs/dbraw/zinc/84/28/60/558842860.db2.gz ZAVZTDVJNABFCB-FDDCHVKYSA-N 1 1 413.924 5.584 40 0 HKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(F)c2)on1 ZINC000019120475 558842907 /nfs/dbraw/zinc/84/29/07/558842907.db2.gz LIQNIVAUFCRLFO-WMZHIEFXSA-N 1 1 413.924 5.584 40 0 HKABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2ccncc2)Cc2cccc(OC(C)C)c2)on1 ZINC000019120487 558842839 /nfs/dbraw/zinc/84/28/39/558842839.db2.gz NIRTUPBBAKHPFU-JYFHCDHNSA-N 1 1 419.569 5.579 40 0 HKABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(F)cc2)Cc2cccc(Cl)c2)on1 ZINC000019120621 558843103 /nfs/dbraw/zinc/84/31/03/558843103.db2.gz WHEXPWXIUYGSDW-AUSIDOKSSA-N 1 1 414.908 5.035 40 0 HKABMO COc1ccc(C[N@@H+](Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C ZINC000019120691 558843062 /nfs/dbraw/zinc/84/30/62/558843062.db2.gz ACAYUQQEWXSDTB-RDGATRHJSA-N 1 1 419.569 5.417 40 0 HKABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133435 558845769 /nfs/dbraw/zinc/84/57/69/558845769.db2.gz SKLNZDQZGONJHJ-OAHLLOKOSA-N 1 1 401.457 5.165 40 0 HKABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133439 558845816 /nfs/dbraw/zinc/84/58/16/558845816.db2.gz SKLNZDQZGONJHJ-HNNXBMFYSA-N 1 1 401.457 5.165 40 0 HKABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019210351 558848245 /nfs/dbraw/zinc/84/82/45/558848245.db2.gz CXBLWKGQZGTVHP-HJOGWXRNSA-N 1 1 408.611 5.063 40 0 HKABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213467 558849362 /nfs/dbraw/zinc/84/93/62/558849362.db2.gz URXYHQPENJSIRJ-HXUWFJFHSA-N 1 1 423.582 5.566 40 0 HKABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213470 558849350 /nfs/dbraw/zinc/84/93/50/558849350.db2.gz URXYHQPENJSIRJ-FQEVSTJZSA-N 1 1 423.582 5.566 40 0 HKABMO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cnc(-c3ccccc3C)nc2)nc1 ZINC000019215636 558850031 /nfs/dbraw/zinc/85/00/31/558850031.db2.gz YMMOJOBTNNVJHS-HSZRJFAPSA-N 1 1 400.551 5.291 40 0 HKABMO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cnc(-c3ccccc3C)nc2)nc1 ZINC000019215638 558850101 /nfs/dbraw/zinc/85/01/01/558850101.db2.gz YMMOJOBTNNVJHS-QHCPKHFHSA-N 1 1 400.551 5.291 40 0 HKABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019235064 558854202 /nfs/dbraw/zinc/85/42/02/558854202.db2.gz JHBSMOPRBZNBBM-HJOGWXRNSA-N 1 1 408.611 5.063 40 0 HKABMO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019235245 558854387 /nfs/dbraw/zinc/85/43/87/558854387.db2.gz FGKXJIWJOZRPKU-WXFUMESZSA-N 1 1 408.611 5.063 40 0 HKABMO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019235249 558854337 /nfs/dbraw/zinc/85/43/37/558854337.db2.gz KUPAFPQWHBQZHQ-WXFUMESZSA-N 1 1 408.611 5.063 40 0 HKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235966 558854993 /nfs/dbraw/zinc/85/49/93/558854993.db2.gz DTCHWHGNGDMTSV-OAHLLOKOSA-N 1 1 401.457 5.165 40 0 HKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235967 558855107 /nfs/dbraw/zinc/85/51/07/558855107.db2.gz DTCHWHGNGDMTSV-HNNXBMFYSA-N 1 1 401.457 5.165 40 0 HKABMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236213 558855368 /nfs/dbraw/zinc/85/53/68/558855368.db2.gz DLRCOHYZKZSFFR-OAHLLOKOSA-N 1 1 418.463 5.448 40 0 HKABMO Cc1cccc(C[N@@H+]2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236214 558855315 /nfs/dbraw/zinc/85/53/15/558855315.db2.gz DLRCOHYZKZSFFR-HNNXBMFYSA-N 1 1 418.463 5.448 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)no2)cc1OC ZINC000019236256 558855468 /nfs/dbraw/zinc/85/54/68/558855468.db2.gz AMJAHYPYXMLSLZ-NRFANRHFSA-N 1 1 407.514 5.180 40 0 HKABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccc(C)n3)no2)cc1OC ZINC000019236256 558855470 /nfs/dbraw/zinc/85/54/70/558855470.db2.gz AMJAHYPYXMLSLZ-NRFANRHFSA-N 1 1 407.514 5.180 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccc(C)n3)no2)cc1OC ZINC000019236257 558855462 /nfs/dbraw/zinc/85/54/62/558855462.db2.gz AMJAHYPYXMLSLZ-OAQYLSRUSA-N 1 1 407.514 5.180 40 0 HKABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccc(C)n3)no2)cc1OC ZINC000019236257 558855464 /nfs/dbraw/zinc/85/54/64/558855464.db2.gz AMJAHYPYXMLSLZ-OAQYLSRUSA-N 1 1 407.514 5.180 40 0 HKABMO Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 ZINC000019237253 558856438 /nfs/dbraw/zinc/85/64/38/558856438.db2.gz DLVOBUHHMWZBEH-HJOGWXRNSA-N 1 1 408.611 5.063 40 0 HKABMO Cc1ccccc1-c1ncc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)cn1 ZINC000019237562 558856831 /nfs/dbraw/zinc/85/68/31/558856831.db2.gz VGOSKULJDSMIHM-QFIPXVFZSA-N 1 1 400.551 5.291 40 0 HKABMO Cc1ccccc1-c1ncc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)cn1 ZINC000019237563 558856758 /nfs/dbraw/zinc/85/67/58/558856758.db2.gz VGOSKULJDSMIHM-JOCHJYFZSA-N 1 1 400.551 5.291 40 0 HKABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019240106 558858732 /nfs/dbraw/zinc/85/87/32/558858732.db2.gz HJAWLDKVUCKHEA-AZUAARDMSA-N 1 1 414.596 5.144 40 0 HKABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019240107 558858642 /nfs/dbraw/zinc/85/86/42/558858642.db2.gz HJAWLDKVUCKHEA-ICSRJNTNSA-N 1 1 414.596 5.144 40 0 HKABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019240108 558858657 /nfs/dbraw/zinc/85/86/57/558858657.db2.gz HJAWLDKVUCKHEA-UYAOXDASSA-N 1 1 414.596 5.144 40 0 HKABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019240109 558858726 /nfs/dbraw/zinc/85/87/26/558858726.db2.gz HJAWLDKVUCKHEA-QUCCMNQESA-N 1 1 414.596 5.144 40 0 HKABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccccc2OCc2ccccn2)n1 ZINC000019240110 558858670 /nfs/dbraw/zinc/85/86/70/558858670.db2.gz LGCORBNVLOKJPO-OAQYLSRUSA-N 1 1 421.591 5.561 40 0 HKABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccccc2OCc2ccccn2)n1 ZINC000019240111 558858772 /nfs/dbraw/zinc/85/87/72/558858772.db2.gz LGCORBNVLOKJPO-NRFANRHFSA-N 1 1 421.591 5.561 40 0 HKABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019240221 558858800 /nfs/dbraw/zinc/85/88/00/558858800.db2.gz FJLIGOWFJKBGIO-FQEVSTJZSA-N 1 1 408.596 5.201 40 0 HKABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019240222 558858828 /nfs/dbraw/zinc/85/88/28/558858828.db2.gz FJLIGOWFJKBGIO-HXUWFJFHSA-N 1 1 408.596 5.201 40 0 HKABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293420 558865173 /nfs/dbraw/zinc/86/51/73/558865173.db2.gz JIEPCZMWFHNYKV-FKBYEOEOSA-N 1 1 415.002 5.018 40 0 HKABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]21 ZINC000019332147 558868736 /nfs/dbraw/zinc/86/87/36/558868736.db2.gz PNNRFJROXILTFY-VABKMULXSA-N 1 1 412.574 5.150 40 0 HKABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334346 558869410 /nfs/dbraw/zinc/86/94/10/558869410.db2.gz XNEHZCJKCRBFKC-FKBYEOEOSA-N 1 1 415.002 5.018 40 0 HKABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343537 558872473 /nfs/dbraw/zinc/87/24/73/558872473.db2.gz PPSJYOXWHDFJBR-YPAWHYETSA-N 1 1 414.640 5.206 40 0 HKABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](C3CCCCC3)CC[C@H]21 ZINC000019347720 558874048 /nfs/dbraw/zinc/87/40/48/558874048.db2.gz MHUGXOPZZCWBDU-MQSCRBSSSA-N 1 1 412.574 5.150 40 0 HKABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349217 558874826 /nfs/dbraw/zinc/87/48/26/558874826.db2.gz PWHSVDKMDIYDPZ-ONTIZHBOSA-N 1 1 415.002 5.018 40 0 HKABMO Oc1ccc(/C=C/C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000019359772 558876131 /nfs/dbraw/zinc/87/61/31/558876131.db2.gz BORXUYRMIOAMIE-OWOJBTEDSA-N 1 1 420.503 5.091 40 0 in-vitro HKABMO C[NH+]1CCN(CCS[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019365317 558876819 /nfs/dbraw/zinc/87/68/19/558876819.db2.gz JZTQXLGXJLBLFI-NRFANRHFSA-N 1 1 405.032 5.069 40 0 HKABMO CC[NH+](CC)CCN[C@@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000019366356 558876955 /nfs/dbraw/zinc/87/69/55/558876955.db2.gz ZPOYFNXJMYZMJI-MHZLTWQESA-N 1 1 402.582 5.481 40 0 HKABMO C[NH+]1CCN(CCSC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019366466 558877111 /nfs/dbraw/zinc/87/71/11/558877111.db2.gz MDUPRNHWFVJKTI-UHFFFAOYSA-N 1 1 420.003 5.043 40 0 HKABMO Fc1cccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2ccccc2F)c1 ZINC000019368470 558877496 /nfs/dbraw/zinc/87/74/96/558877496.db2.gz WIMWHZVKCVLDLS-UHFFFAOYSA-N 1 1 406.480 5.045 40 0 HKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019369001 558877714 /nfs/dbraw/zinc/87/77/14/558877714.db2.gz UYZBJXQZRJZFTA-HJOGWXRNSA-N 1 1 420.553 5.018 40 0 HKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019369007 558877693 /nfs/dbraw/zinc/87/76/93/558877693.db2.gz RYASUXVFHZSHFE-HJOGWXRNSA-N 1 1 420.553 5.018 40 0 HKABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019369014 558877675 /nfs/dbraw/zinc/87/76/75/558877675.db2.gz KLRLOCLRUIAYJP-FIXSFTCYSA-N 1 1 420.553 5.018 40 0 HKABMO c1ccc([C@H]2C[N@@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 ZINC000019371065 558878974 /nfs/dbraw/zinc/87/89/74/558878974.db2.gz KAYYXDPIMIYMRS-MUUNZHRXSA-N 1 1 404.557 5.625 40 0 HKABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000019372262 558879460 /nfs/dbraw/zinc/87/94/60/558879460.db2.gz NJIGMYUJIHFUIC-WXFUMESZSA-N 1 1 408.611 5.145 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000019373142 558880371 /nfs/dbraw/zinc/88/03/71/558880371.db2.gz CJWSCPLFTVZMED-OAQYLSRUSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000019373144 558880398 /nfs/dbraw/zinc/88/03/98/558880398.db2.gz CJWSCPLFTVZMED-NRFANRHFSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373145 558880403 /nfs/dbraw/zinc/88/04/03/558880403.db2.gz BWRFYSVINZBTPI-JOCHJYFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373147 558880389 /nfs/dbraw/zinc/88/03/89/558880389.db2.gz BWRFYSVINZBTPI-QFIPXVFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373148 558880352 /nfs/dbraw/zinc/88/03/52/558880352.db2.gz LIZHTANQAKYFBC-JOCHJYFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000019373149 558880329 /nfs/dbraw/zinc/88/03/29/558880329.db2.gz LIZHTANQAKYFBC-QFIPXVFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373150 558880380 /nfs/dbraw/zinc/88/03/80/558880380.db2.gz JYWGJMUIFKBZSO-JOCHJYFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373152 558880303 /nfs/dbraw/zinc/88/03/03/558880303.db2.gz JYWGJMUIFKBZSO-QFIPXVFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373153 558880364 /nfs/dbraw/zinc/88/03/64/558880364.db2.gz CHPNPWVDFCNBEL-JOCHJYFZSA-N 1 1 422.536 5.057 40 0 HKABMO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000019373154 558880336 /nfs/dbraw/zinc/88/03/36/558880336.db2.gz CHPNPWVDFCNBEL-QFIPXVFZSA-N 1 1 422.536 5.057 40 0 HKABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000019376384 558882388 /nfs/dbraw/zinc/88/23/88/558882388.db2.gz SGCQNTCXTHVIKX-SDHOMARFSA-N 1 1 416.590 5.128 40 0 HKABMO c1ccc2c(c1)ccnc2-c1nnc([C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)o1 ZINC000019376491 558882512 /nfs/dbraw/zinc/88/25/12/558882512.db2.gz DCQPLEQMEXRANA-QFIPXVFZSA-N 1 1 407.477 5.170 40 0 HKABMO c1ccc2c(c1)ccnc2-c1nnc([C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)o1 ZINC000019376492 558882498 /nfs/dbraw/zinc/88/24/98/558882498.db2.gz DCQPLEQMEXRANA-JOCHJYFZSA-N 1 1 407.477 5.170 40 0 HKABMO O=C(N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400909 558883308 /nfs/dbraw/zinc/88/33/08/558883308.db2.gz RJASJPPNRNWZKT-FYYLOGMGSA-N 1 1 411.977 5.137 40 0 HKABMO O=C(N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400912 558883536 /nfs/dbraw/zinc/88/35/36/558883536.db2.gz RJASJPPNRNWZKT-JTHBVZDNSA-N 1 1 411.977 5.137 40 0 HKABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019406536 558885122 /nfs/dbraw/zinc/88/51/22/558885122.db2.gz FRXXBVSWBAYIIV-YPAWHYETSA-N 1 1 414.640 5.206 40 0 HKABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406589 558885115 /nfs/dbraw/zinc/88/51/15/558885115.db2.gz UICGTOSCFCWRLB-VABKMULXSA-N 1 1 400.632 5.135 40 0 HKABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](C3CCCCC3)CC[C@H]21 ZINC000019406601 558885108 /nfs/dbraw/zinc/88/51/08/558885108.db2.gz FHRDERBBCAPLFQ-DNVJHFABSA-N 1 1 400.632 5.277 40 0 HKABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019452097 558889948 /nfs/dbraw/zinc/88/99/48/558889948.db2.gz FVEFVCBDSWTJLG-OAHLLOKOSA-N 1 1 404.436 5.140 40 0 HKABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019452099 558889939 /nfs/dbraw/zinc/88/99/39/558889939.db2.gz FVEFVCBDSWTJLG-HNNXBMFYSA-N 1 1 404.436 5.140 40 0 HKABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019452105 558889903 /nfs/dbraw/zinc/88/99/03/558889903.db2.gz PNFFCBBEVJRILX-OAHLLOKOSA-N 1 1 404.436 5.140 40 0 HKABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019452107 558890113 /nfs/dbraw/zinc/89/01/13/558890113.db2.gz PNFFCBBEVJRILX-HNNXBMFYSA-N 1 1 404.436 5.140 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019453276 558890830 /nfs/dbraw/zinc/89/08/30/558890830.db2.gz KGMJDOJQEIYTKT-HJOGWXRNSA-N 1 1 408.611 5.098 40 0 HKABMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000019454739 558891460 /nfs/dbraw/zinc/89/14/60/558891460.db2.gz MRWDAWIHLVNEFA-UHFFFAOYSA-N 1 1 417.475 5.120 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000019455654 569345416 /nfs/dbraw/zinc/34/54/16/569345416.db2.gz PLPUHLFQJZSMBX-KIFXHHALSA-N 1 1 407.602 5.191 40 0 HKABMO COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019456731 558892030 /nfs/dbraw/zinc/89/20/30/558892030.db2.gz YCOANWSXIOOPPL-NLSFWIRASA-N 1 1 418.537 5.229 40 0 HKABMO COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019456733 558892009 /nfs/dbraw/zinc/89/20/09/558892009.db2.gz YCOANWSXIOOPPL-JJEOQYAHSA-N 1 1 418.537 5.229 40 0 HKABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496756 558895710 /nfs/dbraw/zinc/89/57/10/558895710.db2.gz RHVZPOJLKWDWQJ-JOCHJYFZSA-N 1 1 417.553 5.080 40 0 HKABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496757 558895589 /nfs/dbraw/zinc/89/55/89/558895589.db2.gz RHVZPOJLKWDWQJ-QFIPXVFZSA-N 1 1 417.553 5.080 40 0 HKABMO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523958 558905129 /nfs/dbraw/zinc/90/51/29/558905129.db2.gz HSIFCSJTMGZOSV-OAQYLSRUSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523958 558905132 /nfs/dbraw/zinc/90/51/32/558905132.db2.gz HSIFCSJTMGZOSV-OAQYLSRUSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523959 558905296 /nfs/dbraw/zinc/90/52/96/558905296.db2.gz HSIFCSJTMGZOSV-NRFANRHFSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523959 558905300 /nfs/dbraw/zinc/90/53/00/558905300.db2.gz HSIFCSJTMGZOSV-NRFANRHFSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524550 558905677 /nfs/dbraw/zinc/90/56/77/558905677.db2.gz SZUNTWYHWJYKFG-OAQYLSRUSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524550 558905680 /nfs/dbraw/zinc/90/56/80/558905680.db2.gz SZUNTWYHWJYKFG-OAQYLSRUSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524551 558905705 /nfs/dbraw/zinc/90/57/05/558905705.db2.gz SZUNTWYHWJYKFG-NRFANRHFSA-N 1 1 424.545 5.001 40 0 HKABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524551 558905709 /nfs/dbraw/zinc/90/57/09/558905709.db2.gz SZUNTWYHWJYKFG-NRFANRHFSA-N 1 1 424.545 5.001 40 0 HKABMO CCCc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 ZINC000019525484 558906651 /nfs/dbraw/zinc/90/66/51/558906651.db2.gz WARRWPTZPNFPTQ-GBXCKJPGSA-N 1 1 409.599 5.806 40 0 HKABMO CCOc1cc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC ZINC000019532149 558912352 /nfs/dbraw/zinc/91/23/52/558912352.db2.gz IYDSPBNVEWHUIG-SFHVURJKSA-N 1 1 402.585 5.302 40 0 HKABMO CCOc1cc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC ZINC000019532151 558912339 /nfs/dbraw/zinc/91/23/39/558912339.db2.gz IYDSPBNVEWHUIG-GOSISDBHSA-N 1 1 402.585 5.302 40 0 HKABMO CCOc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533175 558912995 /nfs/dbraw/zinc/91/29/95/558912995.db2.gz SHMXDPWBQJFYIE-WIOPSUGQSA-N 1 1 405.542 5.190 40 0 HKABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533258 558913050 /nfs/dbraw/zinc/91/30/50/558913050.db2.gz VLUUFMZXERLAPA-XMMPIXPASA-N 1 1 402.542 5.281 40 0 HKABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533260 558912983 /nfs/dbraw/zinc/91/29/83/558912983.db2.gz VLUUFMZXERLAPA-DEOSSOPVSA-N 1 1 402.542 5.281 40 0 HKABMO CCOc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019533951 558913553 /nfs/dbraw/zinc/91/35/53/558913553.db2.gz GOMZAZIQFYIVGL-SFHVURJKSA-N 1 1 402.585 5.302 40 0 HKABMO CCOc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019533953 558913549 /nfs/dbraw/zinc/91/35/49/558913549.db2.gz GOMZAZIQFYIVGL-GOSISDBHSA-N 1 1 402.585 5.302 40 0 HKABMO COc1cc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 ZINC000019550135 558914942 /nfs/dbraw/zinc/91/49/42/558914942.db2.gz YCCGSBUFQQWRQM-IBGZPJMESA-N 1 1 414.596 5.608 40 0 HKABMO COc1cc(C[NH2+][C@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 ZINC000019550137 558915009 /nfs/dbraw/zinc/91/50/09/558915009.db2.gz YCCGSBUFQQWRQM-LJQANCHMSA-N 1 1 414.596 5.608 40 0 HKABMO COc1ccc(C[N@@H+](Cc2ccccc2OC)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554765 558917698 /nfs/dbraw/zinc/91/76/98/558917698.db2.gz GHSQOSFQMQGXBN-LOSJGSFVSA-N 1 1 421.512 5.028 40 0 HKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000019555614 558918399 /nfs/dbraw/zinc/91/83/99/558918399.db2.gz NJZAQCPKCKASNA-UHFFFAOYSA-N 1 1 406.486 5.063 40 0 HKABMO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCCC3=O)cc2)sc1C ZINC000019559876 558921167 /nfs/dbraw/zinc/92/11/67/558921167.db2.gz QMVPGGXWAZSFOV-HXUWFJFHSA-N 1 1 411.596 5.022 40 0 HKABMO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCCC3=O)cc2)sc1C ZINC000019559879 558921140 /nfs/dbraw/zinc/92/11/40/558921140.db2.gz QMVPGGXWAZSFOV-FQEVSTJZSA-N 1 1 411.596 5.022 40 0 HKABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562752 558923285 /nfs/dbraw/zinc/92/32/85/558923285.db2.gz ZGAVAUMTAYCMGW-CYBMUJFWSA-N 1 1 409.342 5.188 40 0 HKABMO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000019562755 558923386 /nfs/dbraw/zinc/92/33/86/558923386.db2.gz ZGAVAUMTAYCMGW-ZDUSSCGKSA-N 1 1 409.342 5.188 40 0 HKABMO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000019563182 558923552 /nfs/dbraw/zinc/92/35/52/558923552.db2.gz OMCNQUNJWREYTC-UHFFFAOYSA-N 1 1 409.342 5.188 40 0 HKABMO COc1ccc(CC[N@@H+](Cc2[nH]c3ccccc3c2C)Cc2ccncc2)cc1OC ZINC000019565867 558925712 /nfs/dbraw/zinc/92/57/12/558925712.db2.gz JFQFSIJVLCIEFX-UHFFFAOYSA-N 1 1 415.537 5.133 40 0 HKABMO COc1ccccc1-c1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019571692 558930117 /nfs/dbraw/zinc/93/01/17/558930117.db2.gz KJKLBWMTSHFBBI-NRFANRHFSA-N 1 1 406.576 5.954 40 0 HKABMO COc1ccccc1-c1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019571696 558930123 /nfs/dbraw/zinc/93/01/23/558930123.db2.gz KJKLBWMTSHFBBI-OAQYLSRUSA-N 1 1 406.576 5.954 40 0 HKABMO COc1ccc(C[N@H+](Cc2c(C)oc3ccccc32)Cc2ccncc2)c(OC)c1 ZINC000019581943 558937136 /nfs/dbraw/zinc/93/71/36/558937136.db2.gz WCLNCNAPYUJXSV-UHFFFAOYSA-N 1 1 402.494 5.356 40 0 HKABMO COc1ccc(C[N@@H+](Cc2c(C)oc3ccccc32)Cc2ccncc2)c(OC)c1 ZINC000019581943 558937138 /nfs/dbraw/zinc/93/71/38/558937138.db2.gz WCLNCNAPYUJXSV-UHFFFAOYSA-N 1 1 402.494 5.356 40 0 HKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+]3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687273 568825890 /nfs/dbraw/zinc/82/58/90/568825890.db2.gz IMHOEUSTZYAVSX-MHZLTWQESA-N 1 1 409.533 5.566 40 0 HKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@H+]3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687275 569428414 /nfs/dbraw/zinc/42/84/14/569428414.db2.gz IMHOEUSTZYAVSX-HHHXNRCGSA-N 1 1 409.533 5.566 40 0 HKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+]3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688532 558957974 /nfs/dbraw/zinc/95/79/74/558957974.db2.gz XDFCVRFQUAKTOQ-SANMLTNESA-N 1 1 418.585 5.412 40 0 HKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@H+]3Cc3c(C)nn(C(C)C)c3C)nc2)c1 ZINC000019688534 558957888 /nfs/dbraw/zinc/95/78/88/558957888.db2.gz XDFCVRFQUAKTOQ-AREMUKBSSA-N 1 1 418.585 5.412 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688536 558957953 /nfs/dbraw/zinc/95/79/53/558957953.db2.gz YMOPDNMPOPXVMT-RUZDIDTESA-N 1 1 406.549 5.543 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688538 558958065 /nfs/dbraw/zinc/95/80/65/558958065.db2.gz YMOPDNMPOPXVMT-VWLOTQADSA-N 1 1 406.549 5.543 40 0 HKABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019689523 569428438 /nfs/dbraw/zinc/42/84/38/569428438.db2.gz FUCFSAHOIUZVSH-DEOSSOPVSA-N 1 1 409.537 5.095 40 0 HKABMO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000019689525 569428411 /nfs/dbraw/zinc/42/84/11/569428411.db2.gz FUCFSAHOIUZVSH-XMMPIXPASA-N 1 1 409.537 5.095 40 0 HKABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690788 558960028 /nfs/dbraw/zinc/96/00/28/558960028.db2.gz JMQXYXIXNAOWLQ-XMMPIXPASA-N 1 1 420.557 5.051 40 0 HKABMO COCc1cc(C[N@H+]2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690789 558960037 /nfs/dbraw/zinc/96/00/37/558960037.db2.gz JMQXYXIXNAOWLQ-DEOSSOPVSA-N 1 1 420.557 5.051 40 0 HKABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019691884 558961177 /nfs/dbraw/zinc/96/11/77/558961177.db2.gz ZQVCDIKNZVFFNV-UHFFFAOYSA-N 1 1 414.475 5.102 40 0 HKABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691909 558961365 /nfs/dbraw/zinc/96/13/65/558961365.db2.gz CMLGGXXZOPGTNM-AREMUKBSSA-N 1 1 416.565 5.209 40 0 HKABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO ZINC000019691910 558961504 /nfs/dbraw/zinc/96/15/04/558961504.db2.gz CMLGGXXZOPGTNM-SANMLTNESA-N 1 1 416.565 5.209 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691915 558961452 /nfs/dbraw/zinc/96/14/52/558961452.db2.gz ZPIAYXTYJZOSPK-AREMUKBSSA-N 1 1 420.576 5.851 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019691916 558961441 /nfs/dbraw/zinc/96/14/41/558961441.db2.gz ZPIAYXTYJZOSPK-SANMLTNESA-N 1 1 420.576 5.851 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691984 558961473 /nfs/dbraw/zinc/96/14/73/558961473.db2.gz SGNQONKIVVCZBX-QFIPXVFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691984 558961475 /nfs/dbraw/zinc/96/14/75/558961475.db2.gz SGNQONKIVVCZBX-QFIPXVFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691985 558961357 /nfs/dbraw/zinc/96/13/57/558961357.db2.gz SGNQONKIVVCZBX-JOCHJYFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691985 558961359 /nfs/dbraw/zinc/96/13/59/558961359.db2.gz SGNQONKIVVCZBX-JOCHJYFZSA-N 1 1 414.475 5.070 40 0 HKABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019691999 558961394 /nfs/dbraw/zinc/96/13/94/558961394.db2.gz JKVRKDHLISRZPL-XMMPIXPASA-N 1 1 408.977 5.496 40 0 HKABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C ZINC000019692000 558961402 /nfs/dbraw/zinc/96/14/02/558961402.db2.gz JKVRKDHLISRZPL-DEOSSOPVSA-N 1 1 408.977 5.496 40 0 HKABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692001 558961374 /nfs/dbraw/zinc/96/13/74/558961374.db2.gz AFGFPPNKPAFWOH-XMMPIXPASA-N 1 1 408.977 5.496 40 0 HKABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C ZINC000019692002 558961446 /nfs/dbraw/zinc/96/14/46/558961446.db2.gz AFGFPPNKPAFWOH-DEOSSOPVSA-N 1 1 408.977 5.496 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019692009 558961747 /nfs/dbraw/zinc/96/17/47/558961747.db2.gz MPNYARDUCBMPET-QFIPXVFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019692010 558961674 /nfs/dbraw/zinc/96/16/74/558961674.db2.gz MPNYARDUCBMPET-JOCHJYFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+]4C4CCCCC4)nc32)cc1 ZINC000019695869 558964289 /nfs/dbraw/zinc/96/42/89/558964289.db2.gz ODJYZSHJQMERAZ-QHCPKHFHSA-N 1 1 418.585 5.042 40 0 HKABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+]4C4CCCCC4)nc32)cc1 ZINC000019695870 558964304 /nfs/dbraw/zinc/96/43/04/558964304.db2.gz ODJYZSHJQMERAZ-HSZRJFAPSA-N 1 1 418.585 5.042 40 0 HKABMO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703634 558967714 /nfs/dbraw/zinc/96/77/14/558967714.db2.gz ILAFSLUGIVIDJC-DEOSSOPVSA-N 1 1 416.500 5.056 40 0 HKABMO Fc1ccccc1OCCc1cc([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)[nH]n1 ZINC000019703635 558967754 /nfs/dbraw/zinc/96/77/54/558967754.db2.gz ILAFSLUGIVIDJC-XMMPIXPASA-N 1 1 416.500 5.056 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704367 569347632 /nfs/dbraw/zinc/34/76/32/569347632.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 1 1 419.573 5.015 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704367 569347633 /nfs/dbraw/zinc/34/76/33/569347633.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 1 1 419.573 5.015 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704367 569347634 /nfs/dbraw/zinc/34/76/34/569347634.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 1 1 419.573 5.015 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704368 569347658 /nfs/dbraw/zinc/34/76/58/569347658.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 1 1 419.573 5.015 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704368 569347659 /nfs/dbraw/zinc/34/76/59/569347659.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 1 1 419.573 5.015 40 0 HKABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704368 569347660 /nfs/dbraw/zinc/34/76/60/569347660.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 1 1 419.573 5.015 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705240 569347843 /nfs/dbraw/zinc/34/78/43/569347843.db2.gz HOXMIPKXDUAOKL-JOCHJYFZSA-N 1 1 421.006 5.300 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705241 569347896 /nfs/dbraw/zinc/34/78/96/569347896.db2.gz HOXMIPKXDUAOKL-QFIPXVFZSA-N 1 1 421.006 5.300 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@H+](CC(C)C)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705256 569347864 /nfs/dbraw/zinc/34/78/64/569347864.db2.gz CLOFPHHYGOOGIK-NRFANRHFSA-N 1 1 408.995 5.013 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)C)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705257 569347905 /nfs/dbraw/zinc/34/79/05/569347905.db2.gz CLOFPHHYGOOGIK-OAQYLSRUSA-N 1 1 408.995 5.013 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705278 569347850 /nfs/dbraw/zinc/34/78/50/569347850.db2.gz YFTAVLKRPKMMRV-JOCHJYFZSA-N 1 1 424.557 5.028 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705279 569347871 /nfs/dbraw/zinc/34/78/71/569347871.db2.gz YFTAVLKRPKMMRV-QFIPXVFZSA-N 1 1 424.557 5.028 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1 ZINC000019705418 569347927 /nfs/dbraw/zinc/34/79/27/569347927.db2.gz DQXHCMOFKDFXHZ-XMMPIXPASA-N 1 1 414.615 5.079 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCCC3)CC2)sc1CCOc1ccccc1 ZINC000019705419 569347929 /nfs/dbraw/zinc/34/79/29/569347929.db2.gz DQXHCMOFKDFXHZ-DEOSSOPVSA-N 1 1 414.615 5.079 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 ZINC000019705444 569347934 /nfs/dbraw/zinc/34/79/34/569347934.db2.gz GINWYIIIWYHLBB-QFIPXVFZSA-N 1 1 423.022 5.056 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 ZINC000019705445 569347997 /nfs/dbraw/zinc/34/79/97/569347997.db2.gz GINWYIIIWYHLBB-JOCHJYFZSA-N 1 1 423.022 5.056 40 0 HKABMO CCn1ccnc1C[N@@H+](CC)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000019711924 569428902 /nfs/dbraw/zinc/42/89/02/569428902.db2.gz ABRFQFLTJNUMPF-SQJMNOBHSA-N 1 1 419.569 5.321 40 0 HKABMO CCn1ccnc1C[N@@H+](CC)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711999 569428922 /nfs/dbraw/zinc/42/89/22/569428922.db2.gz FETHPHHCJMIWGT-UKILVPOCSA-N 1 1 419.569 5.321 40 0 HKABMO CC[N@@H+](C/C(C)=C/c1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 ZINC000019712708 569348319 /nfs/dbraw/zinc/34/83/19/569348319.db2.gz HIFUZLJBFGKOFC-VIILDYQGSA-N 1 1 420.597 5.470 40 0 HKABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1nc2ccccc2n1C(C)C ZINC000019715477 558976549 /nfs/dbraw/zinc/97/65/49/558976549.db2.gz JCELBTNQLDZRAA-QGZVFWFLSA-N 1 1 405.521 5.410 40 0 HKABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1nc2ccccc2n1C(C)C ZINC000019715478 558976510 /nfs/dbraw/zinc/97/65/10/558976510.db2.gz JCELBTNQLDZRAA-KRWDZBQOSA-N 1 1 405.521 5.410 40 0 HKABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000019718300 558981578 /nfs/dbraw/zinc/98/15/78/558981578.db2.gz FWSKRJDIPRXYGD-UHFFFAOYSA-N 1 1 419.488 5.102 40 0 HKABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2CC2CCCCC2)nc1C ZINC000019755612 558274174 /nfs/dbraw/zinc/27/41/74/558274174.db2.gz CZEZOZUHSHKRJK-QFIPXVFZSA-N 1 1 422.573 5.153 40 0 HKABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2CC2CCCCC2)nc1C ZINC000019755614 558274129 /nfs/dbraw/zinc/27/41/29/558274129.db2.gz CZEZOZUHSHKRJK-JOCHJYFZSA-N 1 1 422.573 5.153 40 0 HKABMO Cc1ccc(COc2cccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000019842666 558294587 /nfs/dbraw/zinc/29/45/87/558294587.db2.gz WDBCLUWJNVMNGT-UHFFFAOYSA-N 1 1 416.590 5.067 40 0 HKABMO CC(C)(C)c1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019842675 558294636 /nfs/dbraw/zinc/29/46/36/558294636.db2.gz QWFVFMLRIGISJQ-UHFFFAOYSA-N 1 1 424.654 5.481 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000019931553 558310345 /nfs/dbraw/zinc/31/03/45/558310345.db2.gz HUGGUFIUJLSSSC-CQSZACIVSA-N 1 1 410.867 5.843 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000019931555 558310277 /nfs/dbraw/zinc/31/02/77/558310277.db2.gz HUGGUFIUJLSSSC-AWEZNQCLSA-N 1 1 410.867 5.843 40 0 HKABMO Cc1ccc(C)c(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019973524 560877863 /nfs/dbraw/zinc/87/78/63/560877863.db2.gz QKSTUSKTEAIDOF-UHFFFAOYSA-N 1 1 415.606 5.407 40 0 HKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000020037467 558325207 /nfs/dbraw/zinc/32/52/07/558325207.db2.gz LWIVFMMROXPECX-MRXNPFEDSA-N 1 1 414.933 5.001 40 0 HKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000020037471 558325154 /nfs/dbraw/zinc/32/51/54/558325154.db2.gz LWIVFMMROXPECX-INIZCTEOSA-N 1 1 414.933 5.001 40 0 HKABMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000020038862 558325313 /nfs/dbraw/zinc/32/53/13/558325313.db2.gz MTMTVJTXRVGVQF-WOJBJXKFSA-N 1 1 424.585 5.207 40 0 HKABMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000020038865 521256112 /nfs/dbraw/zinc/25/61/12/521256112.db2.gz MTMTVJTXRVGVQF-UXHICEINSA-N 1 1 424.585 5.207 40 0 HKABMO COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccccc2)cc1 ZINC000020040438 558325853 /nfs/dbraw/zinc/32/58/53/558325853.db2.gz KNYSHRBWNMPQCU-XIEYBQDHSA-N 1 1 423.516 5.046 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl ZINC000020044841 558327011 /nfs/dbraw/zinc/32/70/11/558327011.db2.gz ZEVFXEGDKWKWQG-UHFFFAOYSA-N 1 1 420.365 5.037 40 0 HKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020098715 560880465 /nfs/dbraw/zinc/88/04/65/560880465.db2.gz ANLWGUIYOJJBRT-OAQYLSRUSA-N 1 1 411.619 5.322 40 0 HKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020098715 560880467 /nfs/dbraw/zinc/88/04/67/560880467.db2.gz ANLWGUIYOJJBRT-OAQYLSRUSA-N 1 1 411.619 5.322 40 0 HKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020098717 560880460 /nfs/dbraw/zinc/88/04/60/560880460.db2.gz ANLWGUIYOJJBRT-NRFANRHFSA-N 1 1 411.619 5.322 40 0 HKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020098717 560880462 /nfs/dbraw/zinc/88/04/62/560880462.db2.gz ANLWGUIYOJJBRT-NRFANRHFSA-N 1 1 411.619 5.322 40 0 HKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020106186 558333408 /nfs/dbraw/zinc/33/34/08/558333408.db2.gz NMDJNNRTXQZYFR-RUZDIDTESA-N 1 1 419.613 5.024 40 0 HKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020106188 558333451 /nfs/dbraw/zinc/33/34/51/558333451.db2.gz NMDJNNRTXQZYFR-VWLOTQADSA-N 1 1 419.613 5.024 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000020110552 558335705 /nfs/dbraw/zinc/33/57/05/558335705.db2.gz YHRHKOJEQISHEF-UHFFFAOYSA-N 1 1 412.518 5.693 40 0 HKABMO C[C@@H](Sc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238500 560883290 /nfs/dbraw/zinc/88/32/90/560883290.db2.gz JRAQADPTWRWWJI-OAQYLSRUSA-N 1 1 416.590 5.101 40 0 HKABMO C[C@H](Sc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238503 560883327 /nfs/dbraw/zinc/88/33/27/560883327.db2.gz JRAQADPTWRWWJI-NRFANRHFSA-N 1 1 416.590 5.101 40 0 HKABMO Cc1ccc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020239992 560883311 /nfs/dbraw/zinc/88/33/11/560883311.db2.gz XHCPMDKQKZTDGI-UHFFFAOYSA-N 1 1 416.590 5.021 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000020452861 558367152 /nfs/dbraw/zinc/36/71/52/558367152.db2.gz FCPSOVJQHGQXIX-OAQYLSRUSA-N 1 1 414.549 5.750 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000020452863 558367059 /nfs/dbraw/zinc/36/70/59/558367059.db2.gz FCPSOVJQHGQXIX-NRFANRHFSA-N 1 1 414.549 5.750 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 ZINC000020455627 558369131 /nfs/dbraw/zinc/36/91/31/558369131.db2.gz RHKQMEGZCTWPJU-GOSISDBHSA-N 1 1 417.018 5.235 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 ZINC000020455629 558369209 /nfs/dbraw/zinc/36/92/09/558369209.db2.gz RHKQMEGZCTWPJU-SFHVURJKSA-N 1 1 417.018 5.235 40 0 HKABMO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020457818 558370690 /nfs/dbraw/zinc/37/06/90/558370690.db2.gz QBRWXEPMTCLOIM-OAQYLSRUSA-N 1 1 408.586 5.068 40 0 HKABMO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020457820 558370633 /nfs/dbraw/zinc/37/06/33/558370633.db2.gz QBRWXEPMTCLOIM-NRFANRHFSA-N 1 1 408.586 5.068 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020458343 558371185 /nfs/dbraw/zinc/37/11/85/558371185.db2.gz FPZVJAOSARKEAZ-UHFFFAOYSA-N 1 1 413.546 5.403 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 ZINC000020461076 558373091 /nfs/dbraw/zinc/37/30/91/558373091.db2.gz YLICDWSGMAJGDR-CQSZACIVSA-N 1 1 405.311 5.072 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 ZINC000020461078 558373048 /nfs/dbraw/zinc/37/30/48/558373048.db2.gz YLICDWSGMAJGDR-AWEZNQCLSA-N 1 1 405.311 5.072 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1SCc1ccccc1 ZINC000020461160 558373108 /nfs/dbraw/zinc/37/31/08/558373108.db2.gz GAGMUYUKUGANMB-UHFFFAOYSA-N 1 1 413.546 5.403 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 ZINC000020483795 558375706 /nfs/dbraw/zinc/37/57/06/558375706.db2.gz QVZQVYMJSVHPLP-HXUWFJFHSA-N 1 1 416.590 6.322 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 ZINC000020483797 524094885 /nfs/dbraw/zinc/09/48/85/524094885.db2.gz QVZQVYMJSVHPLP-FQEVSTJZSA-N 1 1 416.590 6.322 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000020490665 558377722 /nfs/dbraw/zinc/37/77/22/558377722.db2.gz OSMVUYASHCLRSY-UHFFFAOYSA-N 1 1 412.518 5.693 40 0 HKABMO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020491470 558378206 /nfs/dbraw/zinc/37/82/06/558378206.db2.gz MQACNSIEWQLTOA-CJFMBICVSA-N 1 1 408.586 5.444 40 0 HKABMO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020491472 558378192 /nfs/dbraw/zinc/37/81/92/558378192.db2.gz MQACNSIEWQLTOA-NLFFAJNJSA-N 1 1 408.586 5.444 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 ZINC000020495143 558380254 /nfs/dbraw/zinc/38/02/54/558380254.db2.gz IJHYFOAPQNBHAV-GOSISDBHSA-N 1 1 417.018 5.235 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 ZINC000020495145 558380210 /nfs/dbraw/zinc/38/02/10/558380210.db2.gz IJHYFOAPQNBHAV-SFHVURJKSA-N 1 1 417.018 5.235 40 0 HKABMO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503171 575369201 /nfs/dbraw/zinc/36/92/01/575369201.db2.gz PHXDDHVGVJHDDK-GBXCKJPGSA-N 1 1 424.519 5.427 40 0 biogenic,in-vitro HKABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503192 575369258 /nfs/dbraw/zinc/36/92/58/575369258.db2.gz NUEWBOYMFXLQKW-FUHWJXTLSA-N 1 1 418.587 5.411 40 0 biogenic,in-vitro HKABMO O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503374 575369660 /nfs/dbraw/zinc/36/96/60/575369660.db2.gz JLAUUROJJUMJGH-GBXCKJPGSA-N 1 1 424.519 5.427 40 0 biogenic,in-vitro HKABMO O=C(CCc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020513517 558382562 /nfs/dbraw/zinc/38/25/62/558382562.db2.gz AXGTXVPZKYRCBN-UHFFFAOYSA-N 1 1 418.968 5.206 40 0 HKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000021595883 568467636 /nfs/dbraw/zinc/46/76/36/568467636.db2.gz YYLSDBRBVYOLDU-FMIVXFBMSA-N 1 1 421.928 5.004 40 0 HKABMO Clc1ccc(CO[C@@H](Cc2[nH]cc[nH+]2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000021983497 526950153 /nfs/dbraw/zinc/95/01/53/526950153.db2.gz VHVBYHWOJSMAKP-KRWDZBQOSA-N 1 1 416.135 6.524 40 0 HKABMO Clc1ccc(CO[C@H](Cc2[nH]cc[nH+]2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000021983499 526949391 /nfs/dbraw/zinc/94/93/91/526949391.db2.gz VHVBYHWOJSMAKP-QGZVFWFLSA-N 1 1 416.135 6.524 40 0 HKABMO Fc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000022051458 558459831 /nfs/dbraw/zinc/45/98/31/558459831.db2.gz AGTKMLMRHVWXHN-URXFXBBRSA-N 1 1 419.496 5.239 40 0 in-vitro HKABMO CC[NH+](CC)CCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022074940 568473905 /nfs/dbraw/zinc/47/39/05/568473905.db2.gz PEOCFLFGVYDLHU-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022074944 568473997 /nfs/dbraw/zinc/47/39/97/568473997.db2.gz WBQTUSCGERLRLP-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022075123 568473974 /nfs/dbraw/zinc/47/39/74/568473974.db2.gz XMDZGULREKUXKB-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022075208 568473902 /nfs/dbraw/zinc/47/39/02/568473902.db2.gz KTHIQTDZIOYMIS-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO C[NH+](C)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022075234 558462507 /nfs/dbraw/zinc/46/25/07/558462507.db2.gz OXWNIZGQTPDVEU-UHFFFAOYSA-N 1 1 403.353 5.377 40 0 HKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022075731 568474004 /nfs/dbraw/zinc/47/40/04/568474004.db2.gz IHIPZSCDOBUCRF-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022075742 568473949 /nfs/dbraw/zinc/47/39/49/568473949.db2.gz PELRANJLUMTSJW-UHFFFAOYSA-N 1 1 411.373 5.012 40 0 HKABMO CCN(CC)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075828 568474088 /nfs/dbraw/zinc/47/40/88/568474088.db2.gz ALUFWQHKXCZSCG-UHFFFAOYSA-N 1 1 415.792 5.657 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 ZINC000022510265 558492698 /nfs/dbraw/zinc/49/26/98/558492698.db2.gz PDLVYAJZIQIWNL-GOSISDBHSA-N 1 1 417.018 5.235 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 ZINC000022510269 558492726 /nfs/dbraw/zinc/49/27/26/558492726.db2.gz PDLVYAJZIQIWNL-SFHVURJKSA-N 1 1 417.018 5.235 40 0 HKABMO CC(C)C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516350 558493985 /nfs/dbraw/zinc/49/39/85/558493985.db2.gz LGKPNGXMBPOISF-HHHXNRCGSA-N 1 1 412.577 5.762 40 0 HKABMO CC(C)C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516355 558493947 /nfs/dbraw/zinc/49/39/47/558493947.db2.gz LGKPNGXMBPOISF-MHZLTWQESA-N 1 1 412.577 5.762 40 0 HKABMO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC000022517874 558494156 /nfs/dbraw/zinc/49/41/56/558494156.db2.gz KUXDYOVTSDCGFH-AMGIVPHBSA-N 1 1 412.577 5.746 40 0 HKABMO Cc1ccc([C@@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC000022517883 569349776 /nfs/dbraw/zinc/34/97/76/569349776.db2.gz KUXDYOVTSDCGFH-CUNXSJBXSA-N 1 1 412.577 5.746 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC000022524387 558495499 /nfs/dbraw/zinc/49/54/99/558495499.db2.gz NODNFDOQZHXXNJ-HSZRJFAPSA-N 1 1 412.577 5.761 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC000022524393 558495478 /nfs/dbraw/zinc/49/54/78/558495478.db2.gz NODNFDOQZHXXNJ-QHCPKHFHSA-N 1 1 412.577 5.761 40 0 HKABMO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022524418 558495474 /nfs/dbraw/zinc/49/54/74/558495474.db2.gz KCOXJOMBCFDQRP-LJQANCHMSA-N 1 1 408.542 5.128 40 0 HKABMO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022524426 558495405 /nfs/dbraw/zinc/49/54/05/558495405.db2.gz KCOXJOMBCFDQRP-IBGZPJMESA-N 1 1 408.542 5.128 40 0 HKABMO CCSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022529161 558496602 /nfs/dbraw/zinc/49/66/02/558496602.db2.gz JFLIHVLURPZOPY-UHFFFAOYSA-N 1 1 402.563 5.609 40 0 HKABMO C[NH+]1CCN(CCS[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022862314 558517480 /nfs/dbraw/zinc/51/74/80/558517480.db2.gz JZTQXLGXJLBLFI-OAQYLSRUSA-N 1 1 405.032 5.069 40 0 HKABMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000022871027 558518040 /nfs/dbraw/zinc/51/80/40/558518040.db2.gz ZPOYFNXJMYZMJI-HHHXNRCGSA-N 1 1 402.582 5.481 40 0 HKABMO CCc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022914117 569349806 /nfs/dbraw/zinc/34/98/06/569349806.db2.gz BTVHFGUQXXTKRH-UHFFFAOYSA-N 1 1 412.577 5.115 40 0 HKABMO c1ccc(C[C@@H]([NH2+]CCN[C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000023478473 558559550 /nfs/dbraw/zinc/55/95/50/558559550.db2.gz MLOAIMHDNLNGIR-RNPORBBMSA-N 1 1 420.600 6.134 40 0 HKABMO CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000026440558 558661070 /nfs/dbraw/zinc/66/10/70/558661070.db2.gz MENHDFSNXLOASS-SVBPBHIXSA-N 1 1 400.566 5.233 40 0 HKABMO CCOc1ccc([C@H]2CN(Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000026440562 558661038 /nfs/dbraw/zinc/66/10/38/558661038.db2.gz MENHDFSNXLOASS-SXOMAYOGSA-N 1 1 400.566 5.233 40 0 HKABMO CC(C)Oc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027248953 568566607 /nfs/dbraw/zinc/56/66/07/568566607.db2.gz CKJFSUDNDFFHAR-UHFFFAOYSA-N 1 1 414.549 5.021 40 0 HKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220391 558693175 /nfs/dbraw/zinc/69/31/75/558693175.db2.gz HRYVSDWFCQECLV-HSZRJFAPSA-N 1 1 418.968 5.458 40 0 HKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220396 558693136 /nfs/dbraw/zinc/69/31/36/558693136.db2.gz HRYVSDWFCQECLV-QHCPKHFHSA-N 1 1 418.968 5.458 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220590 558693042 /nfs/dbraw/zinc/69/30/42/558693042.db2.gz MUFBUKBKCFCXON-HXUWFJFHSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220594 558693064 /nfs/dbraw/zinc/69/30/64/558693064.db2.gz MUFBUKBKCFCXON-FQEVSTJZSA-N 1 1 420.940 5.983 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000030753742 558736411 /nfs/dbraw/zinc/73/64/11/558736411.db2.gz SDTJSRFTXCQIHT-CQSZACIVSA-N 1 1 410.867 5.843 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000030753745 558736431 /nfs/dbraw/zinc/73/64/31/558736431.db2.gz SDTJSRFTXCQIHT-AWEZNQCLSA-N 1 1 410.867 5.843 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000030754332 558736763 /nfs/dbraw/zinc/73/67/63/558736763.db2.gz QPKJJNUEFNMUFM-UHFFFAOYSA-N 1 1 420.365 5.037 40 0 HKABMO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000030755777 558737097 /nfs/dbraw/zinc/73/70/97/558737097.db2.gz AMDHZDRUTIEQMP-MRXNPFEDSA-N 1 1 414.933 5.001 40 0 HKABMO CCOC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000030755781 558737115 /nfs/dbraw/zinc/73/71/15/558737115.db2.gz AMDHZDRUTIEQMP-INIZCTEOSA-N 1 1 414.933 5.001 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 ZINC000030757129 558737305 /nfs/dbraw/zinc/73/73/05/558737305.db2.gz MMAIHESNGNEKJT-QGZVFWFLSA-N 1 1 402.991 5.094 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 ZINC000030757133 558737508 /nfs/dbraw/zinc/73/75/08/558737508.db2.gz MMAIHESNGNEKJT-KRWDZBQOSA-N 1 1 402.991 5.094 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 ZINC000030758304 558737773 /nfs/dbraw/zinc/73/77/73/558737773.db2.gz PSINYQCYYUMRMO-HXUWFJFHSA-N 1 1 400.522 5.963 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 ZINC000030758307 558737721 /nfs/dbraw/zinc/73/77/21/558737721.db2.gz PSINYQCYYUMRMO-FQEVSTJZSA-N 1 1 400.522 5.963 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000030869013 558743163 /nfs/dbraw/zinc/74/31/63/558743163.db2.gz UMXRABWWAIKGPO-UHFFFAOYSA-N 1 1 420.365 5.037 40 0 HKABMO CC1=C[C@@H](C[N@@H+](C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883589 291290329 /nfs/dbraw/zinc/29/03/29/291290329.db2.gz YYKVSYYALWSRHE-FKBYEOEOSA-N 1 1 410.606 5.291 40 0 biogenic,in-vitro HKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030937850 558744906 /nfs/dbraw/zinc/74/49/06/558744906.db2.gz HMNAITQXMBMCTC-OAQYLSRUSA-N 1 1 402.563 5.689 40 0 HKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030937853 558744973 /nfs/dbraw/zinc/74/49/73/558744973.db2.gz HMNAITQXMBMCTC-NRFANRHFSA-N 1 1 402.563 5.689 40 0 HKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030938087 558744949 /nfs/dbraw/zinc/74/49/49/558744949.db2.gz ZPZIBMPNAXSVJU-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030938089 558744811 /nfs/dbraw/zinc/74/48/11/558744811.db2.gz XOGULMWBZZYFNT-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030938094 558744795 /nfs/dbraw/zinc/74/47/95/558744795.db2.gz XEWWBCBYQUPJDY-UHFFFAOYSA-N 1 1 419.388 5.022 40 0 HKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938195 558744785 /nfs/dbraw/zinc/74/47/85/558744785.db2.gz VODBFEQZHDUZIC-LJQANCHMSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938195 558744789 /nfs/dbraw/zinc/74/47/89/558744789.db2.gz VODBFEQZHDUZIC-LJQANCHMSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938198 558744924 /nfs/dbraw/zinc/74/49/24/558744924.db2.gz VODBFEQZHDUZIC-IBGZPJMESA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938198 558744927 /nfs/dbraw/zinc/74/49/27/558744927.db2.gz VODBFEQZHDUZIC-IBGZPJMESA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938201 558744830 /nfs/dbraw/zinc/74/48/30/558744830.db2.gz PAXFDBWEDQARKP-GOSISDBHSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938201 558744832 /nfs/dbraw/zinc/74/48/32/558744832.db2.gz PAXFDBWEDQARKP-GOSISDBHSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938204 558744819 /nfs/dbraw/zinc/74/48/19/558744819.db2.gz PAXFDBWEDQARKP-SFHVURJKSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938204 558744823 /nfs/dbraw/zinc/74/48/23/558744823.db2.gz PAXFDBWEDQARKP-SFHVURJKSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030938235 558744982 /nfs/dbraw/zinc/74/49/82/558744982.db2.gz YJSVQGVKKSRAMX-UHFFFAOYSA-N 1 1 419.396 6.187 40 0 HKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030938238 558744898 /nfs/dbraw/zinc/74/48/98/558744898.db2.gz DQZJYSPKQWPJDX-UHFFFAOYSA-N 1 1 419.396 6.187 40 0 HKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030940201 558745419 /nfs/dbraw/zinc/74/54/19/558745419.db2.gz NPROORBLGXPMRY-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000030940204 558745455 /nfs/dbraw/zinc/74/54/55/558745455.db2.gz KSNKLMSBBYIAQB-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030940207 558745451 /nfs/dbraw/zinc/74/54/51/558745451.db2.gz OTUBAPPIBHSZMJ-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030940375 558745387 /nfs/dbraw/zinc/74/53/87/558745387.db2.gz YTVLQRLULWTHMC-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000030940378 558745395 /nfs/dbraw/zinc/74/53/95/558745395.db2.gz VMGBOXRFMMZTQT-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000030940380 558745374 /nfs/dbraw/zinc/74/53/74/558745374.db2.gz ORUQBEVKUZYZPJ-UHFFFAOYSA-N 1 1 421.368 5.631 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030941348 558745560 /nfs/dbraw/zinc/74/55/60/558745560.db2.gz KGFHIZFJQKIYCG-HXUWFJFHSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030941351 558745668 /nfs/dbraw/zinc/74/56/68/558745668.db2.gz KGFHIZFJQKIYCG-FQEVSTJZSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941396 558745613 /nfs/dbraw/zinc/74/56/13/558745613.db2.gz KYKMLZGHJJVSAM-HXUWFJFHSA-N 1 1 404.485 5.469 40 0 HKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941399 558745653 /nfs/dbraw/zinc/74/56/53/558745653.db2.gz KYKMLZGHJJVSAM-FQEVSTJZSA-N 1 1 404.485 5.469 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 ZINC000030941454 558745605 /nfs/dbraw/zinc/74/56/05/558745605.db2.gz PIYOGOXOFGYONG-HXUWFJFHSA-N 1 1 400.522 5.963 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 ZINC000030941457 558745552 /nfs/dbraw/zinc/74/55/52/558745552.db2.gz PIYOGOXOFGYONG-FQEVSTJZSA-N 1 1 400.522 5.963 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943711 558745897 /nfs/dbraw/zinc/74/58/97/558745897.db2.gz WCOYJJKWPRFBFQ-FXAWDEMLSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943711 558745900 /nfs/dbraw/zinc/74/59/00/558745900.db2.gz WCOYJJKWPRFBFQ-FXAWDEMLSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943714 558745989 /nfs/dbraw/zinc/74/59/89/558745989.db2.gz WCOYJJKWPRFBFQ-YLJYHZDGSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943714 558745993 /nfs/dbraw/zinc/74/59/93/558745993.db2.gz WCOYJJKWPRFBFQ-YLJYHZDGSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943717 568683388 /nfs/dbraw/zinc/68/33/88/568683388.db2.gz WCOYJJKWPRFBFQ-PXNSSMCTSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943717 568683391 /nfs/dbraw/zinc/68/33/91/568683391.db2.gz WCOYJJKWPRFBFQ-PXNSSMCTSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943720 568683427 /nfs/dbraw/zinc/68/34/27/568683427.db2.gz WCOYJJKWPRFBFQ-XLIONFOSSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943720 568683429 /nfs/dbraw/zinc/68/34/29/568683429.db2.gz WCOYJJKWPRFBFQ-XLIONFOSSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943734 558745818 /nfs/dbraw/zinc/74/58/18/558745818.db2.gz WSPBQJJAYHNRJV-PKOBYXMFSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943734 558745822 /nfs/dbraw/zinc/74/58/22/558745822.db2.gz WSPBQJJAYHNRJV-PKOBYXMFSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943737 558745851 /nfs/dbraw/zinc/74/58/51/558745851.db2.gz WSPBQJJAYHNRJV-IEBWSBKVSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943737 558745855 /nfs/dbraw/zinc/74/58/55/558745855.db2.gz WSPBQJJAYHNRJV-IEBWSBKVSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943738 569350374 /nfs/dbraw/zinc/35/03/74/569350374.db2.gz WSPBQJJAYHNRJV-HKUYNNGSSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943738 569350375 /nfs/dbraw/zinc/35/03/75/569350375.db2.gz WSPBQJJAYHNRJV-HKUYNNGSSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943740 568683348 /nfs/dbraw/zinc/68/33/48/568683348.db2.gz WSPBQJJAYHNRJV-MJGOQNOKSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943740 568683350 /nfs/dbraw/zinc/68/33/50/568683350.db2.gz WSPBQJJAYHNRJV-MJGOQNOKSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030943801 558745920 /nfs/dbraw/zinc/74/59/20/558745920.db2.gz VAQCNEQIMOLVCA-KRWDZBQOSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030943804 558745914 /nfs/dbraw/zinc/74/59/14/558745914.db2.gz VAQCNEQIMOLVCA-QGZVFWFLSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030943806 558745962 /nfs/dbraw/zinc/74/59/62/558745962.db2.gz WSZGZJNYFSXDJA-KRWDZBQOSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030943809 558745843 /nfs/dbraw/zinc/74/58/43/558745843.db2.gz WSZGZJNYFSXDJA-QGZVFWFLSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030943812 558745974 /nfs/dbraw/zinc/74/59/74/558745974.db2.gz PTOOZNWNIWNXIC-KRWDZBQOSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030943815 558745886 /nfs/dbraw/zinc/74/58/86/558745886.db2.gz PTOOZNWNIWNXIC-QGZVFWFLSA-N 1 1 419.396 5.343 40 0 HKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944158 558746232 /nfs/dbraw/zinc/74/62/32/558746232.db2.gz WCCFJGLHGDKCRO-HSZRJFAPSA-N 1 1 418.968 5.458 40 0 HKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944161 558746203 /nfs/dbraw/zinc/74/62/03/558746203.db2.gz WCCFJGLHGDKCRO-QHCPKHFHSA-N 1 1 418.968 5.458 40 0 HKABMO CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4cc[nH+]c4C)cc3)ccc21 ZINC000030945345 558746196 /nfs/dbraw/zinc/74/61/96/558746196.db2.gz WARKXJFGUKHVIR-UHFFFAOYSA-N 1 1 408.505 5.620 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 ZINC000030945654 558746251 /nfs/dbraw/zinc/74/62/51/558746251.db2.gz SFGLOQFBRJVOQI-CYBMUJFWSA-N 1 1 411.760 6.131 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 ZINC000030945657 558746201 /nfs/dbraw/zinc/74/62/01/558746201.db2.gz SFGLOQFBRJVOQI-ZDUSSCGKSA-N 1 1 411.760 6.131 40 0 HKABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21 ZINC000030946789 558746524 /nfs/dbraw/zinc/74/65/24/558746524.db2.gz PLLRYIVSPWMEED-UHFFFAOYSA-N 1 1 403.353 5.185 40 0 HKABMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCc2ccccc21 ZINC000030946792 558746573 /nfs/dbraw/zinc/74/65/73/558746573.db2.gz HBAXXFKNMPIEHO-UHFFFAOYSA-N 1 1 403.353 5.185 40 0 HKABMO O=C(C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)N1CCCc2ccccc21 ZINC000030946794 558746567 /nfs/dbraw/zinc/74/65/67/558746567.db2.gz FNSSYXFBPSDMLX-UHFFFAOYSA-N 1 1 403.353 5.185 40 0 HKABMO c1ccc(C[NH2+][C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000031638224 558751624 /nfs/dbraw/zinc/75/16/24/558751624.db2.gz UQNIZCLCTUZFFG-WUFINQPMSA-N 1 1 403.529 5.811 40 0 HKABMO c1ccc(C[NH2+][C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000031638227 558751583 /nfs/dbraw/zinc/75/15/83/558751583.db2.gz UQNIZCLCTUZFFG-VSGBNLITSA-N 1 1 403.529 5.811 40 0 HKABMO c1ccc(C[NH2+][C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000031638231 558751603 /nfs/dbraw/zinc/75/16/03/558751603.db2.gz UQNIZCLCTUZFFG-NSOVKSMOSA-N 1 1 403.529 5.811 40 0 HKABMO c1ccc(C[NH2+][C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000031638234 558751628 /nfs/dbraw/zinc/75/16/28/558751628.db2.gz UQNIZCLCTUZFFG-IZLXSDGUSA-N 1 1 403.529 5.811 40 0 HKABMO O=C(O[C@@]1(c2nccc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000031750136 558752149 /nfs/dbraw/zinc/75/21/49/558752149.db2.gz WJRVMNZDYSDDGO-NDEPHWFRSA-N 1 1 422.528 5.583 40 0 HKABMO O=C(O[C@]1(c2nccc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000031750140 558752118 /nfs/dbraw/zinc/75/21/18/558752118.db2.gz WJRVMNZDYSDDGO-MUUNZHRXSA-N 1 1 422.528 5.583 40 0 HKABMO O=C(CC[NH+](CCC(=O)c1ccccc1)CCC(=O)c1ccccc1)c1ccccc1 ZINC000031772661 558752423 /nfs/dbraw/zinc/75/24/23/558752423.db2.gz AZDCRHWRAARDET-UHFFFAOYSA-N 1 1 413.517 5.107 40 0 HKABMO Cc1ccc(C(C)C)c(OCCCCn2c3ccccc3nc2C[NH+]2CCCCC2)c1 ZINC000031903416 526247950 /nfs/dbraw/zinc/24/79/50/526247950.db2.gz KAKIVQVGUZOTRB-UHFFFAOYSA-N 1 1 419.613 6.313 40 0 HKABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000031938110 523343945 /nfs/dbraw/zinc/34/39/45/523343945.db2.gz SUKZMYOUEROBNF-RUZDIDTESA-N 1 1 402.925 5.721 40 0 HKABMO [NH3+][C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000031939058 527338147 /nfs/dbraw/zinc/33/81/47/527338147.db2.gz NDLKVNXPSRMINB-QMMMGPOBSA-N 1 1 413.515 5.429 40 0 HKABMO CCCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033569338 558770299 /nfs/dbraw/zinc/77/02/99/558770299.db2.gz BLFNQFZIXNCBND-UHFFFAOYSA-N 1 1 414.549 5.023 40 0 HKABMO Cc1cccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000033675996 569351051 /nfs/dbraw/zinc/35/10/51/569351051.db2.gz GDSAKIHKMAMKFM-UHFFFAOYSA-N 1 1 416.590 5.067 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]12 ZINC000033887768 558772047 /nfs/dbraw/zinc/77/20/47/558772047.db2.gz FGNDTNHMDIFKKW-JDNYXELFSA-N 1 1 418.666 5.183 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]12 ZINC000033887769 558772087 /nfs/dbraw/zinc/77/20/87/558772087.db2.gz FGNDTNHMDIFKKW-QWZRYHCCSA-N 1 1 418.666 5.183 40 0 HKABMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]12 ZINC000033887770 558771996 /nfs/dbraw/zinc/77/19/96/558771996.db2.gz FGNDTNHMDIFKKW-ZWYILXQBSA-N 1 1 418.666 5.183 40 0 HKABMO O=C(Nc1cccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033889247 558772083 /nfs/dbraw/zinc/77/20/83/558772083.db2.gz TZTZSZHTXVSREU-ZNDGRNAPSA-N 1 1 401.554 5.267 40 0 HKABMO Fc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1Cl ZINC000033914222 558772217 /nfs/dbraw/zinc/77/22/17/558772217.db2.gz KPBTYULUNIFINO-OBNJBMLMSA-N 1 1 419.997 5.071 40 0 HKABMO S=C(Nc1cccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033934788 558772470 /nfs/dbraw/zinc/77/24/70/558772470.db2.gz JYFNVKBMCUQIFK-ZNDGRNAPSA-N 1 1 417.622 5.432 40 0 HKABMO O=C(C[NH+]1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000034718938 569048006 /nfs/dbraw/zinc/04/80/06/569048006.db2.gz IFAGTGSSDRZZGP-NFUVXALQSA-N 1 1 413.565 5.296 40 0 HKABMO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000035310735 557685875 /nfs/dbraw/zinc/68/58/75/557685875.db2.gz SQOUZFIVLCUXOJ-SEJPIABJSA-N 1 1 401.510 5.264 40 0 HKABMO COc1ccccc1-c1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000035316526 569052240 /nfs/dbraw/zinc/05/22/40/569052240.db2.gz QWNVCVNGYVOPRE-UHFFFAOYSA-N 1 1 400.566 5.459 40 0 HKABMO COc1ccccc1-c1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000035316526 569052241 /nfs/dbraw/zinc/05/22/41/569052241.db2.gz QWNVCVNGYVOPRE-UHFFFAOYSA-N 1 1 400.566 5.459 40 0 HKABMO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)cc2)n1 ZINC000035322619 569052302 /nfs/dbraw/zinc/05/23/02/569052302.db2.gz ZBJFDCXVKWFXPJ-IBGZPJMESA-N 1 1 402.542 5.116 40 0 HKABMO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)cc2)n1 ZINC000035322622 569052312 /nfs/dbraw/zinc/05/23/12/569052312.db2.gz ZBJFDCXVKWFXPJ-LJQANCHMSA-N 1 1 402.542 5.116 40 0 HKABMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425489 291299280 /nfs/dbraw/zinc/29/92/80/291299280.db2.gz VKYDGONYYAMZDK-NRFANRHFSA-N 1 1 404.514 5.180 40 0 biogenic,in-vitro HKABMO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425489 291299284 /nfs/dbraw/zinc/29/92/84/291299284.db2.gz VKYDGONYYAMZDK-NRFANRHFSA-N 1 1 404.514 5.180 40 0 biogenic,in-vitro HKABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425527 291297601 /nfs/dbraw/zinc/29/76/01/291297601.db2.gz BQFGPDARWUEBJK-QFIPXVFZSA-N 1 1 418.541 5.489 40 0 biogenic,in-vitro HKABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425527 291297604 /nfs/dbraw/zinc/29/76/04/291297604.db2.gz BQFGPDARWUEBJK-QFIPXVFZSA-N 1 1 418.541 5.489 40 0 biogenic,in-vitro HKABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000035446716 291298403 /nfs/dbraw/zinc/29/84/03/291298403.db2.gz LNZAMZUGIYSHKJ-ZDUSSCGKSA-N 1 1 413.365 5.590 40 0 biogenic,in-vitro HKABMO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000035446716 291298404 /nfs/dbraw/zinc/29/84/04/291298404.db2.gz LNZAMZUGIYSHKJ-ZDUSSCGKSA-N 1 1 413.365 5.590 40 0 biogenic,in-vitro HKABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000035446716 291298405 /nfs/dbraw/zinc/29/84/05/291298405.db2.gz LNZAMZUGIYSHKJ-ZDUSSCGKSA-N 1 1 413.365 5.590 40 0 biogenic,in-vitro HKABMO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000036067887 569351715 /nfs/dbraw/zinc/35/17/15/569351715.db2.gz MQACNSIEWQLTOA-CPJSRVTESA-N 1 1 408.586 5.444 40 0 HKABMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000036092688 569351717 /nfs/dbraw/zinc/35/17/17/569351717.db2.gz MTMTVJTXRVGVQF-VQTJNVASSA-N 1 1 424.585 5.207 40 0 HKABMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000036092690 569351705 /nfs/dbraw/zinc/35/17/05/569351705.db2.gz MTMTVJTXRVGVQF-PMACEKPBSA-N 1 1 424.585 5.207 40 0 HKABMO Cc1ccc([C@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC000036124378 569351687 /nfs/dbraw/zinc/35/16/87/569351687.db2.gz KUXDYOVTSDCGFH-WXVAWEFUSA-N 1 1 412.577 5.746 40 0 HKABMO COc1ccccc1CN[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000036324026 558933028 /nfs/dbraw/zinc/93/30/28/558933028.db2.gz FLNYLINBEZROPL-VSGBNLITSA-N 1 1 412.577 5.080 40 0 HKABMO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000036614567 558727734 /nfs/dbraw/zinc/72/77/34/558727734.db2.gz XGYONAAGJOZHRO-CDCUFJRJSA-N 1 1 407.554 5.172 40 0 HKABMO O=C(N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734728 558801133 /nfs/dbraw/zinc/80/11/33/558801133.db2.gz RJASJPPNRNWZKT-GMAHTHKFSA-N 1 1 411.977 5.137 40 0 HKABMO O=C(N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734731 558801225 /nfs/dbraw/zinc/80/12/25/558801225.db2.gz RJASJPPNRNWZKT-GGAORHGYSA-N 1 1 411.977 5.137 40 0 HKABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734735 558801151 /nfs/dbraw/zinc/80/11/51/558801151.db2.gz LZRSCGNUDVLUTL-URXFXBBRSA-N 1 1 423.601 5.129 40 0 HKABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734740 558801476 /nfs/dbraw/zinc/80/14/76/558801476.db2.gz LZRSCGNUDVLUTL-QPPBQGQZSA-N 1 1 423.601 5.129 40 0 HKABMO COc1ccc2c(c1)c(C[N@@H+](CCCn1ccnc1)Cc1ccc(C)s1)c(C)n2C ZINC000036740425 558801660 /nfs/dbraw/zinc/80/16/60/558801660.db2.gz FIFYIQASPPZLAY-UHFFFAOYSA-N 1 1 422.598 5.154 40 0 HKABMO c1ccc([C@@H]2C[N@@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 ZINC000038545460 558812777 /nfs/dbraw/zinc/81/27/77/558812777.db2.gz KAYYXDPIMIYMRS-NDEPHWFRSA-N 1 1 404.557 5.625 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000038753274 558813910 /nfs/dbraw/zinc/81/39/10/558813910.db2.gz BIIXFCMBHBFRNC-UHFFFAOYSA-N 1 1 420.365 5.037 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000038753563 558814001 /nfs/dbraw/zinc/81/40/01/558814001.db2.gz OOLBOTOKMDSMKJ-UHFFFAOYSA-N 1 1 413.546 5.403 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 ZINC000038772085 558815197 /nfs/dbraw/zinc/81/51/97/558815197.db2.gz XSFZKFJRMYONGR-CQSZACIVSA-N 1 1 421.766 5.587 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 ZINC000038772088 558815191 /nfs/dbraw/zinc/81/51/91/558815191.db2.gz XSFZKFJRMYONGR-AWEZNQCLSA-N 1 1 421.766 5.587 40 0 HKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833098 558817101 /nfs/dbraw/zinc/81/71/01/558817101.db2.gz RMEZXEZHPWSWCB-RUZDIDTESA-N 1 1 416.540 5.267 40 0 HKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833099 558817079 /nfs/dbraw/zinc/81/70/79/558817079.db2.gz RMEZXEZHPWSWCB-VWLOTQADSA-N 1 1 416.540 5.267 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833699 558817241 /nfs/dbraw/zinc/81/72/41/558817241.db2.gz LWYAGDZJIOJRPB-GOSISDBHSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833699 558817242 /nfs/dbraw/zinc/81/72/42/558817242.db2.gz LWYAGDZJIOJRPB-GOSISDBHSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833700 558817221 /nfs/dbraw/zinc/81/72/21/558817221.db2.gz LWYAGDZJIOJRPB-SFHVURJKSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833700 558817222 /nfs/dbraw/zinc/81/72/22/558817222.db2.gz LWYAGDZJIOJRPB-SFHVURJKSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833703 558817233 /nfs/dbraw/zinc/81/72/33/558817233.db2.gz YIHGSEHBOSFOJO-QGZVFWFLSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833703 558817235 /nfs/dbraw/zinc/81/72/35/558817235.db2.gz YIHGSEHBOSFOJO-QGZVFWFLSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833704 558817212 /nfs/dbraw/zinc/81/72/12/558817212.db2.gz YIHGSEHBOSFOJO-KRWDZBQOSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833704 558817214 /nfs/dbraw/zinc/81/72/14/558817214.db2.gz YIHGSEHBOSFOJO-KRWDZBQOSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038833715 558817205 /nfs/dbraw/zinc/81/72/05/558817205.db2.gz HGBVSFVLTSSUTI-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038833716 558817265 /nfs/dbraw/zinc/81/72/65/558817265.db2.gz BLUPOQSSEDUAGQ-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038833717 558817276 /nfs/dbraw/zinc/81/72/76/558817276.db2.gz PGDQQUVQGBYLFY-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038833719 558817261 /nfs/dbraw/zinc/81/72/61/558817261.db2.gz GLHINZBFWJINBA-UHFFFAOYSA-N 1 1 415.375 5.423 40 0 HKABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834057 558817386 /nfs/dbraw/zinc/81/73/86/558817386.db2.gz LERISMKGCVTKFB-GOSISDBHSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834058 558817396 /nfs/dbraw/zinc/81/73/96/558817396.db2.gz LERISMKGCVTKFB-SFHVURJKSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834061 558817368 /nfs/dbraw/zinc/81/73/68/558817368.db2.gz UOKNZAIXABFGNA-QGZVFWFLSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834062 558817358 /nfs/dbraw/zinc/81/73/58/558817358.db2.gz UOKNZAIXABFGNA-KRWDZBQOSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834073 558817356 /nfs/dbraw/zinc/81/73/56/558817356.db2.gz BHWUVHWTOLSMEM-UHFFFAOYSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834074 558817461 /nfs/dbraw/zinc/81/74/61/558817461.db2.gz IBCGAHJDDGNHCT-UHFFFAOYSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834075 558817352 /nfs/dbraw/zinc/81/73/52/558817352.db2.gz HGPAWYMOMNEGHP-UHFFFAOYSA-N 1 1 413.348 5.997 40 0 HKABMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038834077 558817382 /nfs/dbraw/zinc/81/73/82/558817382.db2.gz GPQAKWFBADOQNF-UHFFFAOYSA-N 1 1 423.354 5.453 40 0 HKABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834284 558817467 /nfs/dbraw/zinc/81/74/67/558817467.db2.gz XCXDDUQZBKDZQD-MRXNPFEDSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834284 558817469 /nfs/dbraw/zinc/81/74/69/558817469.db2.gz XCXDDUQZBKDZQD-MRXNPFEDSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834285 558817391 /nfs/dbraw/zinc/81/73/91/558817391.db2.gz XCXDDUQZBKDZQD-INIZCTEOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834285 558817393 /nfs/dbraw/zinc/81/73/93/558817393.db2.gz XCXDDUQZBKDZQD-INIZCTEOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834288 558817426 /nfs/dbraw/zinc/81/74/26/558817426.db2.gz DOJGFQUHBHXWDR-OAHLLOKOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834288 558817430 /nfs/dbraw/zinc/81/74/30/558817430.db2.gz DOJGFQUHBHXWDR-OAHLLOKOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834289 558817407 /nfs/dbraw/zinc/81/74/07/558817407.db2.gz DOJGFQUHBHXWDR-HNNXBMFYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834289 558817408 /nfs/dbraw/zinc/81/74/08/558817408.db2.gz DOJGFQUHBHXWDR-HNNXBMFYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834300 558817438 /nfs/dbraw/zinc/81/74/38/558817438.db2.gz BVCKCEVOOQFWPA-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834301 558817446 /nfs/dbraw/zinc/81/74/46/558817446.db2.gz YFYHZSBZYVFUND-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834302 558817433 /nfs/dbraw/zinc/81/74/33/558817433.db2.gz XKDNQLPGXCUTCG-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834340 558817401 /nfs/dbraw/zinc/81/74/01/558817401.db2.gz XJTNQZVXYHRWJE-MRXNPFEDSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834340 558817403 /nfs/dbraw/zinc/81/74/03/558817403.db2.gz XJTNQZVXYHRWJE-MRXNPFEDSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834341 558817678 /nfs/dbraw/zinc/81/76/78/558817678.db2.gz XJTNQZVXYHRWJE-INIZCTEOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834341 558817679 /nfs/dbraw/zinc/81/76/79/558817679.db2.gz XJTNQZVXYHRWJE-INIZCTEOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834344 558817672 /nfs/dbraw/zinc/81/76/72/558817672.db2.gz OFCFEDVNPXKODA-OAHLLOKOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834344 558817673 /nfs/dbraw/zinc/81/76/73/558817673.db2.gz OFCFEDVNPXKODA-OAHLLOKOSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834345 558817658 /nfs/dbraw/zinc/81/76/58/558817658.db2.gz OFCFEDVNPXKODA-HNNXBMFYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834345 558817660 /nfs/dbraw/zinc/81/76/60/558817660.db2.gz OFCFEDVNPXKODA-HNNXBMFYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038834356 558817558 /nfs/dbraw/zinc/81/75/58/558817558.db2.gz RQBGWZRSGUTCAH-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038834357 558817611 /nfs/dbraw/zinc/81/76/11/558817611.db2.gz QYGRWQBQFZMBMF-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038834358 558817664 /nfs/dbraw/zinc/81/76/64/558817664.db2.gz KNYBAZAKGHRXOW-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834397 558817604 /nfs/dbraw/zinc/81/76/04/558817604.db2.gz QPKWYFXYVRRURX-HXUWFJFHSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834398 558817566 /nfs/dbraw/zinc/81/75/66/558817566.db2.gz QPKWYFXYVRRURX-FQEVSTJZSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834401 558817653 /nfs/dbraw/zinc/81/76/53/558817653.db2.gz PTMVOFQIACKCIU-HXUWFJFHSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834402 558817647 /nfs/dbraw/zinc/81/76/47/558817647.db2.gz PTMVOFQIACKCIU-FQEVSTJZSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834415 558817642 /nfs/dbraw/zinc/81/76/42/558817642.db2.gz JXWAWYWWMZWKBL-HXUWFJFHSA-N 1 1 404.485 5.469 40 0 HKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834416 558817575 /nfs/dbraw/zinc/81/75/75/558817575.db2.gz JXWAWYWWMZWKBL-FQEVSTJZSA-N 1 1 404.485 5.469 40 0 HKABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038836546 558817950 /nfs/dbraw/zinc/81/79/50/558817950.db2.gz JRJWGQWFIOOWPN-UHFFFAOYSA-N 1 1 423.409 5.114 40 0 HKABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038836549 558818174 /nfs/dbraw/zinc/81/81/74/558818174.db2.gz VVWVPXUCDSRTIA-UHFFFAOYSA-N 1 1 423.409 5.114 40 0 HKABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038836552 558818145 /nfs/dbraw/zinc/81/81/45/558818145.db2.gz YKIHPNWLCCPZOW-UHFFFAOYSA-N 1 1 423.409 5.114 40 0 HKABMO O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836818 558818103 /nfs/dbraw/zinc/81/81/03/558818103.db2.gz PPMRFZWFPSLCHP-KRWDZBQOSA-N 1 1 423.409 5.114 40 0 HKABMO O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836821 558818095 /nfs/dbraw/zinc/81/80/95/558818095.db2.gz PPMRFZWFPSLCHP-QGZVFWFLSA-N 1 1 423.409 5.114 40 0 HKABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848606 558818345 /nfs/dbraw/zinc/81/83/45/558818345.db2.gz AVVVJQUAQPXDRR-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848607 558818374 /nfs/dbraw/zinc/81/83/74/558818374.db2.gz DYLLLTLDKMCVCM-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038848608 558818286 /nfs/dbraw/zinc/81/82/86/558818286.db2.gz MQMPCLFIPPPPTB-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848643 558818356 /nfs/dbraw/zinc/81/83/56/558818356.db2.gz PWAWRSINHIRKPX-INIZCTEOSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848644 558818240 /nfs/dbraw/zinc/81/82/40/558818240.db2.gz PWAWRSINHIRKPX-MRXNPFEDSA-N 1 1 411.760 5.175 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849440 558818496 /nfs/dbraw/zinc/81/84/96/558818496.db2.gz UYMLDHWVRZHGQF-MRXNPFEDSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849440 558818497 /nfs/dbraw/zinc/81/84/97/558818497.db2.gz UYMLDHWVRZHGQF-MRXNPFEDSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849441 558818508 /nfs/dbraw/zinc/81/85/08/558818508.db2.gz UYMLDHWVRZHGQF-INIZCTEOSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849441 558818509 /nfs/dbraw/zinc/81/85/09/558818509.db2.gz UYMLDHWVRZHGQF-INIZCTEOSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849444 558818445 /nfs/dbraw/zinc/81/84/45/558818445.db2.gz NVHNIDNEZPJPIZ-OAHLLOKOSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849444 558818447 /nfs/dbraw/zinc/81/84/47/558818447.db2.gz NVHNIDNEZPJPIZ-OAHLLOKOSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849445 558818481 /nfs/dbraw/zinc/81/84/81/558818481.db2.gz NVHNIDNEZPJPIZ-HNNXBMFYSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849445 558818482 /nfs/dbraw/zinc/81/84/82/558818482.db2.gz NVHNIDNEZPJPIZ-HNNXBMFYSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849456 558818502 /nfs/dbraw/zinc/81/85/02/558818502.db2.gz JGAXQKUSZBVCBZ-UHFFFAOYSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849457 558818464 /nfs/dbraw/zinc/81/84/64/558818464.db2.gz WHGJPRZJFZGYTH-UHFFFAOYSA-N 1 1 407.341 5.161 40 0 HKABMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849458 558818474 /nfs/dbraw/zinc/81/84/74/558818474.db2.gz WGGZGTBIHSZSLL-UHFFFAOYSA-N 1 1 407.341 5.161 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849500 558818484 /nfs/dbraw/zinc/81/84/84/558818484.db2.gz SOFVMBKFQJJCMT-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849500 558818485 /nfs/dbraw/zinc/81/84/85/558818485.db2.gz SOFVMBKFQJJCMT-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849501 558818426 /nfs/dbraw/zinc/81/84/26/558818426.db2.gz SOFVMBKFQJJCMT-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849501 558818428 /nfs/dbraw/zinc/81/84/28/558818428.db2.gz SOFVMBKFQJJCMT-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849504 558818499 /nfs/dbraw/zinc/81/84/99/558818499.db2.gz WWMLZYUOWYTXPH-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849504 558818500 /nfs/dbraw/zinc/81/85/00/558818500.db2.gz WWMLZYUOWYTXPH-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849505 558818476 /nfs/dbraw/zinc/81/84/76/558818476.db2.gz WWMLZYUOWYTXPH-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849505 558818477 /nfs/dbraw/zinc/81/84/77/558818477.db2.gz WWMLZYUOWYTXPH-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849516 558818457 /nfs/dbraw/zinc/81/84/57/558818457.db2.gz DLYBNFBXSXMVDE-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849517 558818479 /nfs/dbraw/zinc/81/84/79/558818479.db2.gz GMJWKEIVKBTFPE-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849518 558818461 /nfs/dbraw/zinc/81/84/61/558818461.db2.gz QBDSPQCWQBBKAA-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849520 558818418 /nfs/dbraw/zinc/81/84/18/558818418.db2.gz SODGIAMUGNWQCA-UHFFFAOYSA-N 1 1 421.766 5.262 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849555 558818440 /nfs/dbraw/zinc/81/84/40/558818440.db2.gz SNYOLBATJNGAGP-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849555 558818441 /nfs/dbraw/zinc/81/84/41/558818441.db2.gz SNYOLBATJNGAGP-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849556 558818451 /nfs/dbraw/zinc/81/84/51/558818451.db2.gz SNYOLBATJNGAGP-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849556 558818453 /nfs/dbraw/zinc/81/84/53/558818453.db2.gz SNYOLBATJNGAGP-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849559 558818493 /nfs/dbraw/zinc/81/84/93/558818493.db2.gz KGMSJVSJBFFUBZ-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849559 558818494 /nfs/dbraw/zinc/81/84/94/558818494.db2.gz KGMSJVSJBFFUBZ-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849560 558818471 /nfs/dbraw/zinc/81/84/71/558818471.db2.gz KGMSJVSJBFFUBZ-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849560 558818472 /nfs/dbraw/zinc/81/84/72/558818472.db2.gz KGMSJVSJBFFUBZ-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849571 558818469 /nfs/dbraw/zinc/81/84/69/558818469.db2.gz WVHIKNZVQKTAKO-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849572 558818638 /nfs/dbraw/zinc/81/86/38/558818638.db2.gz MACCAYIAHPJTEP-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849573 558818653 /nfs/dbraw/zinc/81/86/53/558818653.db2.gz JFWNEILVUSAAQD-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849575 558818709 /nfs/dbraw/zinc/81/87/09/558818709.db2.gz ZKOYFBIPLUBRJC-UHFFFAOYSA-N 1 1 421.766 5.262 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849613 558818688 /nfs/dbraw/zinc/81/86/88/558818688.db2.gz GXRWVSSYQIQLMK-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849613 558818690 /nfs/dbraw/zinc/81/86/90/558818690.db2.gz GXRWVSSYQIQLMK-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849614 558818662 /nfs/dbraw/zinc/81/86/62/558818662.db2.gz GXRWVSSYQIQLMK-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849614 558818665 /nfs/dbraw/zinc/81/86/65/558818665.db2.gz GXRWVSSYQIQLMK-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849617 558818672 /nfs/dbraw/zinc/81/86/72/558818672.db2.gz XPJWLLLFSXWMFA-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849617 558818675 /nfs/dbraw/zinc/81/86/75/558818675.db2.gz XPJWLLLFSXWMFA-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849618 558818714 /nfs/dbraw/zinc/81/87/14/558818714.db2.gz XPJWLLLFSXWMFA-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849618 558818716 /nfs/dbraw/zinc/81/87/16/558818716.db2.gz XPJWLLLFSXWMFA-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849629 558818600 /nfs/dbraw/zinc/81/86/00/558818600.db2.gz UTOYLJMPEWFPPA-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849630 558818740 /nfs/dbraw/zinc/81/87/40/558818740.db2.gz FUVBADKJJNSYQZ-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849631 558818604 /nfs/dbraw/zinc/81/86/04/558818604.db2.gz MNJXYWOITPJUIR-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849633 558818679 /nfs/dbraw/zinc/81/86/79/558818679.db2.gz GYGKOCXDBCIZAK-UHFFFAOYSA-N 1 1 421.766 5.262 40 0 HKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849666 558818696 /nfs/dbraw/zinc/81/86/96/558818696.db2.gz CPMYEZRLEDNFBR-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849666 558818699 /nfs/dbraw/zinc/81/86/99/558818699.db2.gz CPMYEZRLEDNFBR-OAHLLOKOSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849667 558818628 /nfs/dbraw/zinc/81/86/28/558818628.db2.gz CPMYEZRLEDNFBR-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849667 558818630 /nfs/dbraw/zinc/81/86/30/558818630.db2.gz CPMYEZRLEDNFBR-HNNXBMFYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849670 558818646 /nfs/dbraw/zinc/81/86/46/558818646.db2.gz XCTUMYBZOCTSDB-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849670 558818648 /nfs/dbraw/zinc/81/86/48/558818648.db2.gz XCTUMYBZOCTSDB-CQSZACIVSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849671 558818725 /nfs/dbraw/zinc/81/87/25/558818725.db2.gz XCTUMYBZOCTSDB-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849671 558818728 /nfs/dbraw/zinc/81/87/28/558818728.db2.gz XCTUMYBZOCTSDB-AWEZNQCLSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000038849682 558818734 /nfs/dbraw/zinc/81/87/34/558818734.db2.gz RUDOCEUMAMXNNN-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000038849683 558818643 /nfs/dbraw/zinc/81/86/43/558818643.db2.gz QQXUUIGMNDOIEB-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000038849684 558818624 /nfs/dbraw/zinc/81/86/24/558818624.db2.gz WUEPLYSUDLNQOJ-UHFFFAOYSA-N 1 1 411.760 5.806 40 0 HKABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1Cl ZINC000038849686 558818634 /nfs/dbraw/zinc/81/86/34/558818634.db2.gz PHOZUUKAJBJNQH-UHFFFAOYSA-N 1 1 421.766 5.262 40 0 HKABMO Cc1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1Br ZINC000038850306 558818934 /nfs/dbraw/zinc/81/89/34/558818934.db2.gz ODZKMXBRKWRXRY-HNNXBMFYSA-N 1 1 401.348 5.242 40 0 HKABMO Cc1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1Br ZINC000038850307 558818820 /nfs/dbraw/zinc/81/88/20/558818820.db2.gz ODZKMXBRKWRXRY-OAHLLOKOSA-N 1 1 401.348 5.242 40 0 HKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038850577 558818937 /nfs/dbraw/zinc/81/89/37/558818937.db2.gz HBZCSHRZKUXEFG-AWEZNQCLSA-N 1 1 414.830 5.349 40 0 HKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038850579 558818897 /nfs/dbraw/zinc/81/88/97/558818897.db2.gz HBZCSHRZKUXEFG-CQSZACIVSA-N 1 1 414.830 5.349 40 0 HKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038850664 558818914 /nfs/dbraw/zinc/81/89/14/558818914.db2.gz OEPXIBYIWBDZGB-JOCHJYFZSA-N 1 1 418.512 5.255 40 0 HKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038850666 558818888 /nfs/dbraw/zinc/81/88/88/558818888.db2.gz OEPXIBYIWBDZGB-QFIPXVFZSA-N 1 1 418.512 5.255 40 0 HKABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850857 558818842 /nfs/dbraw/zinc/81/88/42/558818842.db2.gz YEVVJHPXJRCLNJ-HSZRJFAPSA-N 1 1 410.989 5.033 40 0 HKABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850859 558818860 /nfs/dbraw/zinc/81/88/60/558818860.db2.gz YEVVJHPXJRCLNJ-QHCPKHFHSA-N 1 1 410.989 5.033 40 0 HKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000038851474 558818757 /nfs/dbraw/zinc/81/87/57/558818757.db2.gz APBDLCWBTHVWFM-UHFFFAOYSA-N 1 1 413.546 5.784 40 0 HKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038852543 558819050 /nfs/dbraw/zinc/81/90/50/558819050.db2.gz DFRGSVSDPMGDOV-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038852545 558819066 /nfs/dbraw/zinc/81/90/66/558819066.db2.gz GQRWZINNVUTWIT-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038852547 558819057 /nfs/dbraw/zinc/81/90/57/558819057.db2.gz MSPFYITVXWULIN-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038853464 558819068 /nfs/dbraw/zinc/81/90/68/558819068.db2.gz WNRXIISFRLIWJD-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038853466 558819072 /nfs/dbraw/zinc/81/90/72/558819072.db2.gz HVMNUPQYFYRFSS-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038853468 558819076 /nfs/dbraw/zinc/81/90/76/558819076.db2.gz INPSPBOLRMRFCM-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000038856100 558819280 /nfs/dbraw/zinc/81/92/80/558819280.db2.gz KIXDMWQAXDAURN-UHFFFAOYSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000038856102 558819215 /nfs/dbraw/zinc/81/92/15/558819215.db2.gz UZTGZVJCBOLFMT-UHFFFAOYSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000038856104 558819252 /nfs/dbraw/zinc/81/92/52/558819252.db2.gz ZECRHRMMXJLDBT-UHFFFAOYSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000038856109 558819225 /nfs/dbraw/zinc/81/92/25/558819225.db2.gz PUJCKLOGSBSUIT-UHFFFAOYSA-N 1 1 415.375 5.225 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856222 558819382 /nfs/dbraw/zinc/81/93/82/558819382.db2.gz OOBVPJNPPKXOED-UHFFFAOYSA-N 1 1 419.396 5.969 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856224 558819439 /nfs/dbraw/zinc/81/94/39/558819439.db2.gz SQPUCLOSKARYBX-UHFFFAOYSA-N 1 1 419.396 5.969 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038856226 558819444 /nfs/dbraw/zinc/81/94/44/558819444.db2.gz PIPISDBBZCMKDC-UHFFFAOYSA-N 1 1 419.396 5.969 40 0 HKABMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856721 558819387 /nfs/dbraw/zinc/81/93/87/558819387.db2.gz AYCGYJFCQABDAK-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856723 558819361 /nfs/dbraw/zinc/81/93/61/558819361.db2.gz MGCUHGCLTWMPRE-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038856725 558819355 /nfs/dbraw/zinc/81/93/55/558819355.db2.gz IBVPHPABGNJHJQ-UHFFFAOYSA-N 1 1 405.369 5.968 40 0 HKABMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038856729 558819374 /nfs/dbraw/zinc/81/93/74/558819374.db2.gz YALNPBRLAIXRHO-UHFFFAOYSA-N 1 1 415.375 5.423 40 0 HKABMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856945 558819433 /nfs/dbraw/zinc/81/94/33/558819433.db2.gz HUDZXLMBVASHPT-UHFFFAOYSA-N 1 1 405.369 5.715 40 0 HKABMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856947 558819348 /nfs/dbraw/zinc/81/93/48/558819348.db2.gz PNGHVEYRKZKSCK-UHFFFAOYSA-N 1 1 405.369 5.715 40 0 HKABMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038856949 558819352 /nfs/dbraw/zinc/81/93/52/558819352.db2.gz CLWNXSOSVJIKMD-UHFFFAOYSA-N 1 1 405.369 5.715 40 0 HKABMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038856953 558819402 /nfs/dbraw/zinc/81/94/02/558819402.db2.gz CKIBYLRTTSPPSM-UHFFFAOYSA-N 1 1 415.375 5.171 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 ZINC000038857100 558819345 /nfs/dbraw/zinc/81/93/45/558819345.db2.gz DXZXTQSSTYTNTC-CQSZACIVSA-N 1 1 410.867 5.843 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 ZINC000038857102 558819365 /nfs/dbraw/zinc/81/93/65/558819365.db2.gz DXZXTQSSTYTNTC-AWEZNQCLSA-N 1 1 410.867 5.843 40 0 HKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038859933 558819630 /nfs/dbraw/zinc/81/96/30/558819630.db2.gz FOLGHTQGDJMASQ-UHFFFAOYSA-N 1 1 419.396 6.276 40 0 HKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038859937 558819577 /nfs/dbraw/zinc/81/95/77/558819577.db2.gz RDJAAJUJZIRORB-UHFFFAOYSA-N 1 1 419.396 6.276 40 0 HKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038859941 558819540 /nfs/dbraw/zinc/81/95/40/558819540.db2.gz FMMJQICFWBCMGT-UHFFFAOYSA-N 1 1 419.396 6.276 40 0 HKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038860746 558819544 /nfs/dbraw/zinc/81/95/44/558819544.db2.gz HCPZABJXATXVOG-FQEVSTJZSA-N 1 1 420.940 5.983 40 0 HKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038860749 558819608 /nfs/dbraw/zinc/81/96/08/558819608.db2.gz HCPZABJXATXVOG-HXUWFJFHSA-N 1 1 420.940 5.983 40 0 HKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000038860865 558819632 /nfs/dbraw/zinc/81/96/32/558819632.db2.gz FSNVJRGUWIAQNS-UHFFFAOYSA-N 1 1 417.896 5.938 40 0 HKABMO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000039743397 558686933 /nfs/dbraw/zinc/68/69/33/558686933.db2.gz IYEVXABKZDOGDQ-UHFFFAOYSA-N 1 1 413.993 5.033 40 0 HKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039747735 558686898 /nfs/dbraw/zinc/68/68/98/558686898.db2.gz ZANGUUIOYPHTCL-UHFFFAOYSA-N 1 1 402.941 5.762 40 0 HKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039752554 558687037 /nfs/dbraw/zinc/68/70/37/558687037.db2.gz SFVFASLBFSKEGD-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO CC(C)c1ccc(CCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039755629 558687533 /nfs/dbraw/zinc/68/75/33/558687533.db2.gz AYSMMPNEODOTNA-UHFFFAOYSA-N 1 1 416.968 5.173 40 0 HKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039759888 558685277 /nfs/dbraw/zinc/68/52/77/558685277.db2.gz JWSPRHAKSPNEIE-UHFFFAOYSA-N 1 1 404.913 5.117 40 0 HKABMO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039760908 558685329 /nfs/dbraw/zinc/68/53/29/558685329.db2.gz QFQLCZMTKZEUMP-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039761784 558685602 /nfs/dbraw/zinc/68/56/02/558685602.db2.gz QOSAFHXUUYKEGH-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039762638 558685531 /nfs/dbraw/zinc/68/55/31/558685531.db2.gz OYHKYUNRVHSREB-UHFFFAOYSA-N 1 1 404.913 5.117 40 0 HKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039762916 558685856 /nfs/dbraw/zinc/68/58/56/558685856.db2.gz IUVJGQZOMZWDGI-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039766397 558685890 /nfs/dbraw/zinc/68/58/90/558685890.db2.gz NWIVWBXCIKSJCW-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039773369 558686673 /nfs/dbraw/zinc/68/66/73/558686673.db2.gz NRDAEKMDXLCQAP-UHFFFAOYSA-N 1 1 422.931 5.997 40 0 HKABMO Cc1cccc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)oc21 ZINC000041306820 524972197 /nfs/dbraw/zinc/97/21/97/524972197.db2.gz MAGOBXDQNGXIHU-UHFFFAOYSA-N 1 1 410.517 5.289 40 0 HKABMO CC(C)n1c2ccccc2nc1C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277678 519928258 /nfs/dbraw/zinc/92/82/58/519928258.db2.gz QFNOIGYCICGBEO-UHFFFAOYSA-N 1 1 405.521 5.045 40 0 HKABMO CC(C)n1c2ccccc2nc1C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277678 519928274 /nfs/dbraw/zinc/92/82/74/519928274.db2.gz QFNOIGYCICGBEO-UHFFFAOYSA-N 1 1 405.521 5.045 40 0 HKABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000043277797 524440487 /nfs/dbraw/zinc/44/04/87/524440487.db2.gz BWIWNPBUQAWNIU-UHFFFAOYSA-N 1 1 404.341 5.291 40 0 HKABMO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC000043277801 524440093 /nfs/dbraw/zinc/44/00/93/524440093.db2.gz FSGAYRZEVNDSHK-UHFFFAOYSA-N 1 1 404.341 5.291 40 0 HKABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC000043277801 524440101 /nfs/dbraw/zinc/44/01/01/524440101.db2.gz FSGAYRZEVNDSHK-UHFFFAOYSA-N 1 1 404.341 5.291 40 0 HKABMO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044786573 526109049 /nfs/dbraw/zinc/10/90/49/526109049.db2.gz GWKWBEBJHBGVKB-UHFFFAOYSA-N 1 1 419.388 5.022 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786862 524301328 /nfs/dbraw/zinc/30/13/28/524301328.db2.gz YXERBVCSJLWLJQ-GOSISDBHSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786862 524301335 /nfs/dbraw/zinc/30/13/35/524301335.db2.gz YXERBVCSJLWLJQ-GOSISDBHSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786864 524303022 /nfs/dbraw/zinc/30/30/22/524303022.db2.gz YXERBVCSJLWLJQ-SFHVURJKSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786864 524303030 /nfs/dbraw/zinc/30/30/30/524303030.db2.gz YXERBVCSJLWLJQ-SFHVURJKSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786870 524301099 /nfs/dbraw/zinc/30/10/99/524301099.db2.gz FITBYXIWBFODFV-QGZVFWFLSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786870 524301106 /nfs/dbraw/zinc/30/11/06/524301106.db2.gz FITBYXIWBFODFV-QGZVFWFLSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786872 524302872 /nfs/dbraw/zinc/30/28/72/524302872.db2.gz FITBYXIWBFODFV-KRWDZBQOSA-N 1 1 405.369 5.769 40 0 HKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786872 524302879 /nfs/dbraw/zinc/30/28/79/524302879.db2.gz FITBYXIWBFODFV-KRWDZBQOSA-N 1 1 405.369 5.769 40 0 HKABMO COc1ccc(/C=C(/C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)cc1 ZINC000044848654 523380075 /nfs/dbraw/zinc/38/00/75/523380075.db2.gz JONADBRLNFWGCZ-NLRVBDNBSA-N 1 1 423.516 5.046 40 0 HKABMO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044851641 520473666 /nfs/dbraw/zinc/47/36/66/520473666.db2.gz KUVDLDSWCYFJPX-NRFANRHFSA-N 1 1 408.586 5.070 40 0 HKABMO CCCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044851643 520474526 /nfs/dbraw/zinc/47/45/26/520474526.db2.gz KUVDLDSWCYFJPX-OAQYLSRUSA-N 1 1 408.586 5.070 40 0 HKABMO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855277 569352027 /nfs/dbraw/zinc/35/20/27/569352027.db2.gz QQZHQQHBXOESPU-WMZHIEFXSA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855278 569352012 /nfs/dbraw/zinc/35/20/12/569352012.db2.gz QQZHQQHBXOESPU-CVDCTZTESA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044855427 569352003 /nfs/dbraw/zinc/35/20/03/569352003.db2.gz UBJHGPYOOZQIBJ-CVDCTZTESA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044855428 569351985 /nfs/dbraw/zinc/35/19/85/569351985.db2.gz UBJHGPYOOZQIBJ-WMZHIEFXSA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000044856359 525690139 /nfs/dbraw/zinc/69/01/39/525690139.db2.gz STTLQWAZWZHENR-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000044856360 525886700 /nfs/dbraw/zinc/88/67/00/525886700.db2.gz STTLQWAZWZHENR-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000044856361 525691636 /nfs/dbraw/zinc/69/16/36/525691636.db2.gz YSJVSHHVLCRZSE-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000044856362 525886221 /nfs/dbraw/zinc/88/62/21/525886221.db2.gz YSJVSHHVLCRZSE-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000044856363 525690727 /nfs/dbraw/zinc/69/07/27/525690727.db2.gz IPCJBMAZHASMDU-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000044856364 525887008 /nfs/dbraw/zinc/88/70/08/525887008.db2.gz IPCJBMAZHASMDU-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000044856373 525691809 /nfs/dbraw/zinc/69/18/09/525691809.db2.gz DACORYALTVBINE-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000044856374 525885967 /nfs/dbraw/zinc/88/59/67/525885967.db2.gz DACORYALTVBINE-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856529 522364606 /nfs/dbraw/zinc/36/46/06/522364606.db2.gz WPSGNLHLEXWTMX-QHCPKHFHSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856530 522669021 /nfs/dbraw/zinc/66/90/21/522669021.db2.gz WPSGNLHLEXWTMX-HSZRJFAPSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856565 522532073 /nfs/dbraw/zinc/53/20/73/522532073.db2.gz VTHZOTYILVZLNB-MHZLTWQESA-N 1 1 412.577 5.743 40 0 HKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856566 522782742 /nfs/dbraw/zinc/78/27/42/522782742.db2.gz VTHZOTYILVZLNB-HHHXNRCGSA-N 1 1 412.577 5.743 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856687 522364954 /nfs/dbraw/zinc/36/49/54/522364954.db2.gz DMYPHZDRAORKDS-QHCPKHFHSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856688 522669572 /nfs/dbraw/zinc/66/95/72/522669572.db2.gz DMYPHZDRAORKDS-HSZRJFAPSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856723 522532380 /nfs/dbraw/zinc/53/23/80/522532380.db2.gz WXWRYKBGUHYHQD-MHZLTWQESA-N 1 1 412.577 5.743 40 0 HKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856724 522782462 /nfs/dbraw/zinc/78/24/62/522782462.db2.gz WXWRYKBGUHYHQD-HHHXNRCGSA-N 1 1 412.577 5.743 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000044904697 527386724 /nfs/dbraw/zinc/38/67/24/527386724.db2.gz SZUJMMUGCGCNFQ-UHFFFAOYSA-N 1 1 413.546 5.403 40 0 HKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044905830 524202758 /nfs/dbraw/zinc/20/27/58/524202758.db2.gz USLWULMKJMQILI-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044905832 524208203 /nfs/dbraw/zinc/20/82/03/524208203.db2.gz USLWULMKJMQILI-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044905834 524201793 /nfs/dbraw/zinc/20/17/93/524201793.db2.gz PEVCKHKBDBVFAB-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044905836 524208682 /nfs/dbraw/zinc/20/86/82/524208682.db2.gz PEVCKHKBDBVFAB-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044905838 524202692 /nfs/dbraw/zinc/20/26/92/524202692.db2.gz IZGMVUPXYVBPSZ-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044905840 524208498 /nfs/dbraw/zinc/20/84/98/524208498.db2.gz IZGMVUPXYVBPSZ-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905989 525138371 /nfs/dbraw/zinc/13/83/71/525138371.db2.gz REZZNYQNGPCGNY-GHTZIAJQSA-N 1 1 413.005 5.727 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905991 525268106 /nfs/dbraw/zinc/26/81/06/525268106.db2.gz REZZNYQNGPCGNY-WIYYLYMNSA-N 1 1 413.005 5.727 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905993 569352064 /nfs/dbraw/zinc/35/20/64/569352064.db2.gz REZZNYQNGPCGNY-RXVVDRJESA-N 1 1 413.005 5.727 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905995 569352092 /nfs/dbraw/zinc/35/20/92/569352092.db2.gz REZZNYQNGPCGNY-NQIIRXRSSA-N 1 1 413.005 5.727 40 0 HKABMO O=C(NCCCc1ccccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044906296 526279337 /nfs/dbraw/zinc/27/93/37/526279337.db2.gz PNUHWCTVBXMHRQ-UHFFFAOYSA-N 1 1 418.968 5.261 40 0 HKABMO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044906429 526272628 /nfs/dbraw/zinc/27/26/28/526272628.db2.gz XLIHTGDFRULCFF-UHFFFAOYSA-N 1 1 418.968 5.261 40 0 HKABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906515 526271820 /nfs/dbraw/zinc/27/18/20/526271820.db2.gz SCLQPZHOXLZROF-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906517 526272670 /nfs/dbraw/zinc/27/26/70/526272670.db2.gz MHVKFDRMMRNVGF-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044906519 526271521 /nfs/dbraw/zinc/27/15/21/526271521.db2.gz IBBVSWJOKURDLP-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044909470 524320168 /nfs/dbraw/zinc/32/01/68/524320168.db2.gz PZZBUOVNECGTHZ-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044909474 524318243 /nfs/dbraw/zinc/31/82/43/524318243.db2.gz CCNJZBKCIKRNHU-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044909478 524320415 /nfs/dbraw/zinc/32/04/15/524320415.db2.gz SUNJGUYIYIJHNF-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044909702 524349454 /nfs/dbraw/zinc/34/94/54/524349454.db2.gz DWYNXHAGZPWPGC-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044909707 524349799 /nfs/dbraw/zinc/34/97/99/524349799.db2.gz PERCYVDVTWEPRS-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044909711 524349935 /nfs/dbraw/zinc/34/99/35/524349935.db2.gz WYCFBTBVZMNNFQ-UHFFFAOYSA-N 1 1 419.396 5.263 40 0 HKABMO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911263 521385966 /nfs/dbraw/zinc/38/59/66/521385966.db2.gz PABIZFVPCZVAST-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911268 521386038 /nfs/dbraw/zinc/38/60/38/521386038.db2.gz FQRYAIXZQRECRK-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO CCOc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911271 521387290 /nfs/dbraw/zinc/38/72/90/521387290.db2.gz ZKXTZPKUFAWWHZ-UHFFFAOYSA-N 1 1 407.341 5.243 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912836 525530120 /nfs/dbraw/zinc/53/01/20/525530120.db2.gz QMWXSOSOKCEUMB-CRAIPNDOSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912836 525530126 /nfs/dbraw/zinc/53/01/26/525530126.db2.gz QMWXSOSOKCEUMB-CRAIPNDOSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912840 524990010 /nfs/dbraw/zinc/99/00/10/524990010.db2.gz QMWXSOSOKCEUMB-MAUKXSAKSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912840 524990021 /nfs/dbraw/zinc/99/00/21/524990021.db2.gz QMWXSOSOKCEUMB-MAUKXSAKSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912844 569352105 /nfs/dbraw/zinc/35/21/05/569352105.db2.gz QMWXSOSOKCEUMB-QAPCUYQASA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912844 569352106 /nfs/dbraw/zinc/35/21/06/569352106.db2.gz QMWXSOSOKCEUMB-QAPCUYQASA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912848 569352054 /nfs/dbraw/zinc/35/20/54/569352054.db2.gz QMWXSOSOKCEUMB-YJBOKZPZSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044912848 569352055 /nfs/dbraw/zinc/35/20/55/569352055.db2.gz QMWXSOSOKCEUMB-YJBOKZPZSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912868 525530406 /nfs/dbraw/zinc/53/04/06/525530406.db2.gz VOLCIMHLHDFNCF-NVXWUHKLSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912868 525530412 /nfs/dbraw/zinc/53/04/12/525530412.db2.gz VOLCIMHLHDFNCF-NVXWUHKLSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912872 524991290 /nfs/dbraw/zinc/99/12/90/524991290.db2.gz VOLCIMHLHDFNCF-DOTOQJQBSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912872 524991301 /nfs/dbraw/zinc/99/13/01/524991301.db2.gz VOLCIMHLHDFNCF-DOTOQJQBSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912876 569352049 /nfs/dbraw/zinc/35/20/49/569352049.db2.gz VOLCIMHLHDFNCF-WBVHZDCISA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912876 569352050 /nfs/dbraw/zinc/35/20/50/569352050.db2.gz VOLCIMHLHDFNCF-WBVHZDCISA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912880 569352075 /nfs/dbraw/zinc/35/20/75/569352075.db2.gz VOLCIMHLHDFNCF-RDJZCZTQSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044912880 569352076 /nfs/dbraw/zinc/35/20/76/569352076.db2.gz VOLCIMHLHDFNCF-RDJZCZTQSA-N 1 1 403.353 5.183 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 ZINC000044915923 524234178 /nfs/dbraw/zinc/23/41/78/524234178.db2.gz WYAROWJYFCXZCH-HXUWFJFHSA-N 1 1 412.533 5.402 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 ZINC000044915927 524095661 /nfs/dbraw/zinc/09/56/61/524095661.db2.gz WYAROWJYFCXZCH-FQEVSTJZSA-N 1 1 412.533 5.402 40 0 HKABMO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044916245 519782764 /nfs/dbraw/zinc/78/27/64/519782764.db2.gz BEWBLPJNSZHNKT-OAQYLSRUSA-N 1 1 408.586 5.068 40 0 HKABMO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044916250 519782747 /nfs/dbraw/zinc/78/27/47/519782747.db2.gz BEWBLPJNSZHNKT-NRFANRHFSA-N 1 1 408.586 5.068 40 0 HKABMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044917059 527246062 /nfs/dbraw/zinc/24/60/62/527246062.db2.gz AOGFYBYDQNIODI-IBGZPJMESA-N 1 1 412.961 5.512 40 0 HKABMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044917064 527244537 /nfs/dbraw/zinc/24/45/37/527244537.db2.gz AOGFYBYDQNIODI-LJQANCHMSA-N 1 1 412.961 5.512 40 0 HKABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044933009 527039878 /nfs/dbraw/zinc/03/98/78/527039878.db2.gz VODWLZTYGVZDKE-QFIPXVFZSA-N 1 1 417.380 5.399 40 0 HKABMO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044933011 526914070 /nfs/dbraw/zinc/91/40/70/526914070.db2.gz VODWLZTYGVZDKE-JOCHJYFZSA-N 1 1 417.380 5.399 40 0 HKABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044933013 527040655 /nfs/dbraw/zinc/04/06/55/527040655.db2.gz ITHJCTAIEGRMQM-QFIPXVFZSA-N 1 1 417.380 5.399 40 0 HKABMO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044933015 526914308 /nfs/dbraw/zinc/91/43/08/526914308.db2.gz ITHJCTAIEGRMQM-JOCHJYFZSA-N 1 1 417.380 5.399 40 0 HKABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044933017 527040019 /nfs/dbraw/zinc/04/00/19/527040019.db2.gz INTGVYHNXJYILR-QFIPXVFZSA-N 1 1 417.380 5.399 40 0 HKABMO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044933019 526914436 /nfs/dbraw/zinc/91/44/36/526914436.db2.gz INTGVYHNXJYILR-JOCHJYFZSA-N 1 1 417.380 5.399 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933151 525311578 /nfs/dbraw/zinc/31/15/78/525311578.db2.gz WPSDYLYZVFCUGS-MAUKXSAKSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933151 525311587 /nfs/dbraw/zinc/31/15/87/525311587.db2.gz WPSDYLYZVFCUGS-MAUKXSAKSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933153 525139043 /nfs/dbraw/zinc/13/90/43/525139043.db2.gz WPSDYLYZVFCUGS-CRAIPNDOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933153 525139051 /nfs/dbraw/zinc/13/90/51/525139051.db2.gz WPSDYLYZVFCUGS-CRAIPNDOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933155 569352098 /nfs/dbraw/zinc/35/20/98/569352098.db2.gz WPSDYLYZVFCUGS-YJBOKZPZSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933155 569352099 /nfs/dbraw/zinc/35/20/99/569352099.db2.gz WPSDYLYZVFCUGS-YJBOKZPZSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933157 569352030 /nfs/dbraw/zinc/35/20/30/569352030.db2.gz WPSDYLYZVFCUGS-QAPCUYQASA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933157 569352031 /nfs/dbraw/zinc/35/20/31/569352031.db2.gz WPSDYLYZVFCUGS-QAPCUYQASA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933167 525311641 /nfs/dbraw/zinc/31/16/41/525311641.db2.gz MYTWDVLCZPIJSW-DOTOQJQBSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933167 525311654 /nfs/dbraw/zinc/31/16/54/525311654.db2.gz MYTWDVLCZPIJSW-DOTOQJQBSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933169 525138779 /nfs/dbraw/zinc/13/87/79/525138779.db2.gz MYTWDVLCZPIJSW-NVXWUHKLSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933169 525138787 /nfs/dbraw/zinc/13/87/87/525138787.db2.gz MYTWDVLCZPIJSW-NVXWUHKLSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933171 569352115 /nfs/dbraw/zinc/35/21/15/569352115.db2.gz MYTWDVLCZPIJSW-RDJZCZTQSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933171 569352116 /nfs/dbraw/zinc/35/21/16/569352116.db2.gz MYTWDVLCZPIJSW-RDJZCZTQSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933173 569352058 /nfs/dbraw/zinc/35/20/58/569352058.db2.gz MYTWDVLCZPIJSW-WBVHZDCISA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933173 569352059 /nfs/dbraw/zinc/35/20/59/569352059.db2.gz MYTWDVLCZPIJSW-WBVHZDCISA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933215 525301891 /nfs/dbraw/zinc/30/18/91/525301891.db2.gz SXZKXDFBHYQWDL-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933217 525130737 /nfs/dbraw/zinc/13/07/37/525130737.db2.gz SXZKXDFBHYQWDL-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933219 525301758 /nfs/dbraw/zinc/30/17/58/525301758.db2.gz VSOUPEQPYGRXSH-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933221 525131598 /nfs/dbraw/zinc/13/15/98/525131598.db2.gz VSOUPEQPYGRXSH-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933223 525302442 /nfs/dbraw/zinc/30/24/42/525302442.db2.gz BBISUUXIACKNNK-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933225 525131991 /nfs/dbraw/zinc/13/19/91/525131991.db2.gz BBISUUXIACKNNK-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933473 525691427 /nfs/dbraw/zinc/69/14/27/525691427.db2.gz IENGWRYSHIUWHY-MRXNPFEDSA-N 1 1 405.369 5.391 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933475 525886148 /nfs/dbraw/zinc/88/61/48/525886148.db2.gz IENGWRYSHIUWHY-INIZCTEOSA-N 1 1 405.369 5.391 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933477 525690901 /nfs/dbraw/zinc/69/09/01/525690901.db2.gz JVMXBSDBIANLDI-MRXNPFEDSA-N 1 1 405.369 5.391 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933479 525885951 /nfs/dbraw/zinc/88/59/51/525885951.db2.gz JVMXBSDBIANLDI-INIZCTEOSA-N 1 1 405.369 5.391 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933481 525690576 /nfs/dbraw/zinc/69/05/76/525690576.db2.gz RVAJBFAJPVFQAP-MRXNPFEDSA-N 1 1 405.369 5.391 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933483 525885935 /nfs/dbraw/zinc/88/59/35/525885935.db2.gz RVAJBFAJPVFQAP-INIZCTEOSA-N 1 1 405.369 5.391 40 0 HKABMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044933878 521222293 /nfs/dbraw/zinc/22/22/93/521222293.db2.gz FSAVPHWIRKWHAV-HXUWFJFHSA-N 1 1 414.549 5.135 40 0 HKABMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044933881 521256471 /nfs/dbraw/zinc/25/64/71/521256471.db2.gz FSAVPHWIRKWHAV-FQEVSTJZSA-N 1 1 414.549 5.135 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934025 525137864 /nfs/dbraw/zinc/13/78/64/525137864.db2.gz AREAQPWKKBKVBK-WMLDXEAASA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934025 525137876 /nfs/dbraw/zinc/13/78/76/525137876.db2.gz AREAQPWKKBKVBK-WMLDXEAASA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934028 525266968 /nfs/dbraw/zinc/26/69/68/525266968.db2.gz AREAQPWKKBKVBK-RHSMWYFYSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934028 525266978 /nfs/dbraw/zinc/26/69/78/525266978.db2.gz AREAQPWKKBKVBK-RHSMWYFYSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934031 560861598 /nfs/dbraw/zinc/86/15/98/560861598.db2.gz AREAQPWKKBKVBK-YOEHRIQHSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934031 560861600 /nfs/dbraw/zinc/86/16/00/560861600.db2.gz AREAQPWKKBKVBK-YOEHRIQHSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934033 560861586 /nfs/dbraw/zinc/86/15/86/560861586.db2.gz AREAQPWKKBKVBK-PBHICJAKSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934033 560861589 /nfs/dbraw/zinc/86/15/89/560861589.db2.gz AREAQPWKKBKVBK-PBHICJAKSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934048 525137735 /nfs/dbraw/zinc/13/77/35/525137735.db2.gz HKPLWVPMWGAJEO-GOEBONIOSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934048 525137742 /nfs/dbraw/zinc/13/77/42/525137742.db2.gz HKPLWVPMWGAJEO-GOEBONIOSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934050 525267834 /nfs/dbraw/zinc/26/78/34/525267834.db2.gz HKPLWVPMWGAJEO-GDBMZVCRSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934050 525267840 /nfs/dbraw/zinc/26/78/40/525267840.db2.gz HKPLWVPMWGAJEO-GDBMZVCRSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934053 560861624 /nfs/dbraw/zinc/86/16/24/560861624.db2.gz HKPLWVPMWGAJEO-HOCLYGCPSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934053 560861625 /nfs/dbraw/zinc/86/16/25/560861625.db2.gz HKPLWVPMWGAJEO-HOCLYGCPSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934056 560861618 /nfs/dbraw/zinc/86/16/18/560861618.db2.gz HKPLWVPMWGAJEO-ZBFHGGJFSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934056 560861619 /nfs/dbraw/zinc/86/16/19/560861619.db2.gz HKPLWVPMWGAJEO-ZBFHGGJFSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000044934157 524911379 /nfs/dbraw/zinc/91/13/79/524911379.db2.gz BCRKPNAJIZGMFA-AWEZNQCLSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000044934160 525069667 /nfs/dbraw/zinc/06/96/67/525069667.db2.gz BCRKPNAJIZGMFA-CQSZACIVSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934163 524910862 /nfs/dbraw/zinc/91/08/62/524910862.db2.gz MCXRZRORBMVINZ-AWEZNQCLSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934166 525069006 /nfs/dbraw/zinc/06/90/06/525069006.db2.gz MCXRZRORBMVINZ-CQSZACIVSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934169 524911894 /nfs/dbraw/zinc/91/18/94/524911894.db2.gz FTFIHCMGVHOQQW-AWEZNQCLSA-N 1 1 409.332 5.222 40 0 HKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934172 525069718 /nfs/dbraw/zinc/06/97/18/525069718.db2.gz FTFIHCMGVHOQQW-CQSZACIVSA-N 1 1 409.332 5.222 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044934914 525690301 /nfs/dbraw/zinc/69/03/01/525690301.db2.gz RGUJFYVXHRKRJL-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044934917 525886753 /nfs/dbraw/zinc/88/67/53/525886753.db2.gz RGUJFYVXHRKRJL-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044934919 525691856 /nfs/dbraw/zinc/69/18/56/525691856.db2.gz QFIWUUZNNDOWIX-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044934922 525885893 /nfs/dbraw/zinc/88/58/93/525885893.db2.gz QFIWUUZNNDOWIX-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044934925 525690237 /nfs/dbraw/zinc/69/02/37/525690237.db2.gz PGUIPJVMSGDVLA-QGZVFWFLSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044934928 525886880 /nfs/dbraw/zinc/88/68/80/525886880.db2.gz PGUIPJVMSGDVLA-KRWDZBQOSA-N 1 1 419.396 5.700 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000044934955 525691755 /nfs/dbraw/zinc/69/17/55/525691755.db2.gz YJJTXJIECFNJQR-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000044934958 525885693 /nfs/dbraw/zinc/88/56/93/525885693.db2.gz YJJTXJIECFNJQR-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 ZINC000044935763 522366403 /nfs/dbraw/zinc/36/64/03/522366403.db2.gz WYARVXSLYMVORB-QFIPXVFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 ZINC000044935766 522668062 /nfs/dbraw/zinc/66/80/62/522668062.db2.gz WYARVXSLYMVORB-JOCHJYFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044935769 522365494 /nfs/dbraw/zinc/36/54/94/522365494.db2.gz CAVPRYSGQLAESK-QFIPXVFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044935772 522668663 /nfs/dbraw/zinc/66/86/63/522668663.db2.gz CAVPRYSGQLAESK-JOCHJYFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935775 522365727 /nfs/dbraw/zinc/36/57/27/522365727.db2.gz VRXNIKQEBQRREJ-QFIPXVFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935778 522669324 /nfs/dbraw/zinc/66/93/24/522669324.db2.gz VRXNIKQEBQRREJ-JOCHJYFZSA-N 1 1 419.396 5.781 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935803 522365753 /nfs/dbraw/zinc/36/57/53/522365753.db2.gz GXBAMUMPAOMHGN-QFIPXVFZSA-N 1 1 402.941 5.267 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935806 522669454 /nfs/dbraw/zinc/66/94/54/522669454.db2.gz GXBAMUMPAOMHGN-JOCHJYFZSA-N 1 1 402.941 5.267 40 0 HKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936482 522531771 /nfs/dbraw/zinc/53/17/71/522531771.db2.gz YIZBLLGBTGKNPO-SANMLTNESA-N 1 1 414.549 5.135 40 0 HKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936485 522782676 /nfs/dbraw/zinc/78/26/76/522782676.db2.gz YIZBLLGBTGKNPO-AREMUKBSSA-N 1 1 414.549 5.135 40 0 HKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000044936906 519381932 /nfs/dbraw/zinc/38/19/32/519381932.db2.gz GBGLIOGULUAOMU-QHCPKHFHSA-N 1 1 416.968 5.595 40 0 HKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000044936908 519237991 /nfs/dbraw/zinc/23/79/91/519237991.db2.gz GBGLIOGULUAOMU-HSZRJFAPSA-N 1 1 416.968 5.595 40 0 HKABMO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000044937731 569352148 /nfs/dbraw/zinc/35/21/48/569352148.db2.gz OEBLEUHGAQJGLD-KDYSTLNUSA-N 1 1 412.577 5.746 40 0 HKABMO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000044937734 569352133 /nfs/dbraw/zinc/35/21/33/569352133.db2.gz OEBLEUHGAQJGLD-IDISGSTGSA-N 1 1 412.577 5.746 40 0 HKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044938624 521773411 /nfs/dbraw/zinc/77/34/11/521773411.db2.gz QNVCEGCIHBQYBK-UHFFFAOYSA-N 1 1 423.409 5.956 40 0 HKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044938628 521771524 /nfs/dbraw/zinc/77/15/24/521771524.db2.gz PGIHRHMFKADLCF-UHFFFAOYSA-N 1 1 423.409 5.956 40 0 HKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044938632 521773148 /nfs/dbraw/zinc/77/31/48/521773148.db2.gz JIDUQADRTUEYAW-UHFFFAOYSA-N 1 1 423.409 5.956 40 0 HKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044938651 521771503 /nfs/dbraw/zinc/77/15/03/521771503.db2.gz UEOZXMVLSNGTTQ-UHFFFAOYSA-N 1 1 406.954 5.442 40 0 HKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(Cl)c1 ZINC000044940182 521514252 /nfs/dbraw/zinc/51/42/52/521514252.db2.gz YEUREGYNMHRVAH-INIZCTEOSA-N 1 1 414.933 5.001 40 0 HKABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(Cl)c1 ZINC000044940186 521514521 /nfs/dbraw/zinc/51/45/21/521514521.db2.gz YEUREGYNMHRVAH-MRXNPFEDSA-N 1 1 414.933 5.001 40 0 HKABMO c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049590615 291299257 /nfs/dbraw/zinc/29/92/57/291299257.db2.gz JMSUFOLIQHCXDH-QHCPKHFHSA-N 1 1 422.492 5.012 40 0 biogenic,in-vitro HKABMO C[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712668 568495984 /nfs/dbraw/zinc/49/59/84/568495984.db2.gz PMYBOPZPXAHQIR-GOSISDBHSA-N 1 1 403.570 5.674 40 0 HKABMO C[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712668 568495986 /nfs/dbraw/zinc/49/59/86/568495986.db2.gz PMYBOPZPXAHQIR-GOSISDBHSA-N 1 1 403.570 5.674 40 0 HKABMO C[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712674 568495980 /nfs/dbraw/zinc/49/59/80/568495980.db2.gz PMYBOPZPXAHQIR-SFHVURJKSA-N 1 1 403.570 5.674 40 0 HKABMO C[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712674 568495981 /nfs/dbraw/zinc/49/59/81/568495981.db2.gz PMYBOPZPXAHQIR-SFHVURJKSA-N 1 1 403.570 5.674 40 0 HKABMO CC1CC[NH+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 ZINC000057712744 568495974 /nfs/dbraw/zinc/49/59/74/568495974.db2.gz PDJCLORSCKHPAL-UHFFFAOYSA-N 1 1 403.570 5.674 40 0 HKABMO CCOc1ccc2cc(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057718345 568495991 /nfs/dbraw/zinc/49/59/91/568495991.db2.gz PPLMCAKCQLLEBD-HDICACEKSA-N 1 1 405.542 5.021 40 0 HKABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718398 568496198 /nfs/dbraw/zinc/49/61/98/568496198.db2.gz CXUUXRNIKSHXFZ-HDICACEKSA-N 1 1 405.542 5.021 40 0 HKABMO C[N@@H+](c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1)C1CCCCC1 ZINC000057718575 568496207 /nfs/dbraw/zinc/49/62/07/568496207.db2.gz YMYPYRQKPJRHPN-UHFFFAOYSA-N 1 1 401.554 5.398 40 0 HKABMO C[N@H+](c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1)C1CCCCC1 ZINC000057718575 568496209 /nfs/dbraw/zinc/49/62/09/568496209.db2.gz YMYPYRQKPJRHPN-UHFFFAOYSA-N 1 1 401.554 5.398 40 0 HKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1CC1CCCCC1)CC2 ZINC000057719339 558889993 /nfs/dbraw/zinc/88/99/93/558889993.db2.gz DXOOHDCYNDOSKG-UHFFFAOYSA-N 1 1 424.610 5.859 40 0 HKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1CC1CCCCC1)CC2 ZINC000057719339 558889995 /nfs/dbraw/zinc/88/99/95/558889995.db2.gz DXOOHDCYNDOSKG-UHFFFAOYSA-N 1 1 424.610 5.859 40 0 HKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1Cc1ccccc1)CC2 ZINC000057719550 568496183 /nfs/dbraw/zinc/49/61/83/568496183.db2.gz FBOIJMRVZLPPFS-UHFFFAOYSA-N 1 1 418.562 5.327 40 0 HKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1Cc1ccccc1)CC2 ZINC000057719550 568496185 /nfs/dbraw/zinc/49/61/85/568496185.db2.gz FBOIJMRVZLPPFS-UHFFFAOYSA-N 1 1 418.562 5.327 40 0 HKABMO COc1ccc2c(c1)NC1(CC[NH+](Cc3c(F)cccc3Cl)CC1)c1cccn1-2 ZINC000057719975 568496194 /nfs/dbraw/zinc/49/61/94/568496194.db2.gz JDMBMKIMVWCVHZ-UHFFFAOYSA-N 1 1 411.908 5.195 40 0 HKABMO C[C@@H]1CN(Cc2ccccc2F)CC[N@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC000057731463 568496503 /nfs/dbraw/zinc/49/65/03/568496503.db2.gz VWUHOHYUGQNLLV-LJQANCHMSA-N 1 1 401.529 5.177 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740296 568495380 /nfs/dbraw/zinc/49/53/80/568495380.db2.gz DVXJUFRORUULMV-GOSISDBHSA-N 1 1 416.956 5.973 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740303 568495423 /nfs/dbraw/zinc/49/54/23/568495423.db2.gz DVXJUFRORUULMV-SFHVURJKSA-N 1 1 416.956 5.973 40 0 HKABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774456 568497495 /nfs/dbraw/zinc/49/74/95/568497495.db2.gz XWIWNSJKYYQGFI-HNNXBMFYSA-N 1 1 419.447 5.247 40 0 HKABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774457 568497455 /nfs/dbraw/zinc/49/74/55/568497455.db2.gz XWIWNSJKYYQGFI-OAHLLOKOSA-N 1 1 419.447 5.247 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774802 568497403 /nfs/dbraw/zinc/49/74/03/568497403.db2.gz CGJGZEUKMNJJMJ-NOZRDPDXSA-N 1 1 421.629 5.853 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774806 568497438 /nfs/dbraw/zinc/49/74/38/568497438.db2.gz CGJGZEUKMNJJMJ-ZCYQVOJMSA-N 1 1 421.629 5.853 40 0 HKABMO Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1 ZINC000057775323 568497431 /nfs/dbraw/zinc/49/74/31/568497431.db2.gz OYEBMWZIWKDELG-UHFFFAOYSA-N 1 1 419.525 5.035 40 0 HKABMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)n[nH]c1-c1cccs1 ZINC000057775350 558890267 /nfs/dbraw/zinc/89/02/67/558890267.db2.gz DLNGSMQFSBACTF-IYBDPMFKSA-N 1 1 408.571 5.462 40 0 HKABMO Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000057775350 558890269 /nfs/dbraw/zinc/89/02/69/558890269.db2.gz DLNGSMQFSBACTF-IYBDPMFKSA-N 1 1 408.571 5.462 40 0 HKABMO Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000057775350 558890272 /nfs/dbraw/zinc/89/02/72/558890272.db2.gz DLNGSMQFSBACTF-IYBDPMFKSA-N 1 1 408.571 5.462 40 0 HKABMO Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000057775353 558890255 /nfs/dbraw/zinc/89/02/55/558890255.db2.gz DLNGSMQFSBACTF-HOTGVXAUSA-N 1 1 408.571 5.462 40 0 HKABMO Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000057775356 558890172 /nfs/dbraw/zinc/89/01/72/558890172.db2.gz DLNGSMQFSBACTF-HZPDHXFCSA-N 1 1 408.571 5.462 40 0 HKABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](C/C(C)=C\c1ccccc1)Cc1ccccc1O2 ZINC000057775401 569053731 /nfs/dbraw/zinc/05/37/31/569053731.db2.gz FUCAIUUHJNOCSC-FXBPSFAMSA-N 1 1 418.581 5.144 40 0 HKABMO COc1ccc(-c2ccc(CN3CCCC[C@H]3CC[NH+]3CCC(C)CC3)cc2)cc1 ZINC000057775521 569053693 /nfs/dbraw/zinc/05/36/93/569053693.db2.gz GVKWYLOOINKHBB-SANMLTNESA-N 1 1 406.614 5.839 40 0 HKABMO COc1ccc(-c2ccc(CN3CCCC[C@@H]3CC[NH+]3CCC(C)CC3)cc2)cc1 ZINC000057775524 569053765 /nfs/dbraw/zinc/05/37/65/569053765.db2.gz GVKWYLOOINKHBB-AREMUKBSSA-N 1 1 406.614 5.839 40 0 HKABMO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059694950 568710163 /nfs/dbraw/zinc/71/01/63/568710163.db2.gz GVGZPXSTXXXDNX-UHFFFAOYSA-N 1 1 419.956 5.223 40 0 HKABMO O=C(c1ccc(CSCc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059960753 568709546 /nfs/dbraw/zinc/70/95/46/568709546.db2.gz SGFBGINSKXJVOD-UHFFFAOYSA-N 1 1 416.590 5.078 40 0 HKABMO c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000067665274 558754465 /nfs/dbraw/zinc/75/44/65/558754465.db2.gz UMGXHHAKAJMOIQ-UPVQGACJSA-N 1 1 401.506 5.100 40 0 in-vitro HKABMO c1ccc(C[NH+](Cc2ccccc2)[C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000067739246 558992044 /nfs/dbraw/zinc/99/20/44/558992044.db2.gz JPALJJFAMOSJKO-HHHXNRCGSA-N 1 1 404.517 5.681 40 0 HKABMO c1ccc(C[NH+](Cc2ccccc2)[C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000067739247 558992134 /nfs/dbraw/zinc/99/21/34/558992134.db2.gz JPALJJFAMOSJKO-MHZLTWQESA-N 1 1 404.517 5.681 40 0 HKABMO O[C@H]1CCCC[C@H]1[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000068605817 558863942 /nfs/dbraw/zinc/86/39/42/558863942.db2.gz TYXBYAIWRNBADF-WDYNHAJCSA-N 1 1 424.588 5.995 40 0 HKABMO O[C@H]1CCCC[C@@H]1[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000068605821 558863958 /nfs/dbraw/zinc/86/39/58/558863958.db2.gz TYXBYAIWRNBADF-VMPREFPWSA-N 1 1 424.588 5.995 40 0 HKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214547 559168347 /nfs/dbraw/zinc/16/83/47/559168347.db2.gz APBKRMQOYMSBRA-QFIPXVFZSA-N 1 1 409.574 5.816 40 0 HKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214548 559168289 /nfs/dbraw/zinc/16/82/89/559168289.db2.gz APBKRMQOYMSBRA-JOCHJYFZSA-N 1 1 409.574 5.816 40 0 HKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214584 559168344 /nfs/dbraw/zinc/16/83/44/559168344.db2.gz RFZBXWIERCMQNQ-QHCPKHFHSA-N 1 1 423.601 6.206 40 0 HKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214585 559168335 /nfs/dbraw/zinc/16/83/35/559168335.db2.gz RFZBXWIERCMQNQ-HSZRJFAPSA-N 1 1 423.601 6.206 40 0 HKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214704 559168436 /nfs/dbraw/zinc/16/84/36/559168436.db2.gz GWWJUKROMPTCCU-QFIPXVFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214705 559168418 /nfs/dbraw/zinc/16/84/18/559168418.db2.gz GWWJUKROMPTCCU-JOCHJYFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214764 559168473 /nfs/dbraw/zinc/16/84/73/559168473.db2.gz CVSROGPRUMEGQE-QFIPXVFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214765 559168478 /nfs/dbraw/zinc/16/84/78/559168478.db2.gz CVSROGPRUMEGQE-JOCHJYFZSA-N 1 1 409.574 5.960 40 0 HKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214884 559168606 /nfs/dbraw/zinc/16/86/06/559168606.db2.gz XOTYMNDGHAVWSK-QFIPXVFZSA-N 1 1 409.574 5.959 40 0 HKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214885 559168656 /nfs/dbraw/zinc/16/86/56/559168656.db2.gz XOTYMNDGHAVWSK-JOCHJYFZSA-N 1 1 409.574 5.959 40 0 HKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214944 559168579 /nfs/dbraw/zinc/16/85/79/559168579.db2.gz YLPGNVDRCHFSEY-QFIPXVFZSA-N 1 1 409.574 5.959 40 0 HKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214945 559168646 /nfs/dbraw/zinc/16/86/46/559168646.db2.gz YLPGNVDRCHFSEY-JOCHJYFZSA-N 1 1 409.574 5.959 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214967 559168635 /nfs/dbraw/zinc/16/86/35/559168635.db2.gz IUMZVCNXUXNRNG-QFIPXVFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214968 559168563 /nfs/dbraw/zinc/16/85/63/559168563.db2.gz IUMZVCNXUXNRNG-JOCHJYFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215004 559168641 /nfs/dbraw/zinc/16/86/41/559168641.db2.gz MBQYIFKVTRPWOF-QHCPKHFHSA-N 1 1 423.601 6.350 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215005 559168675 /nfs/dbraw/zinc/16/86/75/559168675.db2.gz MBQYIFKVTRPWOF-HSZRJFAPSA-N 1 1 423.601 6.350 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215027 559168764 /nfs/dbraw/zinc/16/87/64/559168764.db2.gz HTPCUERSFNMPIM-QFIPXVFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215028 559168737 /nfs/dbraw/zinc/16/87/37/559168737.db2.gz HTPCUERSFNMPIM-JOCHJYFZSA-N 1 1 409.574 5.960 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215064 559168695 /nfs/dbraw/zinc/16/86/95/559168695.db2.gz OBXQWFBPOWSABJ-QHCPKHFHSA-N 1 1 423.601 6.350 40 0 HKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215065 559168701 /nfs/dbraw/zinc/16/87/01/559168701.db2.gz OBXQWFBPOWSABJ-HSZRJFAPSA-N 1 1 423.601 6.350 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215095 559168716 /nfs/dbraw/zinc/16/87/16/559168716.db2.gz QJCVYZGPSKUYCK-KNQAVFIVSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215096 559168744 /nfs/dbraw/zinc/16/87/44/559168744.db2.gz QJCVYZGPSKUYCK-UGKGYDQZSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215097 559168687 /nfs/dbraw/zinc/16/86/87/559168687.db2.gz QJCVYZGPSKUYCK-DENIHFKCSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215098 559168721 /nfs/dbraw/zinc/16/87/21/559168721.db2.gz QJCVYZGPSKUYCK-SIKLNZKXSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215161 559168732 /nfs/dbraw/zinc/16/87/32/559168732.db2.gz YLNOEWZPHUJGPW-OFNKIYASSA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215162 559168726 /nfs/dbraw/zinc/16/87/26/559168726.db2.gz YLNOEWZPHUJGPW-REWPJTCUSA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215163 559168706 /nfs/dbraw/zinc/16/87/06/559168706.db2.gz YLNOEWZPHUJGPW-NFBKMPQASA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072215164 559168712 /nfs/dbraw/zinc/16/87/12/559168712.db2.gz YLNOEWZPHUJGPW-NZQKXSOJSA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215207 559168754 /nfs/dbraw/zinc/16/87/54/559168754.db2.gz OEMYVDDLKDVNLN-KNQAVFIVSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215208 559168668 /nfs/dbraw/zinc/16/86/68/559168668.db2.gz OEMYVDDLKDVNLN-UGKGYDQZSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215209 559168760 /nfs/dbraw/zinc/16/87/60/559168760.db2.gz OEMYVDDLKDVNLN-DENIHFKCSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072215210 559168854 /nfs/dbraw/zinc/16/88/54/559168854.db2.gz OEMYVDDLKDVNLN-SIKLNZKXSA-N 1 1 409.574 5.959 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215273 559168831 /nfs/dbraw/zinc/16/88/31/559168831.db2.gz ZUWCYXVWOUHCCO-OFNKIYASSA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215274 559168909 /nfs/dbraw/zinc/16/89/09/559168909.db2.gz ZUWCYXVWOUHCCO-REWPJTCUSA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215275 559168893 /nfs/dbraw/zinc/16/88/93/559168893.db2.gz ZUWCYXVWOUHCCO-NFBKMPQASA-N 1 1 423.601 6.349 40 0 HKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072215276 559168876 /nfs/dbraw/zinc/16/88/76/559168876.db2.gz ZUWCYXVWOUHCCO-NZQKXSOJSA-N 1 1 423.601 6.349 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215348 559168838 /nfs/dbraw/zinc/16/88/38/559168838.db2.gz BGZCNRBXNRELBS-QFIPXVFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CC1 ZINC000072215349 559168825 /nfs/dbraw/zinc/16/88/25/559168825.db2.gz BGZCNRBXNRELBS-JOCHJYFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000072215408 559168860 /nfs/dbraw/zinc/16/88/60/559168860.db2.gz LKLGOPVPOTVMGY-QFIPXVFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000072215409 559169017 /nfs/dbraw/zinc/16/90/17/559169017.db2.gz LKLGOPVPOTVMGY-JOCHJYFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215431 559168997 /nfs/dbraw/zinc/16/89/97/559168997.db2.gz RNYWBNLBUCFFHW-QFIPXVFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215432 559169030 /nfs/dbraw/zinc/16/90/30/559169030.db2.gz RNYWBNLBUCFFHW-JOCHJYFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215468 559169050 /nfs/dbraw/zinc/16/90/50/559169050.db2.gz JDMSZGZHLNNEGR-QHCPKHFHSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C1CCC1 ZINC000072215469 559169020 /nfs/dbraw/zinc/16/90/20/559169020.db2.gz JDMSZGZHLNNEGR-HSZRJFAPSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000072215491 559169043 /nfs/dbraw/zinc/16/90/43/559169043.db2.gz WDWSXUHVCFCRTC-QFIPXVFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000072215492 559169055 /nfs/dbraw/zinc/16/90/55/559169055.db2.gz WDWSXUHVCFCRTC-JOCHJYFZSA-N 1 1 407.558 5.713 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000072215528 559169011 /nfs/dbraw/zinc/16/90/11/559169011.db2.gz QGRMGSCLAUZESC-QHCPKHFHSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000072215529 559169008 /nfs/dbraw/zinc/16/90/08/559169008.db2.gz QGRMGSCLAUZESC-HSZRJFAPSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215551 559169014 /nfs/dbraw/zinc/16/90/14/559169014.db2.gz ILGCBPMVGXTRJD-QHCPKHFHSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215552 559169037 /nfs/dbraw/zinc/16/90/37/559169037.db2.gz ILGCBPMVGXTRJD-HSZRJFAPSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215584 559169026 /nfs/dbraw/zinc/16/90/26/559169026.db2.gz RZIGLTZGQONSIA-OAQYLSRUSA-N 1 1 401.595 5.949 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215585 559169046 /nfs/dbraw/zinc/16/90/46/559169046.db2.gz RZIGLTZGQONSIA-NRFANRHFSA-N 1 1 401.595 5.949 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215586 559169023 /nfs/dbraw/zinc/16/90/23/559169023.db2.gz SBWORMDCTVQUAT-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215587 559169058 /nfs/dbraw/zinc/16/90/58/559169058.db2.gz SBWORMDCTVQUAT-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215611 559167976 /nfs/dbraw/zinc/16/79/76/559167976.db2.gz JQIZWDGEGSDSFA-QHCPKHFHSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000072215612 559168004 /nfs/dbraw/zinc/16/80/04/559168004.db2.gz JQIZWDGEGSDSFA-HSZRJFAPSA-N 1 1 421.585 6.103 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215644 559168071 /nfs/dbraw/zinc/16/80/71/559168071.db2.gz SZGAZVURCJZWAN-OAQYLSRUSA-N 1 1 401.595 5.949 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215645 559168094 /nfs/dbraw/zinc/16/80/94/559168094.db2.gz SZGAZVURCJZWAN-NRFANRHFSA-N 1 1 401.595 5.949 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215646 559168136 /nfs/dbraw/zinc/16/81/36/559168136.db2.gz KMOOMOBSZVAQSD-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215647 559168130 /nfs/dbraw/zinc/16/81/30/559168130.db2.gz KMOOMOBSZVAQSD-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215685 559169276 /nfs/dbraw/zinc/16/92/76/559169276.db2.gz PQHYYCHCQJKIFH-OAQYLSRUSA-N 1 1 401.595 5.949 40 0 HKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215686 559169257 /nfs/dbraw/zinc/16/92/57/559169257.db2.gz PQHYYCHCQJKIFH-NRFANRHFSA-N 1 1 401.595 5.949 40 0 HKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215687 559169278 /nfs/dbraw/zinc/16/92/78/559169278.db2.gz CILNYRSNRYYRKX-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215688 559169291 /nfs/dbraw/zinc/16/92/91/559169291.db2.gz CILNYRSNRYYRKX-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215700 559169287 /nfs/dbraw/zinc/16/92/87/559169287.db2.gz WACHZPQBFBQTBN-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215701 559169284 /nfs/dbraw/zinc/16/92/84/559169284.db2.gz WACHZPQBFBQTBN-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215702 559169270 /nfs/dbraw/zinc/16/92/70/559169270.db2.gz OUSAIQCYNGJIPJ-OAQYLSRUSA-N 1 1 401.595 6.091 40 0 HKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215703 559169251 /nfs/dbraw/zinc/16/92/51/559169251.db2.gz OUSAIQCYNGJIPJ-NRFANRHFSA-N 1 1 401.595 6.091 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215704 559169299 /nfs/dbraw/zinc/16/92/99/559169299.db2.gz RNRWWRZIBNYKTO-JOCHJYFZSA-N 1 1 415.622 6.339 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215705 559169247 /nfs/dbraw/zinc/16/92/47/559169247.db2.gz RNRWWRZIBNYKTO-QFIPXVFZSA-N 1 1 415.622 6.339 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215706 559169281 /nfs/dbraw/zinc/16/92/81/559169281.db2.gz TYEALSICYUYGKM-JOCHJYFZSA-N 1 1 415.622 6.483 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215707 559169254 /nfs/dbraw/zinc/16/92/54/559169254.db2.gz TYEALSICYUYGKM-QFIPXVFZSA-N 1 1 415.622 6.483 40 0 HKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215745 559169266 /nfs/dbraw/zinc/16/92/66/559169266.db2.gz CBWFRCUHRYGKHK-OAQYLSRUSA-N 1 1 401.595 5.949 40 0 HKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215746 559169296 /nfs/dbraw/zinc/16/92/96/559169296.db2.gz CBWFRCUHRYGKHK-NRFANRHFSA-N 1 1 401.595 5.949 40 0 HKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215747 559169303 /nfs/dbraw/zinc/16/93/03/559169303.db2.gz ZKKGOMOUZIHGAP-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215748 559169431 /nfs/dbraw/zinc/16/94/31/559169431.db2.gz ZKKGOMOUZIHGAP-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215760 559169448 /nfs/dbraw/zinc/16/94/48/559169448.db2.gz UEQJOQSZGLGWOZ-OAQYLSRUSA-N 1 1 401.595 6.093 40 0 HKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215761 559169356 /nfs/dbraw/zinc/16/93/56/559169356.db2.gz UEQJOQSZGLGWOZ-NRFANRHFSA-N 1 1 401.595 6.093 40 0 HKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215762 559169479 /nfs/dbraw/zinc/16/94/79/559169479.db2.gz LDLQZUFODNTRQY-OAQYLSRUSA-N 1 1 401.595 6.091 40 0 HKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215763 559169410 /nfs/dbraw/zinc/16/94/10/559169410.db2.gz LDLQZUFODNTRQY-NRFANRHFSA-N 1 1 401.595 6.091 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215764 559169375 /nfs/dbraw/zinc/16/93/75/559169375.db2.gz XXJZEGKQCWFINV-JOCHJYFZSA-N 1 1 415.622 6.339 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215765 559169369 /nfs/dbraw/zinc/16/93/69/559169369.db2.gz XXJZEGKQCWFINV-QFIPXVFZSA-N 1 1 415.622 6.339 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215766 559169458 /nfs/dbraw/zinc/16/94/58/559169458.db2.gz KYZQOFNHZDVXNK-JOCHJYFZSA-N 1 1 415.622 6.483 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215767 559169406 /nfs/dbraw/zinc/16/94/06/559169406.db2.gz KYZQOFNHZDVXNK-QFIPXVFZSA-N 1 1 415.622 6.483 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215824 559169397 /nfs/dbraw/zinc/16/93/97/559169397.db2.gz NDYAUYQDFQXWKI-JOCHJYFZSA-N 1 1 409.574 6.338 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215825 559169468 /nfs/dbraw/zinc/16/94/68/559169468.db2.gz NDYAUYQDFQXWKI-QFIPXVFZSA-N 1 1 409.574 6.338 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215826 559169473 /nfs/dbraw/zinc/16/94/73/559169473.db2.gz WZRQOJMCPBDVJC-JOCHJYFZSA-N 1 1 409.574 6.482 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215827 559169363 /nfs/dbraw/zinc/16/93/63/559169363.db2.gz WZRQOJMCPBDVJC-QFIPXVFZSA-N 1 1 409.574 6.482 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215884 559169381 /nfs/dbraw/zinc/16/93/81/559169381.db2.gz NSKMXUWLQCRZEE-JOCHJYFZSA-N 1 1 409.574 6.338 40 0 HKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215885 559169420 /nfs/dbraw/zinc/16/94/20/559169420.db2.gz NSKMXUWLQCRZEE-QFIPXVFZSA-N 1 1 409.574 6.338 40 0 HKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215886 559169426 /nfs/dbraw/zinc/16/94/26/559169426.db2.gz UDNHLCGPKWEALV-JOCHJYFZSA-N 1 1 409.574 6.482 40 0 HKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215887 559169463 /nfs/dbraw/zinc/16/94/63/559169463.db2.gz UDNHLCGPKWEALV-QFIPXVFZSA-N 1 1 409.574 6.482 40 0 HKABMO CC1=C[C@@H](C[NH+](CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320788 560077330 /nfs/dbraw/zinc/07/73/30/560077330.db2.gz HVYDMGZREQLYCH-VABKMULXSA-N 1 1 406.618 5.477 40 0 biogenic,in-vitro HKABMO CC1=C[C@@H](C[NH+](CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320788 560077331 /nfs/dbraw/zinc/07/73/31/560077331.db2.gz HVYDMGZREQLYCH-VABKMULXSA-N 1 1 406.618 5.477 40 0 biogenic,in-vitro HKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)[nH]c2c1 ZINC000072320956 560076994 /nfs/dbraw/zinc/07/69/94/560076994.db2.gz JZRJKMCHULJAKM-FIXSFTCYSA-N 1 1 417.597 5.758 40 0 biogenic,in-vitro HKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)[nH]c2c1 ZINC000072320958 560076955 /nfs/dbraw/zinc/07/69/55/560076955.db2.gz HIUWVUDZECFMFH-JTAQYXEDSA-N 1 1 409.618 5.891 40 0 biogenic,in-vitro HKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)[nH]c21 ZINC000072320971 560077022 /nfs/dbraw/zinc/07/70/22/560077022.db2.gz VSXOCJFQZLURFB-HJOGWXRNSA-N 1 1 401.598 6.058 40 0 biogenic,in-vitro HKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CCCCC4)C=C3C)[nH]c21 ZINC000072320972 560077030 /nfs/dbraw/zinc/07/70/30/560077030.db2.gz KZTOZSHNNTXTQH-HJOGWXRNSA-N 1 1 407.646 6.438 40 0 biogenic,in-vitro HKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)[nH]c21 ZINC000072320977 560077063 /nfs/dbraw/zinc/07/70/63/560077063.db2.gz VTQNUZCDPAOAKQ-VABKMULXSA-N 1 1 402.586 5.453 40 0 biogenic,in-vitro HKABMO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000072321032 560077734 /nfs/dbraw/zinc/07/77/34/560077734.db2.gz QMTNRNUKMQSYCV-WFXMLNOXSA-N 1 1 416.009 5.382 40 0 biogenic,in-vitro HKABMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000072347908 558945216 /nfs/dbraw/zinc/94/52/16/558945216.db2.gz AAMVRGHHYCQQPK-UHFFFAOYSA-N 1 1 424.932 5.016 40 0 HKABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349930 525715257 /nfs/dbraw/zinc/71/52/57/525715257.db2.gz WDKNMRAOPZTDET-QFIPXVFZSA-N 1 1 415.537 5.095 40 0 HKABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349931 558946886 /nfs/dbraw/zinc/94/68/86/558946886.db2.gz WDKNMRAOPZTDET-JOCHJYFZSA-N 1 1 415.537 5.095 40 0 HKABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 ZINC000072349932 559185510 /nfs/dbraw/zinc/18/55/10/559185510.db2.gz YBPZNHKEOJCBRW-QFIPXVFZSA-N 1 1 415.537 5.095 40 0 HKABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 ZINC000072349933 559185524 /nfs/dbraw/zinc/18/55/24/559185524.db2.gz YBPZNHKEOJCBRW-JOCHJYFZSA-N 1 1 415.537 5.095 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349936 559185501 /nfs/dbraw/zinc/18/55/01/559185501.db2.gz ICYJKOOMTDJHQN-QFIPXVFZSA-N 1 1 417.528 5.150 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349937 559185439 /nfs/dbraw/zinc/18/54/39/559185439.db2.gz ICYJKOOMTDJHQN-JOCHJYFZSA-N 1 1 417.528 5.150 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349942 558946979 /nfs/dbraw/zinc/94/69/79/558946979.db2.gz IMDBENBAJWYEJI-QFIPXVFZSA-N 1 1 417.528 5.150 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349943 558946966 /nfs/dbraw/zinc/94/69/66/558946966.db2.gz IMDBENBAJWYEJI-JOCHJYFZSA-N 1 1 417.528 5.150 40 0 HKABMO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350106 558947035 /nfs/dbraw/zinc/94/70/35/558947035.db2.gz LBHPIHNIAWWQDH-GOSISDBHSA-N 1 1 404.476 5.050 40 0 HKABMO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350107 558947063 /nfs/dbraw/zinc/94/70/63/558947063.db2.gz LBHPIHNIAWWQDH-SFHVURJKSA-N 1 1 404.476 5.050 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352288 558948558 /nfs/dbraw/zinc/94/85/58/558948558.db2.gz RRDIKOLNFVXUKF-KRWDZBQOSA-N 1 1 417.578 5.084 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352289 558948552 /nfs/dbraw/zinc/94/85/52/558948552.db2.gz RRDIKOLNFVXUKF-QGZVFWFLSA-N 1 1 417.578 5.084 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352448 558948680 /nfs/dbraw/zinc/94/86/80/558948680.db2.gz WKZPSTNUGHQAIJ-GOSISDBHSA-N 1 1 415.562 5.141 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352449 558948802 /nfs/dbraw/zinc/94/88/02/558948802.db2.gz WKZPSTNUGHQAIJ-SFHVURJKSA-N 1 1 415.562 5.141 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072352490 558948923 /nfs/dbraw/zinc/94/89/23/558948923.db2.gz RMATXIAXRNDATK-GOSISDBHSA-N 1 1 415.562 5.141 40 0 HKABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072352491 558948934 /nfs/dbraw/zinc/94/89/34/558948934.db2.gz RMATXIAXRNDATK-SFHVURJKSA-N 1 1 415.562 5.141 40 0 HKABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353092 558949710 /nfs/dbraw/zinc/94/97/10/558949710.db2.gz AINKQWYRSDDCFE-XMMPIXPASA-N 1 1 424.552 5.172 40 0 HKABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353093 558949621 /nfs/dbraw/zinc/94/96/21/558949621.db2.gz AINKQWYRSDDCFE-DEOSSOPVSA-N 1 1 424.552 5.172 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353200 558949860 /nfs/dbraw/zinc/94/98/60/558949860.db2.gz LNJZHUMVMUCIIT-JOCHJYFZSA-N 1 1 408.525 5.091 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353201 558949874 /nfs/dbraw/zinc/94/98/74/558949874.db2.gz LNJZHUMVMUCIIT-QFIPXVFZSA-N 1 1 408.525 5.091 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353462 558950411 /nfs/dbraw/zinc/95/04/11/558950411.db2.gz MAEKXJYLSHDKNJ-OAQYLSRUSA-N 1 1 418.589 5.302 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353463 558950444 /nfs/dbraw/zinc/95/04/44/558950444.db2.gz MAEKXJYLSHDKNJ-NRFANRHFSA-N 1 1 418.589 5.302 40 0 HKABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354180 558951582 /nfs/dbraw/zinc/95/15/82/558951582.db2.gz UFBIIIJNVMVQDR-LJQANCHMSA-N 1 1 414.475 5.102 40 0 HKABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354180 558951584 /nfs/dbraw/zinc/95/15/84/558951584.db2.gz UFBIIIJNVMVQDR-LJQANCHMSA-N 1 1 414.475 5.102 40 0 HKABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354181 558951616 /nfs/dbraw/zinc/95/16/16/558951616.db2.gz UFBIIIJNVMVQDR-IBGZPJMESA-N 1 1 414.475 5.102 40 0 HKABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354181 558951618 /nfs/dbraw/zinc/95/16/18/558951618.db2.gz UFBIIIJNVMVQDR-IBGZPJMESA-N 1 1 414.475 5.102 40 0 HKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3nccnc3c2)n1 ZINC000072358072 558953716 /nfs/dbraw/zinc/95/37/16/558953716.db2.gz LXQYSHRWPXUIMH-VWLOTQADSA-N 1 1 414.940 5.606 40 0 HKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc3nccnc3c2)n1 ZINC000072358073 558953774 /nfs/dbraw/zinc/95/37/74/558953774.db2.gz LXQYSHRWPXUIMH-RUZDIDTESA-N 1 1 414.940 5.606 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358110 558953792 /nfs/dbraw/zinc/95/37/92/558953792.db2.gz XRMPNKCIOMUDPL-RUZDIDTESA-N 1 1 403.501 5.107 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358111 558953862 /nfs/dbraw/zinc/95/38/62/558953862.db2.gz XRMPNKCIOMUDPL-VWLOTQADSA-N 1 1 403.501 5.107 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358116 558953802 /nfs/dbraw/zinc/95/38/02/558953802.db2.gz JCBMFZFGBPVNII-RUZDIDTESA-N 1 1 419.956 5.621 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358117 558953910 /nfs/dbraw/zinc/95/39/10/558953910.db2.gz JCBMFZFGBPVNII-VWLOTQADSA-N 1 1 419.956 5.621 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358118 558953812 /nfs/dbraw/zinc/95/38/12/558953812.db2.gz JLSGLKQCWUPXDC-RUZDIDTESA-N 1 1 419.956 5.621 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358119 558953888 /nfs/dbraw/zinc/95/38/88/558953888.db2.gz JLSGLKQCWUPXDC-VWLOTQADSA-N 1 1 419.956 5.621 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359047 558954706 /nfs/dbraw/zinc/95/47/06/558954706.db2.gz PKURZKJGPZWNPI-FQEVSTJZSA-N 1 1 420.944 5.135 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359048 558954716 /nfs/dbraw/zinc/95/47/16/558954716.db2.gz PKURZKJGPZWNPI-HXUWFJFHSA-N 1 1 420.944 5.135 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359721 558955350 /nfs/dbraw/zinc/95/53/50/558955350.db2.gz FTAXIIBXSLIIBK-FQEVSTJZSA-N 1 1 420.944 5.135 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359722 558955388 /nfs/dbraw/zinc/95/53/88/558955388.db2.gz FTAXIIBXSLIIBK-HXUWFJFHSA-N 1 1 420.944 5.135 40 0 HKABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000072370357 558956821 /nfs/dbraw/zinc/95/68/21/558956821.db2.gz JMLLOLZGLPCSIP-IBGZPJMESA-N 1 1 415.562 5.016 40 0 HKABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000072370358 558956783 /nfs/dbraw/zinc/95/67/83/558956783.db2.gz JMLLOLZGLPCSIP-LJQANCHMSA-N 1 1 415.562 5.016 40 0 HKABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370701 558957205 /nfs/dbraw/zinc/95/72/05/558957205.db2.gz WYKWYCMITUIUPB-MRXNPFEDSA-N 1 1 413.612 5.013 40 0 HKABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370702 558957222 /nfs/dbraw/zinc/95/72/22/558957222.db2.gz WYKWYCMITUIUPB-INIZCTEOSA-N 1 1 413.612 5.013 40 0 HKABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc32)[nH+]1 ZINC000072372560 558960158 /nfs/dbraw/zinc/96/01/58/558960158.db2.gz CUTSXRYYAINDRN-NRFANRHFSA-N 1 1 415.522 5.116 40 0 HKABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccc3ncccc32)[nH+]1 ZINC000072372561 558960056 /nfs/dbraw/zinc/96/00/56/558960056.db2.gz CUTSXRYYAINDRN-OAQYLSRUSA-N 1 1 415.522 5.116 40 0 HKABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)[nH+]1 ZINC000072372674 558960390 /nfs/dbraw/zinc/96/03/90/558960390.db2.gz FIBMVRSZSQCAJB-QHCPKHFHSA-N 1 1 418.516 5.354 40 0 HKABMO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)[nH+]1 ZINC000072372675 558960410 /nfs/dbraw/zinc/96/04/10/558960410.db2.gz FIBMVRSZSQCAJB-HSZRJFAPSA-N 1 1 418.516 5.354 40 0 HKABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)[nH+]1 ZINC000072372676 558960384 /nfs/dbraw/zinc/96/03/84/558960384.db2.gz ZOKRVBQKLCZQCB-NRFANRHFSA-N 1 1 424.545 5.416 40 0 HKABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)[nH+]1 ZINC000072372677 558960380 /nfs/dbraw/zinc/96/03/80/558960380.db2.gz ZOKRVBQKLCZQCB-OAQYLSRUSA-N 1 1 424.545 5.416 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372710 558960647 /nfs/dbraw/zinc/96/06/47/558960647.db2.gz DQNLRFZMJCMSMB-QHCPKHFHSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372710 558960650 /nfs/dbraw/zinc/96/06/50/558960650.db2.gz DQNLRFZMJCMSMB-QHCPKHFHSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372711 558960582 /nfs/dbraw/zinc/96/05/82/558960582.db2.gz DQNLRFZMJCMSMB-HSZRJFAPSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372711 558960583 /nfs/dbraw/zinc/96/05/83/558960583.db2.gz DQNLRFZMJCMSMB-HSZRJFAPSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cc(Nc3nccs3)cc(C)[nH+]2)cc1 ZINC000072372720 558960688 /nfs/dbraw/zinc/96/06/88/558960688.db2.gz SSBYSAXAXMVTKU-OAQYLSRUSA-N 1 1 420.582 5.540 40 0 HKABMO Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cc(Nc3nccs3)cc(C)[nH+]2)cc1 ZINC000072372721 558960682 /nfs/dbraw/zinc/96/06/82/558960682.db2.gz SSBYSAXAXMVTKU-NRFANRHFSA-N 1 1 420.582 5.540 40 0 HKABMO Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374141 558961508 /nfs/dbraw/zinc/96/15/08/558961508.db2.gz AQJLNIXVZNMDIP-JOCHJYFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1c(C[N@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C ZINC000072374142 558961476 /nfs/dbraw/zinc/96/14/76/558961476.db2.gz AQJLNIXVZNMDIP-QFIPXVFZSA-N 1 1 414.475 5.070 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374809 558962792 /nfs/dbraw/zinc/96/27/92/558962792.db2.gz ZZKVGBNZZRTVJR-HSZRJFAPSA-N 1 1 420.576 5.504 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374810 558962715 /nfs/dbraw/zinc/96/27/15/558962715.db2.gz ZZKVGBNZZRTVJR-QHCPKHFHSA-N 1 1 420.576 5.504 40 0 HKABMO Cc1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375357 558964035 /nfs/dbraw/zinc/96/40/35/558964035.db2.gz PADCOQFEVOFYFF-NRFANRHFSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375358 558964061 /nfs/dbraw/zinc/96/40/61/558964061.db2.gz PADCOQFEVOFYFF-OAQYLSRUSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375359 558964043 /nfs/dbraw/zinc/96/40/43/558964043.db2.gz BHOBXWUIARXLEN-NRFANRHFSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375360 558963952 /nfs/dbraw/zinc/96/39/52/558963952.db2.gz BHOBXWUIARXLEN-OAQYLSRUSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)s1 ZINC000072375741 558964689 /nfs/dbraw/zinc/96/46/89/558964689.db2.gz OSQVHLCXTXCXOU-NRFANRHFSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cccc4ncccc34)n2)s1 ZINC000072375742 558964580 /nfs/dbraw/zinc/96/45/80/558964580.db2.gz OSQVHLCXTXCXOU-OAQYLSRUSA-N 1 1 401.539 5.475 40 0 HKABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375781 558964587 /nfs/dbraw/zinc/96/45/87/558964587.db2.gz GJTIPZMEYYYBPG-OAQYLSRUSA-N 1 1 412.541 5.130 40 0 HKABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375782 558964639 /nfs/dbraw/zinc/96/46/39/558964639.db2.gz GJTIPZMEYYYBPG-NRFANRHFSA-N 1 1 412.541 5.130 40 0 HKABMO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375785 558964647 /nfs/dbraw/zinc/96/46/47/558964647.db2.gz OLVCIHXRVOKHSX-OAQYLSRUSA-N 1 1 412.541 5.130 40 0 HKABMO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375786 558964675 /nfs/dbraw/zinc/96/46/75/558964675.db2.gz OLVCIHXRVOKHSX-NRFANRHFSA-N 1 1 412.541 5.130 40 0 HKABMO Cc1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375787 558964592 /nfs/dbraw/zinc/96/45/92/558964592.db2.gz SQHMBABOJXWSPJ-LJQANCHMSA-N 1 1 418.570 5.192 40 0 HKABMO Cc1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3c(C)nc4c(C)cccn34)n2)n1 ZINC000072375788 558964643 /nfs/dbraw/zinc/96/46/43/558964643.db2.gz SQHMBABOJXWSPJ-IBGZPJMESA-N 1 1 418.570 5.192 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375799 558964604 /nfs/dbraw/zinc/96/46/04/558964604.db2.gz WIFSCEGMGWHVIL-QFIPXVFZSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375800 558964620 /nfs/dbraw/zinc/96/46/20/558964620.db2.gz WIFSCEGMGWHVIL-JOCHJYFZSA-N 1 1 404.562 5.260 40 0 HKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375801 558964826 /nfs/dbraw/zinc/96/48/26/558964826.db2.gz WRPFEYVMCRERBK-FQEVSTJZSA-N 1 1 410.591 5.321 40 0 HKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3c(C)nn(C(C)C)c3C)n2)s1 ZINC000072375802 558964845 /nfs/dbraw/zinc/96/48/45/558964845.db2.gz WRPFEYVMCRERBK-HXUWFJFHSA-N 1 1 410.591 5.321 40 0 HKABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377289 558966723 /nfs/dbraw/zinc/96/67/23/558966723.db2.gz WZXARPNQEVDIPW-QFIPXVFZSA-N 1 1 401.489 5.073 40 0 HKABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377290 558966684 /nfs/dbraw/zinc/96/66/84/558966684.db2.gz WZXARPNQEVDIPW-JOCHJYFZSA-N 1 1 401.489 5.073 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2ccc(C)cc2OC)n1 ZINC000072390645 558970837 /nfs/dbraw/zinc/97/08/37/558970837.db2.gz LPIAXFBGEOJSHP-QHCPKHFHSA-N 1 1 416.569 5.535 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2ccc(C)cc2OC)n1 ZINC000072390646 558970858 /nfs/dbraw/zinc/97/08/58/558970858.db2.gz LPIAXFBGEOJSHP-HSZRJFAPSA-N 1 1 416.569 5.535 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2OC)n1 ZINC000072390691 558970850 /nfs/dbraw/zinc/97/08/50/558970850.db2.gz KQGOXIQFDIRMGT-QHCPKHFHSA-N 1 1 416.569 5.535 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2cccc(C)c2OC)n1 ZINC000072390692 558970768 /nfs/dbraw/zinc/97/07/68/558970768.db2.gz KQGOXIQFDIRMGT-HSZRJFAPSA-N 1 1 416.569 5.535 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@@H]2CCCC[N@H+]2Cc2cc(C)ccc2OC)n1 ZINC000072390693 558970794 /nfs/dbraw/zinc/97/07/94/558970794.db2.gz SJTYLSQSPACOMM-QHCPKHFHSA-N 1 1 416.569 5.535 40 0 HKABMO CCCc1ncc(-c2ccncc2)c([C@H]2CCCC[N@H+]2Cc2cc(C)ccc2OC)n1 ZINC000072390694 558970827 /nfs/dbraw/zinc/97/08/27/558970827.db2.gz SJTYLSQSPACOMM-HSZRJFAPSA-N 1 1 416.569 5.535 40 0 HKABMO Cc1sc2c([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390983 558970927 /nfs/dbraw/zinc/97/09/27/558970927.db2.gz MNFWJMKPJRSCGI-HXUWFJFHSA-N 1 1 422.598 5.282 40 0 HKABMO Cc1sc2c([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390984 558970913 /nfs/dbraw/zinc/97/09/13/558970913.db2.gz MNFWJMKPJRSCGI-FQEVSTJZSA-N 1 1 422.598 5.282 40 0 HKABMO Fc1cccc(-c2nc3c(s2)C[N@H+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000072392030 558971891 /nfs/dbraw/zinc/97/18/91/558971891.db2.gz LTPICYNQUVNOFJ-UHFFFAOYSA-N 1 1 418.497 5.090 40 0 HKABMO Fc1cccc(-c2nc3c(s2)C[N@@H+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000072392030 558971895 /nfs/dbraw/zinc/97/18/95/558971895.db2.gz LTPICYNQUVNOFJ-UHFFFAOYSA-N 1 1 418.497 5.090 40 0 HKABMO COc1cccc(-c2nc3c(s2)C[N@H+](Cc2cc4cccc(OC)c4o2)CC3)c1 ZINC000072392046 558971966 /nfs/dbraw/zinc/97/19/66/558971966.db2.gz PPMRNNGBAYOZKX-UHFFFAOYSA-N 1 1 406.507 5.132 40 0 HKABMO COc1cccc(-c2nc3c(s2)C[N@@H+](Cc2cc4cccc(OC)c4o2)CC3)c1 ZINC000072392046 558971968 /nfs/dbraw/zinc/97/19/68/558971968.db2.gz PPMRNNGBAYOZKX-UHFFFAOYSA-N 1 1 406.507 5.132 40 0 HKABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000072393635 558973065 /nfs/dbraw/zinc/97/30/65/558973065.db2.gz NRSVGCNLNNHISB-BXQQJGBQSA-N 1 1 407.533 5.014 40 0 HKABMO FC(F)(F)c1[nH]c2ncccc2c1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000072393705 558972935 /nfs/dbraw/zinc/97/29/35/558972935.db2.gz OQEHNFLJRZWLFL-UHFFFAOYSA-N 1 1 410.443 5.222 40 0 HKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398590 558975980 /nfs/dbraw/zinc/97/59/80/558975980.db2.gz LBQAWOAUZJZLPY-QMNSUMBQSA-N 1 1 405.586 5.101 40 0 HKABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398591 558976052 /nfs/dbraw/zinc/97/60/52/558976052.db2.gz LBQAWOAUZJZLPY-XMGXTHMBSA-N 1 1 405.586 5.101 40 0 HKABMO C[C@@H](CC[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398594 558975927 /nfs/dbraw/zinc/97/59/27/558975927.db2.gz PLPUHLFQJZSMBX-SSPYTLHUSA-N 1 1 407.602 5.191 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398595 558975989 /nfs/dbraw/zinc/97/59/89/558975989.db2.gz PLPUHLFQJZSMBX-SFLYRZDNSA-N 1 1 407.602 5.191 40 0 HKABMO Oc1ccc(Cl)cc1-c1ccnn1C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000075629675 526347350 /nfs/dbraw/zinc/34/73/50/526347350.db2.gz MAOKFVDWJYFJAC-UHFFFAOYSA-N 1 1 415.924 5.555 40 0 HKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)[nH]c21 ZINC000077262097 291290325 /nfs/dbraw/zinc/29/03/25/291290325.db2.gz DTEWDOZBJNXZKU-SDHOMARFSA-N 1 1 419.657 6.390 40 0 biogenic,in-vitro HKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccn4)C=C3C)[nH]c2c1 ZINC000077262135 291295598 /nfs/dbraw/zinc/29/55/98/291295598.db2.gz OQHGIRZNSZXTQS-JTAQYXEDSA-N 1 1 418.585 5.153 40 0 biogenic,in-vitro HKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4F)C=C3C)[nH]c21 ZINC000077262176 291290597 /nfs/dbraw/zinc/29/05/97/291290597.db2.gz QYZLKNCISDIAQO-VABKMULXSA-N 1 1 419.588 6.197 40 0 biogenic,in-vitro HKABMO CC(=O)Oc1c(C)cc(C)cc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC(C)=O ZINC000090367255 559068427 /nfs/dbraw/zinc/06/84/27/559068427.db2.gz YNWBLNJCCJYDRA-UHFFFAOYSA-N 1 1 424.324 5.093 40 0 HKABMO CC(=O)Oc1c(C)cc(C)cc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC(C)=O ZINC000090367255 559068429 /nfs/dbraw/zinc/06/84/29/559068429.db2.gz YNWBLNJCCJYDRA-UHFFFAOYSA-N 1 1 424.324 5.093 40 0 HKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096214561 559101710 /nfs/dbraw/zinc/10/17/10/559101710.db2.gz WXZDHUDJEOSWAH-HSZRJFAPSA-N 1 1 417.380 5.193 40 0 HKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096214562 559101730 /nfs/dbraw/zinc/10/17/30/559101730.db2.gz WXZDHUDJEOSWAH-QHCPKHFHSA-N 1 1 417.380 5.193 40 0 HKABMO COc1cccc(Nc2ccc3c([C@H]4CCC[N@@H+]4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267962 559108405 /nfs/dbraw/zinc/10/84/05/559108405.db2.gz JRWNGXYBDBDDLW-HSZRJFAPSA-N 1 1 413.525 5.127 40 0 HKABMO COc1cccc(Nc2ccc3c([C@H]4CCC[N@H+]4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267962 559108407 /nfs/dbraw/zinc/10/84/07/559108407.db2.gz JRWNGXYBDBDDLW-HSZRJFAPSA-N 1 1 413.525 5.127 40 0 HKABMO COc1cccc(Nc2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267963 559108429 /nfs/dbraw/zinc/10/84/29/559108429.db2.gz JRWNGXYBDBDDLW-QHCPKHFHSA-N 1 1 413.525 5.127 40 0 HKABMO COc1cccc(Nc2ccc3c([C@@H]4CCC[N@H+]4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267963 559108431 /nfs/dbraw/zinc/10/84/31/559108431.db2.gz JRWNGXYBDBDDLW-QHCPKHFHSA-N 1 1 413.525 5.127 40 0 HKABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000096315931 559109588 /nfs/dbraw/zinc/10/95/88/559109588.db2.gz NHAKTQIUTYCJTP-QFIPXVFZSA-N 1 1 419.573 5.275 40 0 HKABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1C ZINC000096315932 559109629 /nfs/dbraw/zinc/10/96/29/559109629.db2.gz NHAKTQIUTYCJTP-JOCHJYFZSA-N 1 1 419.573 5.275 40 0 HKABMO O=C(C[NH+]1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000096399897 569049562 /nfs/dbraw/zinc/04/95/62/569049562.db2.gz IFAGTGSSDRZZGP-CIKANIEGSA-N 1 1 413.565 5.296 40 0 HKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627140 559111731 /nfs/dbraw/zinc/11/17/31/559111731.db2.gz SKUOIQOQRKKGSP-HNNXBMFYSA-N 1 1 412.839 5.089 40 0 HKABMO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627141 559111696 /nfs/dbraw/zinc/11/16/96/559111696.db2.gz SKUOIQOQRKKGSP-OAHLLOKOSA-N 1 1 412.839 5.089 40 0 HKABMO O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627170 559111727 /nfs/dbraw/zinc/11/17/27/559111727.db2.gz KAYJTSMNQCQASC-FQEVSTJZSA-N 1 1 411.977 5.181 40 0 HKABMO O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627171 559111717 /nfs/dbraw/zinc/11/17/17/559111717.db2.gz KAYJTSMNQCQASC-HXUWFJFHSA-N 1 1 411.977 5.181 40 0 HKABMO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000113952042 559183005 /nfs/dbraw/zinc/18/30/05/559183005.db2.gz NRBLKYJXUJOPQA-UHFFFAOYSA-N 1 1 409.382 5.566 40 0 HKABMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000113952285 559183015 /nfs/dbraw/zinc/18/30/15/559183015.db2.gz DWYCITAJDWORRK-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000113952525 559182991 /nfs/dbraw/zinc/18/29/91/559182991.db2.gz ADCWECVAGZWHRV-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000113952785 559182979 /nfs/dbraw/zinc/18/29/79/559182979.db2.gz YNLWFWHIXVMFBF-UHFFFAOYSA-N 1 1 411.760 5.175 40 0 HKABMO COc1ccc(-c2cccc(C[N@@H+](Cc3ccccc3)C3CCN(C)CC3)c2)cc1 ZINC000141529168 571132126 /nfs/dbraw/zinc/13/21/26/571132126.db2.gz QEFILZVFAGUCHI-UHFFFAOYSA-N 1 1 400.566 5.459 40 0 HKABMO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000141536187 569354597 /nfs/dbraw/zinc/35/45/97/569354597.db2.gz LPPHXYRFLUTCPM-IBGZPJMESA-N 1 1 403.570 5.649 40 0 HKABMO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000141536387 569354589 /nfs/dbraw/zinc/35/45/89/569354589.db2.gz LPPHXYRFLUTCPM-LJQANCHMSA-N 1 1 403.570 5.649 40 0 HKABMO CC1CCN(c2ccc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)cc2)CC1 ZINC000141539315 569354617 /nfs/dbraw/zinc/35/46/17/569354617.db2.gz BFOYALJUHGYBOC-NRFANRHFSA-N 1 1 405.586 5.550 40 0 HKABMO CC1CCN(c2ccc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)cc2)CC1 ZINC000141539496 569354603 /nfs/dbraw/zinc/35/46/03/569354603.db2.gz BFOYALJUHGYBOC-OAQYLSRUSA-N 1 1 405.586 5.550 40 0 HKABMO C[NH+](C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000141547638 569354724 /nfs/dbraw/zinc/35/47/24/569354724.db2.gz FRPSKCSJBNSQMF-NRFANRHFSA-N 1 1 421.953 5.858 40 0 HKABMO C[NH+](C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000141547814 569354747 /nfs/dbraw/zinc/35/47/47/569354747.db2.gz FRPSKCSJBNSQMF-OAQYLSRUSA-N 1 1 421.953 5.858 40 0 HKABMO Cc1cccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)[NH+](C)C)c3)nc12 ZINC000141548027 569354771 /nfs/dbraw/zinc/35/47/71/569354771.db2.gz VYTOKBUGNFDMLK-JOCHJYFZSA-N 1 1 418.928 5.205 40 0 HKABMO Cc1cccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)[NH+](C)C)c3)nc12 ZINC000141548211 569354817 /nfs/dbraw/zinc/35/48/17/569354817.db2.gz VYTOKBUGNFDMLK-QFIPXVFZSA-N 1 1 418.928 5.205 40 0 HKABMO Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)[NH+](C)C)c3)nc2c1 ZINC000141548384 569354720 /nfs/dbraw/zinc/35/47/20/569354720.db2.gz FYLSLPAMNUBBQY-HSZRJFAPSA-N 1 1 418.928 5.205 40 0 HKABMO Cc1ccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)[NH+](C)C)c3)nc2c1 ZINC000141548592 569354795 /nfs/dbraw/zinc/35/47/95/569354795.db2.gz FYLSLPAMNUBBQY-QHCPKHFHSA-N 1 1 418.928 5.205 40 0 HKABMO Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)c2c1 ZINC000141564732 569354954 /nfs/dbraw/zinc/35/49/54/569354954.db2.gz VDTOXDJPICRRFB-FQEVSTJZSA-N 1 1 417.553 5.244 40 0 HKABMO Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)c2c1 ZINC000141564929 569354878 /nfs/dbraw/zinc/35/48/78/569354878.db2.gz VDTOXDJPICRRFB-HXUWFJFHSA-N 1 1 417.553 5.244 40 0 HKABMO Cc1cc2ncn(CCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)c2cc1C ZINC000141576409 569354924 /nfs/dbraw/zinc/35/49/24/569354924.db2.gz YKHMRTLZLVCBEE-FQEVSTJZSA-N 1 1 404.558 5.056 40 0 HKABMO Cc1cc2ncn(CCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)c2cc1C ZINC000141576602 569354860 /nfs/dbraw/zinc/35/48/60/569354860.db2.gz YKHMRTLZLVCBEE-HXUWFJFHSA-N 1 1 404.558 5.056 40 0 HKABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141576987 569354943 /nfs/dbraw/zinc/35/49/43/569354943.db2.gz INHKZFLYOYQPJG-CQSZACIVSA-N 1 1 416.447 5.208 40 0 HKABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141577191 569354902 /nfs/dbraw/zinc/35/49/02/569354902.db2.gz INHKZFLYOYQPJG-AWEZNQCLSA-N 1 1 416.447 5.208 40 0 HKABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141583813 569354856 /nfs/dbraw/zinc/35/48/56/569354856.db2.gz KZJJYUHPPMHCQR-MRXNPFEDSA-N 1 1 409.917 5.622 40 0 HKABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141584007 569354933 /nfs/dbraw/zinc/35/49/33/569354933.db2.gz KZJJYUHPPMHCQR-INIZCTEOSA-N 1 1 409.917 5.622 40 0 HKABMO C[N@@H+](CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1 ZINC000205895184 568440667 /nfs/dbraw/zinc/44/06/67/568440667.db2.gz HCWMMJROAJNTCM-UHFFFAOYSA-N 1 1 400.551 5.623 40 0 HKABMO Cc1ccc([C@H](NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC000216152003 568463462 /nfs/dbraw/zinc/46/34/62/568463462.db2.gz KUXDYOVTSDCGFH-AJTFRIOCSA-N 1 1 412.577 5.746 40 0 HKABMO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216232392 568463761 /nfs/dbraw/zinc/46/37/61/568463761.db2.gz OEBLEUHGAQJGLD-ZBLYBZFDSA-N 1 1 412.577 5.746 40 0 HKABMO Cc1ccccc1[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216232440 568463744 /nfs/dbraw/zinc/46/37/44/568463744.db2.gz OEBLEUHGAQJGLD-JIPXPUAJSA-N 1 1 412.577 5.746 40 0 HKABMO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000216302333 568464236 /nfs/dbraw/zinc/46/42/36/568464236.db2.gz KESIYPJTCPADMY-UHFFFAOYSA-N 1 1 404.941 5.171 40 0 HKABMO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238337 568488284 /nfs/dbraw/zinc/48/82/84/568488284.db2.gz QQZHQQHBXOESPU-XXBNENTESA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238396 568488349 /nfs/dbraw/zinc/48/83/49/568488349.db2.gz QQZHQQHBXOESPU-AUSIDOKSSA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238504 568488239 /nfs/dbraw/zinc/48/82/39/568488239.db2.gz UBJHGPYOOZQIBJ-XXBNENTESA-N 1 1 406.570 5.259 40 0 HKABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238569 568488385 /nfs/dbraw/zinc/48/83/85/568488385.db2.gz UBJHGPYOOZQIBJ-AUSIDOKSSA-N 1 1 406.570 5.259 40 0 HKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000219420504 568491724 /nfs/dbraw/zinc/49/17/24/568491724.db2.gz NNFOWJXBJLUHPQ-UHFFFAOYSA-N 1 1 419.396 6.187 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014095 569052647 /nfs/dbraw/zinc/05/26/47/569052647.db2.gz CGJGZEUKMNJJMJ-ILBGXUMGSA-N 1 1 421.629 5.853 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014159 569052650 /nfs/dbraw/zinc/05/26/50/569052650.db2.gz CGJGZEUKMNJJMJ-UKILVPOCSA-N 1 1 421.629 5.853 40 0 HKABMO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000222597384 568519833 /nfs/dbraw/zinc/51/98/33/568519833.db2.gz DDQLKWIJCFYCLA-HSZRJFAPSA-N 1 1 413.005 5.424 40 0 HKABMO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000222597446 568519838 /nfs/dbraw/zinc/51/98/38/568519838.db2.gz DDQLKWIJCFYCLA-QHCPKHFHSA-N 1 1 413.005 5.424 40 0 HKABMO O=C(NCc1ccc2ccccc2c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000222749328 568525480 /nfs/dbraw/zinc/52/54/80/568525480.db2.gz AMZODQCHDZYFGE-UHFFFAOYSA-N 1 1 406.529 5.328 40 0 HKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000222800495 568526809 /nfs/dbraw/zinc/52/68/09/568526809.db2.gz BSHOHAYCOMYQBW-UHFFFAOYSA-N 1 1 410.920 5.161 40 0 HKABMO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000222823354 568527420 /nfs/dbraw/zinc/52/74/20/568527420.db2.gz MEHHYNUCRDCNOO-UHFFFAOYSA-N 1 1 410.920 5.161 40 0 HKABMO O=C(NCc1cccc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000222828068 568527571 /nfs/dbraw/zinc/52/75/71/568527571.db2.gz INJALJAPDLQQKU-UHFFFAOYSA-N 1 1 406.529 5.328 40 0 HKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000222876587 568529362 /nfs/dbraw/zinc/52/93/62/568529362.db2.gz CRFOPHALTCVDPA-UHFFFAOYSA-N 1 1 410.920 5.161 40 0 HKABMO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000222898705 568530046 /nfs/dbraw/zinc/53/00/46/568530046.db2.gz HCTQDFVLKNSVPB-UHFFFAOYSA-N 1 1 410.920 5.161 40 0 HKABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000222900797 568530166 /nfs/dbraw/zinc/53/01/66/568530166.db2.gz JPIYIPDHQROTCA-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000222900864 568530159 /nfs/dbraw/zinc/53/01/59/568530159.db2.gz JPIYIPDHQROTCA-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222905986 568530285 /nfs/dbraw/zinc/53/02/85/568530285.db2.gz FFCPSXFXNJLSDM-OAQYLSRUSA-N 1 1 424.588 5.615 40 0 HKABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222906055 568530269 /nfs/dbraw/zinc/53/02/69/568530269.db2.gz FFCPSXFXNJLSDM-NRFANRHFSA-N 1 1 424.588 5.615 40 0 HKABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C(c1ccccc1)c1ccccc1 ZINC000222936456 568531676 /nfs/dbraw/zinc/53/16/76/568531676.db2.gz NWLLLCRJQPEXKE-UHFFFAOYSA-N 1 1 415.924 5.248 40 0 HKABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl ZINC000222945490 568532025 /nfs/dbraw/zinc/53/20/25/568532025.db2.gz PSOJYOBZZSQSGA-UHFFFAOYSA-N 1 1 408.716 5.427 40 0 HKABMO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000222954002 568532213 /nfs/dbraw/zinc/53/22/13/568532213.db2.gz WNGRFBOINNIBMF-UHFFFAOYSA-N 1 1 424.466 5.194 40 0 HKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000222964231 568532471 /nfs/dbraw/zinc/53/24/71/568532471.db2.gz BXGXAUDUFVWSLG-MRXNPFEDSA-N 1 1 402.941 5.131 40 0 HKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000222964286 568532527 /nfs/dbraw/zinc/53/25/27/568532527.db2.gz BXGXAUDUFVWSLG-INIZCTEOSA-N 1 1 402.941 5.131 40 0 HKABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 ZINC000222964824 568532545 /nfs/dbraw/zinc/53/25/45/568532545.db2.gz IVPCAGHVRBIIAO-UHFFFAOYSA-N 1 1 407.823 5.139 40 0 HKABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992772 568533604 /nfs/dbraw/zinc/53/36/04/568533604.db2.gz CYOSFXFDJUIMNR-WZONZLPQSA-N 1 1 410.989 5.308 40 0 HKABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992841 568533647 /nfs/dbraw/zinc/53/36/47/568533647.db2.gz CYOSFXFDJUIMNR-FDDCHVKYSA-N 1 1 410.989 5.308 40 0 HKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090861 568537211 /nfs/dbraw/zinc/53/72/11/568537211.db2.gz YRIHJJINHCOHCJ-FQRUVTKNSA-N 1 1 404.598 5.678 40 0 HKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090909 568537201 /nfs/dbraw/zinc/53/72/01/568537201.db2.gz YRIHJJINHCOHCJ-IBVKSMDESA-N 1 1 404.598 5.678 40 0 HKABMO CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223116982 568538151 /nfs/dbraw/zinc/53/81/51/568538151.db2.gz JYZQIPSFXPXTNJ-NFBKMPQASA-N 1 1 424.560 5.237 40 0 HKABMO CCC1(CC)C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223117039 568538128 /nfs/dbraw/zinc/53/81/28/568538128.db2.gz JYZQIPSFXPXTNJ-OFNKIYASSA-N 1 1 424.560 5.237 40 0 HKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123554 568538464 /nfs/dbraw/zinc/53/84/64/568538464.db2.gz IFNYCQWQHPRAOO-ILBGXUMGSA-N 1 1 408.561 5.184 40 0 HKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123616 568538493 /nfs/dbraw/zinc/53/84/93/568538493.db2.gz IFNYCQWQHPRAOO-NOZRDPDXSA-N 1 1 408.561 5.184 40 0 HKABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154043 568539642 /nfs/dbraw/zinc/53/96/42/568539642.db2.gz FLQRLTSRCWTTHW-HXUWFJFHSA-N 1 1 410.561 5.225 40 0 HKABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154099 568539645 /nfs/dbraw/zinc/53/96/45/568539645.db2.gz FLQRLTSRCWTTHW-FQEVSTJZSA-N 1 1 410.561 5.225 40 0 HKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223225224 568541609 /nfs/dbraw/zinc/54/16/09/568541609.db2.gz KSCWOURZOGRHNC-MRXNPFEDSA-N 1 1 414.952 5.057 40 0 HKABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223225289 568541614 /nfs/dbraw/zinc/54/16/14/568541614.db2.gz KSCWOURZOGRHNC-INIZCTEOSA-N 1 1 414.952 5.057 40 0 HKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223258779 568542846 /nfs/dbraw/zinc/54/28/46/568542846.db2.gz GASMOXNBJAEYQU-MRXNPFEDSA-N 1 1 414.952 5.057 40 0 HKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223258836 568543084 /nfs/dbraw/zinc/54/30/84/568543084.db2.gz GASMOXNBJAEYQU-INIZCTEOSA-N 1 1 414.952 5.057 40 0 HKABMO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223337157 568545610 /nfs/dbraw/zinc/54/56/10/568545610.db2.gz RRSWGAIHAOTNGJ-TZIWHRDSSA-N 1 1 422.613 5.850 40 0 HKABMO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000223337223 568545582 /nfs/dbraw/zinc/54/55/82/568545582.db2.gz RRSWGAIHAOTNGJ-CTNGQTDRSA-N 1 1 422.613 5.850 40 0 HKABMO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1C(C)C ZINC000223385855 568547208 /nfs/dbraw/zinc/54/72/08/568547208.db2.gz CTLVPCMLFSQOBA-GOSISDBHSA-N 1 1 405.542 5.171 40 0 HKABMO COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1C(C)C ZINC000223385920 568547174 /nfs/dbraw/zinc/54/71/74/568547174.db2.gz CTLVPCMLFSQOBA-SFHVURJKSA-N 1 1 405.542 5.171 40 0 HKABMO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223399482 568547431 /nfs/dbraw/zinc/54/74/31/568547431.db2.gz VDFRQYRNZQQJQQ-JOCHJYFZSA-N 1 1 412.577 5.661 40 0 HKABMO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223399544 568547411 /nfs/dbraw/zinc/54/74/11/568547411.db2.gz VDFRQYRNZQQJQQ-QFIPXVFZSA-N 1 1 412.577 5.661 40 0 HKABMO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223416483 568548231 /nfs/dbraw/zinc/54/82/31/568548231.db2.gz AHDKTYRQVKHYJU-UHFFFAOYSA-N 1 1 418.540 5.749 40 0 HKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000223470947 568549749 /nfs/dbraw/zinc/54/97/49/568549749.db2.gz GVBRSVRXXOQSII-GOSISDBHSA-N 1 1 416.968 5.494 40 0 HKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000223471002 568549731 /nfs/dbraw/zinc/54/97/31/568549731.db2.gz GVBRSVRXXOQSII-SFHVURJKSA-N 1 1 416.968 5.494 40 0 HKABMO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000223505182 568550598 /nfs/dbraw/zinc/55/05/98/568550598.db2.gz MMGVAIZWICAGPE-GOSISDBHSA-N 1 1 416.968 5.494 40 0 HKABMO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000223505237 568550606 /nfs/dbraw/zinc/55/06/06/568550606.db2.gz MMGVAIZWICAGPE-SFHVURJKSA-N 1 1 416.968 5.494 40 0 HKABMO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000223528310 568551050 /nfs/dbraw/zinc/55/10/50/568551050.db2.gz BUCFLBKEJABGHL-UHFFFAOYSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 ZINC000223709688 568556952 /nfs/dbraw/zinc/55/69/52/568556952.db2.gz ANFWONNYUWSTHB-HXUWFJFHSA-N 1 1 408.586 5.025 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 ZINC000223709755 568556931 /nfs/dbraw/zinc/55/69/31/568556931.db2.gz ANFWONNYUWSTHB-FQEVSTJZSA-N 1 1 408.586 5.025 40 0 HKABMO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000223945920 568564068 /nfs/dbraw/zinc/56/40/68/568564068.db2.gz XQJXOVRDEWFSQZ-UHFFFAOYSA-N 1 1 416.968 5.132 40 0 HKABMO Cc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000223951889 568564245 /nfs/dbraw/zinc/56/42/45/568564245.db2.gz ATOQEOPRQCTTBA-UHFFFAOYSA-N 1 1 412.577 5.170 40 0 HKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224124713 568570851 /nfs/dbraw/zinc/57/08/51/568570851.db2.gz BCLXRSFEPIEQOC-MRXNPFEDSA-N 1 1 419.396 5.645 40 0 HKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224124767 568570908 /nfs/dbraw/zinc/57/09/08/568570908.db2.gz BCLXRSFEPIEQOC-INIZCTEOSA-N 1 1 419.396 5.645 40 0 HKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000224334802 568578262 /nfs/dbraw/zinc/57/82/62/568578262.db2.gz LLLSAFZWTIRHFZ-HXUWFJFHSA-N 1 1 408.586 5.025 40 0 HKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000224334854 568578284 /nfs/dbraw/zinc/57/82/84/568578284.db2.gz LLLSAFZWTIRHFZ-FQEVSTJZSA-N 1 1 408.586 5.025 40 0 HKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224489754 568582691 /nfs/dbraw/zinc/58/26/91/568582691.db2.gz ARWWUMRPUAPWDM-MRXNPFEDSA-N 1 1 419.396 5.645 40 0 HKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224489795 568582714 /nfs/dbraw/zinc/58/27/14/568582714.db2.gz ARWWUMRPUAPWDM-INIZCTEOSA-N 1 1 419.396 5.645 40 0 HKABMO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224506822 568583076 /nfs/dbraw/zinc/58/30/76/568583076.db2.gz UPPSECIDTLZMSA-UHFFFAOYSA-N 1 1 419.396 5.343 40 0 HKABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000224538462 568584168 /nfs/dbraw/zinc/58/41/68/568584168.db2.gz MEKHUAPNBLOZDM-INIZCTEOSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000224538507 568584121 /nfs/dbraw/zinc/58/41/21/568584121.db2.gz MEKHUAPNBLOZDM-MRXNPFEDSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 ZINC000224540870 568584273 /nfs/dbraw/zinc/58/42/73/568584273.db2.gz JUECYLQGAOMZID-INIZCTEOSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@H](CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 ZINC000224540911 568584282 /nfs/dbraw/zinc/58/42/82/568584282.db2.gz JUECYLQGAOMZID-MRXNPFEDSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000224542879 568584408 /nfs/dbraw/zinc/58/44/08/568584408.db2.gz IEXZGCYDDNOYMK-INIZCTEOSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@H](CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000224542930 568584379 /nfs/dbraw/zinc/58/43/79/568584379.db2.gz IEXZGCYDDNOYMK-MRXNPFEDSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000224544896 568584443 /nfs/dbraw/zinc/58/44/43/568584443.db2.gz TUFLLVCPIPBHKD-INIZCTEOSA-N 1 1 405.369 5.125 40 0 HKABMO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000224544950 568584365 /nfs/dbraw/zinc/58/43/65/568584365.db2.gz TUFLLVCPIPBHKD-MRXNPFEDSA-N 1 1 405.369 5.125 40 0 HKABMO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224550437 568584804 /nfs/dbraw/zinc/58/48/04/568584804.db2.gz BPBKVNXWFBJDOJ-UHFFFAOYSA-N 1 1 422.931 5.582 40 0 HKABMO O=C(c1ccc(Cl)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000224813918 568598231 /nfs/dbraw/zinc/59/82/31/568598231.db2.gz FLKQZSMWAQRAAJ-UHFFFAOYSA-N 1 1 408.904 5.027 40 0 HKABMO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000224898333 568602947 /nfs/dbraw/zinc/60/29/47/568602947.db2.gz UOTRDNHZFQBGDR-UHFFFAOYSA-N 1 1 411.549 5.097 40 0 HKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224954468 568605676 /nfs/dbraw/zinc/60/56/76/568605676.db2.gz NAFBNGLYWAKNNM-MRXNPFEDSA-N 1 1 419.396 5.645 40 0 HKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224954501 568605648 /nfs/dbraw/zinc/60/56/48/568605648.db2.gz NAFBNGLYWAKNNM-INIZCTEOSA-N 1 1 419.396 5.645 40 0 HKABMO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000224990176 568607664 /nfs/dbraw/zinc/60/76/64/568607664.db2.gz IHPUXPYBGSUASL-HYBUGGRVSA-N 1 1 420.597 5.731 40 0 HKABMO CCC1(CC)C[C@H](NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000224990214 568607657 /nfs/dbraw/zinc/60/76/57/568607657.db2.gz IHPUXPYBGSUASL-YKSBVNFPSA-N 1 1 420.597 5.731 40 0 HKABMO CC(C)n1c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2sc1=O ZINC000225160413 568619116 /nfs/dbraw/zinc/61/91/16/568619116.db2.gz SWDPZUODZXAHQL-QGZVFWFLSA-N 1 1 423.582 5.128 40 0 HKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000225296183 568628369 /nfs/dbraw/zinc/62/83/69/568628369.db2.gz ZZIVURNNPYWGHU-HSZRJFAPSA-N 1 1 415.537 5.196 40 0 HKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000225296210 568628457 /nfs/dbraw/zinc/62/84/57/568628457.db2.gz ZZIVURNNPYWGHU-QHCPKHFHSA-N 1 1 415.537 5.196 40 0 HKABMO CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c2ccccc2O1 ZINC000225296246 568628379 /nfs/dbraw/zinc/62/83/79/568628379.db2.gz UZSQVQMRXKCNGC-JOCHJYFZSA-N 1 1 403.526 5.052 40 0 HKABMO CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c2ccccc2O1 ZINC000225296267 521691611 /nfs/dbraw/zinc/69/16/11/521691611.db2.gz UZSQVQMRXKCNGC-QFIPXVFZSA-N 1 1 403.526 5.052 40 0 HKABMO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225304749 568628981 /nfs/dbraw/zinc/62/89/81/568628981.db2.gz GANNZMOQAJXGIR-UHFFFAOYSA-N 1 1 418.968 5.206 40 0 HKABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330810 568629833 /nfs/dbraw/zinc/62/98/33/568629833.db2.gz LKRLKZUTVXYBTG-IFMALSPDSA-N 1 1 414.977 5.137 40 0 HKABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330845 568629864 /nfs/dbraw/zinc/62/98/64/568629864.db2.gz LKRLKZUTVXYBTG-IRLDBZIGSA-N 1 1 414.977 5.137 40 0 HKABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225411933 568635294 /nfs/dbraw/zinc/63/52/94/568635294.db2.gz QIJYZPSQJMPIRK-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225411978 568635256 /nfs/dbraw/zinc/63/52/56/568635256.db2.gz QIJYZPSQJMPIRK-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225449810 568639070 /nfs/dbraw/zinc/63/90/70/568639070.db2.gz AWTKLCQFORNFNM-UHFFFAOYSA-N 1 1 424.879 5.340 40 0 HKABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225457127 568639637 /nfs/dbraw/zinc/63/96/37/568639637.db2.gz HIHNSWCCJMIZTO-UHFFFAOYSA-N 1 1 424.879 5.340 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503584 568644167 /nfs/dbraw/zinc/64/41/67/568644167.db2.gz CIJHGXXGYUNNPS-OAQYLSRUSA-N 1 1 406.570 5.248 40 0 HKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503619 568644174 /nfs/dbraw/zinc/64/41/74/568644174.db2.gz CIJHGXXGYUNNPS-NRFANRHFSA-N 1 1 406.570 5.248 40 0 HKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503667 568644135 /nfs/dbraw/zinc/64/41/35/568644135.db2.gz RXSAEZNAQPUWOU-OAQYLSRUSA-N 1 1 406.570 5.390 40 0 HKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503702 568644218 /nfs/dbraw/zinc/64/42/18/568644218.db2.gz RXSAEZNAQPUWOU-NRFANRHFSA-N 1 1 406.570 5.390 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225503801 568644186 /nfs/dbraw/zinc/64/41/86/568644186.db2.gz XXGWLARKQLWWQF-SZPZYZBQSA-N 1 1 420.597 5.494 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225504227 568644201 /nfs/dbraw/zinc/64/42/01/568644201.db2.gz WAVJOENNRNRVGC-JOCHJYFZSA-N 1 1 420.597 5.638 40 0 HKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000225504268 568644160 /nfs/dbraw/zinc/64/41/60/568644160.db2.gz WAVJOENNRNRVGC-QFIPXVFZSA-N 1 1 420.597 5.638 40 0 HKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225504320 568644207 /nfs/dbraw/zinc/64/42/07/568644207.db2.gz DJCNXHUTQDZCDN-JOCHJYFZSA-N 1 1 420.597 5.780 40 0 HKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225504362 568644148 /nfs/dbraw/zinc/64/41/48/568644148.db2.gz DJCNXHUTQDZCDN-QFIPXVFZSA-N 1 1 420.597 5.780 40 0 HKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCC2)c1 ZINC000225509749 568644915 /nfs/dbraw/zinc/64/49/15/568644915.db2.gz DULQQBKQBLOWDY-JOCHJYFZSA-N 1 1 420.597 5.556 40 0 HKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCC2)c1 ZINC000225509807 568644871 /nfs/dbraw/zinc/64/48/71/568644871.db2.gz RICRTEYNGYTFLJ-QFIPXVFZSA-N 1 1 420.597 5.699 40 0 HKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCCC2)cc1 ZINC000225512800 568645185 /nfs/dbraw/zinc/64/51/85/568645185.db2.gz FCOSGRDJCUTVMJ-JOCHJYFZSA-N 1 1 420.597 5.556 40 0 HKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225512863 568645206 /nfs/dbraw/zinc/64/52/06/568645206.db2.gz YAKHYHIUPBYSOY-QFIPXVFZSA-N 1 1 420.597 5.699 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225515839 568645716 /nfs/dbraw/zinc/64/57/16/568645716.db2.gz NKQXENRTFRVPCN-HXUWFJFHSA-N 1 1 424.560 5.387 40 0 HKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 ZINC000225515877 568645846 /nfs/dbraw/zinc/64/58/46/568645846.db2.gz NKQXENRTFRVPCN-FQEVSTJZSA-N 1 1 424.560 5.387 40 0 HKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515925 568645663 /nfs/dbraw/zinc/64/56/63/568645663.db2.gz HSQMGXIZYDELDN-HXUWFJFHSA-N 1 1 424.560 5.529 40 0 HKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515965 568645733 /nfs/dbraw/zinc/64/57/33/568645733.db2.gz HSQMGXIZYDELDN-FQEVSTJZSA-N 1 1 424.560 5.529 40 0 HKABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225518043 568645929 /nfs/dbraw/zinc/64/59/29/568645929.db2.gz PXOAQIWFOALMJB-OAHLLOKOSA-N 1 1 421.368 5.091 40 0 HKABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225518078 568645998 /nfs/dbraw/zinc/64/59/98/568645998.db2.gz PXOAQIWFOALMJB-HNNXBMFYSA-N 1 1 421.368 5.091 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520135 568646202 /nfs/dbraw/zinc/64/62/02/568646202.db2.gz NQGHIDFROLVGET-HXUWFJFHSA-N 1 1 424.560 5.387 40 0 HKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 ZINC000225520175 568646112 /nfs/dbraw/zinc/64/61/12/568646112.db2.gz NQGHIDFROLVGET-FQEVSTJZSA-N 1 1 424.560 5.387 40 0 HKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520223 568646364 /nfs/dbraw/zinc/64/63/64/568646364.db2.gz YSWZGBCBLCZHGB-HXUWFJFHSA-N 1 1 424.560 5.529 40 0 HKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520265 568646464 /nfs/dbraw/zinc/64/64/64/568646464.db2.gz YSWZGBCBLCZHGB-FQEVSTJZSA-N 1 1 424.560 5.529 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534172 568648271 /nfs/dbraw/zinc/64/82/71/568648271.db2.gz NCYUACLXDJQWKA-JOCHJYFZSA-N 1 1 420.597 5.638 40 0 HKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 ZINC000225534201 568648320 /nfs/dbraw/zinc/64/83/20/568648320.db2.gz NCYUACLXDJQWKA-QFIPXVFZSA-N 1 1 420.597 5.638 40 0 HKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534244 568648257 /nfs/dbraw/zinc/64/82/57/568648257.db2.gz KBGJHZDKDDGRMO-JOCHJYFZSA-N 1 1 420.597 5.780 40 0 HKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534279 568648377 /nfs/dbraw/zinc/64/83/77/568648377.db2.gz KBGJHZDKDDGRMO-QFIPXVFZSA-N 1 1 420.597 5.780 40 0 HKABMO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225561310 568651301 /nfs/dbraw/zinc/65/13/01/568651301.db2.gz AIPINXPFXLKDBX-UHFFFAOYSA-N 1 1 419.396 5.343 40 0 HKABMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575498 568653082 /nfs/dbraw/zinc/65/30/82/568653082.db2.gz AVEIOKDJKZVUMK-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575724 568653052 /nfs/dbraw/zinc/65/30/52/568653052.db2.gz JMZYGRRMJRYNCV-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575901 568653338 /nfs/dbraw/zinc/65/33/38/568653338.db2.gz QRCOOLHDKWDEAL-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577447 568653362 /nfs/dbraw/zinc/65/33/62/568653362.db2.gz ZTVSMTYICZEZOH-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579681 568653836 /nfs/dbraw/zinc/65/38/36/568653836.db2.gz LTAWMFHYUUJZNS-UHFFFAOYSA-N 1 1 402.941 5.455 40 0 HKABMO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580617 568653842 /nfs/dbraw/zinc/65/38/42/568653842.db2.gz OZAKHVWTGGWZIB-UHFFFAOYSA-N 1 1 402.941 5.762 40 0 HKABMO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580695 568653851 /nfs/dbraw/zinc/65/38/51/568653851.db2.gz MKNBQYOKHPJSOU-UHFFFAOYSA-N 1 1 414.830 5.349 40 0 HKABMO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225580956 568653830 /nfs/dbraw/zinc/65/38/30/568653830.db2.gz CQHFRSFQQPTJIE-UHFFFAOYSA-N 1 1 402.941 5.672 40 0 HKABMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581128 568653789 /nfs/dbraw/zinc/65/37/89/568653789.db2.gz PCLZOVMZKXBSLV-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581173 568653825 /nfs/dbraw/zinc/65/38/25/568653825.db2.gz PPXZZJUTHADCMX-UHFFFAOYSA-N 1 1 415.723 5.637 40 0 HKABMO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581597 568653849 /nfs/dbraw/zinc/65/38/49/568653849.db2.gz HOQCKPRCWWIOHH-UHFFFAOYSA-N 1 1 422.931 5.997 40 0 HKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225581782 568654118 /nfs/dbraw/zinc/65/41/18/568654118.db2.gz RXWPFIGAEMIPQP-CQSZACIVSA-N 1 1 407.933 5.300 40 0 HKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225581810 568654033 /nfs/dbraw/zinc/65/40/33/568654033.db2.gz RXWPFIGAEMIPQP-AWEZNQCLSA-N 1 1 407.933 5.300 40 0 HKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225582302 568654111 /nfs/dbraw/zinc/65/41/11/568654111.db2.gz RRZNOIBJECVDHH-CQSZACIVSA-N 1 1 418.832 5.044 40 0 HKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225582322 568653932 /nfs/dbraw/zinc/65/39/32/568653932.db2.gz RRZNOIBJECVDHH-AWEZNQCLSA-N 1 1 418.832 5.044 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225583295 568654365 /nfs/dbraw/zinc/65/43/65/568654365.db2.gz GHFAXFOHJTZKQZ-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225583326 568654147 /nfs/dbraw/zinc/65/41/47/568654147.db2.gz GHFAXFOHJTZKQZ-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1 ZINC000225583415 568654152 /nfs/dbraw/zinc/65/41/52/568654152.db2.gz BAVMEKJIIYXTNI-JOCHJYFZSA-N 1 1 402.941 5.267 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1 ZINC000225583434 568654194 /nfs/dbraw/zinc/65/41/94/568654194.db2.gz BAVMEKJIIYXTNI-QFIPXVFZSA-N 1 1 402.941 5.267 40 0 HKABMO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225583531 568654259 /nfs/dbraw/zinc/65/42/59/568654259.db2.gz LXKXGNHQJDIJHL-HSZRJFAPSA-N 1 1 416.968 5.595 40 0 HKABMO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225583548 568654376 /nfs/dbraw/zinc/65/43/76/568654376.db2.gz LXKXGNHQJDIJHL-QHCPKHFHSA-N 1 1 416.968 5.595 40 0 HKABMO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225583780 568654383 /nfs/dbraw/zinc/65/43/83/568654383.db2.gz DARKBYMYLJFWOJ-UHFFFAOYSA-N 1 1 406.954 5.442 40 0 HKABMO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225584040 568654265 /nfs/dbraw/zinc/65/42/65/568654265.db2.gz AEIWEWKMUJUOJK-UHFFFAOYSA-N 1 1 404.913 5.117 40 0 HKABMO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225584067 568654317 /nfs/dbraw/zinc/65/43/17/568654317.db2.gz RVYCFOALEVJUDJ-UHFFFAOYSA-N 1 1 404.913 5.117 40 0 HKABMO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585442 568654616 /nfs/dbraw/zinc/65/46/16/568654616.db2.gz CWULRRVGRRTNHC-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585462 568654466 /nfs/dbraw/zinc/65/44/66/568654466.db2.gz CWULRRVGRRTNHC-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585483 568654556 /nfs/dbraw/zinc/65/45/56/568654556.db2.gz UVNILZHKFBBJOX-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585514 568654550 /nfs/dbraw/zinc/65/45/50/568654550.db2.gz ORSFNEXSGQEIDJ-UHFFFAOYSA-N 1 1 423.359 5.094 40 0 HKABMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000225587728 568654785 /nfs/dbraw/zinc/65/47/85/568654785.db2.gz XAOLOWBQOWHDJV-QGZVFWFLSA-N 1 1 402.941 5.185 40 0 HKABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000225587752 568654733 /nfs/dbraw/zinc/65/47/33/568654733.db2.gz XAOLOWBQOWHDJV-KRWDZBQOSA-N 1 1 402.941 5.185 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)c(C)c1 ZINC000225587793 568654674 /nfs/dbraw/zinc/65/46/74/568654674.db2.gz JWTQDICDIJBROT-HSZRJFAPSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)c(C)c1 ZINC000225587822 568654801 /nfs/dbraw/zinc/65/48/01/568654801.db2.gz JWTQDICDIJBROT-QHCPKHFHSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1C ZINC000225587860 568655101 /nfs/dbraw/zinc/65/51/01/568655101.db2.gz AAWSWEDHEHGIOA-HSZRJFAPSA-N 1 1 416.968 5.575 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1C ZINC000225587892 568654987 /nfs/dbraw/zinc/65/49/87/568654987.db2.gz AAWSWEDHEHGIOA-QHCPKHFHSA-N 1 1 416.968 5.575 40 0 HKABMO CC(C)Oc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588644 568655113 /nfs/dbraw/zinc/65/51/13/568655113.db2.gz ZYCUNXSDQSTRQN-UHFFFAOYSA-N 1 1 404.913 5.117 40 0 HKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1C ZINC000225588918 568655057 /nfs/dbraw/zinc/65/50/57/568655057.db2.gz VCOOWONAHHMIIR-JOCHJYFZSA-N 1 1 402.941 5.267 40 0 HKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1C ZINC000225588947 568655135 /nfs/dbraw/zinc/65/51/35/568655135.db2.gz VCOOWONAHHMIIR-QFIPXVFZSA-N 1 1 402.941 5.267 40 0 HKABMO CN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589116 568655033 /nfs/dbraw/zinc/65/50/33/568655033.db2.gz QSJCLQABYUXPQY-UHFFFAOYSA-N 1 1 409.332 5.003 40 0 HKABMO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225591027 568655179 /nfs/dbraw/zinc/65/51/79/568655179.db2.gz PLWUFUPMCCAEAI-MRXNPFEDSA-N 1 1 402.941 5.131 40 0 HKABMO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225591059 568655198 /nfs/dbraw/zinc/65/51/98/568655198.db2.gz PLWUFUPMCCAEAI-INIZCTEOSA-N 1 1 402.941 5.131 40 0 HKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225615343 568657221 /nfs/dbraw/zinc/65/72/21/568657221.db2.gz UEOLEYFTAPESDU-OAQYLSRUSA-N 1 1 418.622 5.213 40 0 HKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225615391 568657107 /nfs/dbraw/zinc/65/71/07/568657107.db2.gz JQOISLWDRAJYCC-NRFANRHFSA-N 1 1 418.622 5.356 40 0 HKABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225623540 568658021 /nfs/dbraw/zinc/65/80/21/568658021.db2.gz FMUMRISIXVPUSY-HYBUGGRVSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225623554 568658040 /nfs/dbraw/zinc/65/80/40/568658040.db2.gz FMUMRISIXVPUSY-YKSBVNFPSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225623572 568658034 /nfs/dbraw/zinc/65/80/34/568658034.db2.gz LXMSGLSANCIWIF-GBXCKJPGSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225623593 568658044 /nfs/dbraw/zinc/65/80/44/568658044.db2.gz LXMSGLSANCIWIF-RDPSFJRHSA-N 1 1 404.595 5.254 40 0 HKABMO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225628112 568658514 /nfs/dbraw/zinc/65/85/14/568658514.db2.gz XVFNBHCWHMCZGK-UHFFFAOYSA-N 1 1 410.561 5.113 40 0 HKABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225631716 568658799 /nfs/dbraw/zinc/65/87/99/568658799.db2.gz MAUBXGBFAZVBJD-FQEVSTJZSA-N 1 1 402.579 5.008 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225655256 568660447 /nfs/dbraw/zinc/66/04/47/568660447.db2.gz OUSMVEHFTWLTHX-FQEVSTJZSA-N 1 1 402.579 5.008 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225657159 568660799 /nfs/dbraw/zinc/66/07/99/568660799.db2.gz AVHIXTJSEXEUJC-FQEVSTJZSA-N 1 1 402.579 5.008 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225657210 568660792 /nfs/dbraw/zinc/66/07/92/568660792.db2.gz GPKIKXAIFHIWIX-OYRHEFFESA-N 1 1 416.606 5.111 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225657553 568660885 /nfs/dbraw/zinc/66/08/85/568660885.db2.gz XJLXJMRJSUAKJQ-OAQYLSRUSA-N 1 1 416.606 5.255 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225657601 568660892 /nfs/dbraw/zinc/66/08/92/568660892.db2.gz TZYVWCFXTXHMEU-NRFANRHFSA-N 1 1 416.606 5.398 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225659427 568661144 /nfs/dbraw/zinc/66/11/44/568661144.db2.gz LQFSJUQKGAKSJR-OAQYLSRUSA-N 1 1 416.606 5.255 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225659461 568661128 /nfs/dbraw/zinc/66/11/28/568661128.db2.gz OSEDLCMJMAFEEX-NRFANRHFSA-N 1 1 416.606 5.398 40 0 HKABMO CCCO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663117 568661643 /nfs/dbraw/zinc/66/16/43/568661643.db2.gz IOWJIHRAIYEEDN-OTPAQWSUSA-N 1 1 416.606 5.111 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225663151 568661602 /nfs/dbraw/zinc/66/16/02/568661602.db2.gz IOWJIHRAIYEEDN-DNRQZRRGSA-N 1 1 416.606 5.111 40 0 HKABMO CCCO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225663199 568661624 /nfs/dbraw/zinc/66/16/24/568661624.db2.gz KIZABORJMJDYAW-CZSZKKDXSA-N 1 1 416.606 5.254 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225663226 568661648 /nfs/dbraw/zinc/66/16/48/568661648.db2.gz KIZABORJMJDYAW-TYBLODHISA-N 1 1 416.606 5.254 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225668673 568662215 /nfs/dbraw/zinc/66/22/15/568662215.db2.gz ZXVQFDSPLULYNX-YOOZRZFBSA-N 1 1 416.606 5.111 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225668722 568662314 /nfs/dbraw/zinc/66/23/14/568662314.db2.gz KKFNYMWOAOVDKT-JQJXBVGUSA-N 1 1 416.606 5.254 40 0 HKABMO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000225678090 568663343 /nfs/dbraw/zinc/66/33/43/568663343.db2.gz AGAFBMCLKJRRKX-UHFFFAOYSA-N 1 1 412.577 5.300 40 0 HKABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225689502 568664682 /nfs/dbraw/zinc/66/46/82/568664682.db2.gz AZYIGLLFSDGIJG-RDPSFJRHSA-N 1 1 404.595 5.110 40 0 HKABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225689521 568664645 /nfs/dbraw/zinc/66/46/45/568664645.db2.gz AZYIGLLFSDGIJG-GBXCKJPGSA-N 1 1 404.595 5.110 40 0 HKABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699828 521119846 /nfs/dbraw/zinc/11/98/46/521119846.db2.gz PMABKURIJQUDRM-HYBUGGRVSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699856 568665749 /nfs/dbraw/zinc/66/57/49/568665749.db2.gz PMABKURIJQUDRM-YKSBVNFPSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225699897 568665727 /nfs/dbraw/zinc/66/57/27/568665727.db2.gz BKFREOASLTYGHN-GBXCKJPGSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225699925 568665816 /nfs/dbraw/zinc/66/58/16/568665816.db2.gz BKFREOASLTYGHN-RDPSFJRHSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703185 568666107 /nfs/dbraw/zinc/66/61/07/568666107.db2.gz VPWMWOZJYURSRM-HYBUGGRVSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703208 568666101 /nfs/dbraw/zinc/66/61/01/568666101.db2.gz VPWMWOZJYURSRM-YKSBVNFPSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225703248 568666029 /nfs/dbraw/zinc/66/60/29/568666029.db2.gz PTUWNONDOSOZEY-GBXCKJPGSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225703281 568666013 /nfs/dbraw/zinc/66/60/13/568666013.db2.gz PTUWNONDOSOZEY-RDPSFJRHSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225703326 568665971 /nfs/dbraw/zinc/66/59/71/568665971.db2.gz QYVDIFAKPIWDKW-TYBLODHISA-N 1 1 418.622 5.357 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225703353 520316843 /nfs/dbraw/zinc/31/68/43/520316843.db2.gz QYVDIFAKPIWDKW-BKSPAHHJSA-N 1 1 418.622 5.357 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703898 568665999 /nfs/dbraw/zinc/66/59/99/568665999.db2.gz YJSYRUXMQKOADK-PXDATVDWSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225703929 568665915 /nfs/dbraw/zinc/66/59/15/568665915.db2.gz YJSYRUXMQKOADK-BWKNWUBXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225703967 568666064 /nfs/dbraw/zinc/66/60/64/568666064.db2.gz SADJLLNGLYXYGC-SQJMNOBHSA-N 1 1 418.622 5.644 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225703999 568665949 /nfs/dbraw/zinc/66/59/49/568665949.db2.gz SADJLLNGLYXYGC-OFVILXPXSA-N 1 1 418.622 5.644 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225709621 568666613 /nfs/dbraw/zinc/66/66/13/568666613.db2.gz HRJQDEUSAHATLO-FQEVSTJZSA-N 1 1 402.579 5.008 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225711302 521634078 /nfs/dbraw/zinc/63/40/78/521634078.db2.gz PXJHODXPTRCRNN-FQEVSTJZSA-N 1 1 402.579 5.008 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225711337 568666897 /nfs/dbraw/zinc/66/68/97/568666897.db2.gz ITZAQOKKFJBDSV-OYRHEFFESA-N 1 1 416.606 5.111 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225711604 568666827 /nfs/dbraw/zinc/66/68/27/568666827.db2.gz QMSZOYJHAHQGAX-OAQYLSRUSA-N 1 1 416.606 5.255 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225711643 568666890 /nfs/dbraw/zinc/66/68/90/568666890.db2.gz MESYLMDKPRJZFP-NRFANRHFSA-N 1 1 416.606 5.398 40 0 HKABMO CCO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225716316 568667289 /nfs/dbraw/zinc/66/72/89/568667289.db2.gz HXZRBLHJDVOPBD-OTPAQWSUSA-N 1 1 416.606 5.111 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225716343 568667300 /nfs/dbraw/zinc/66/73/00/568667300.db2.gz HXZRBLHJDVOPBD-DNRQZRRGSA-N 1 1 416.606 5.111 40 0 HKABMO CCO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225716396 568667266 /nfs/dbraw/zinc/66/72/66/568667266.db2.gz QQAIJZWRFPQGSN-CZSZKKDXSA-N 1 1 416.606 5.254 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225716430 568667223 /nfs/dbraw/zinc/66/72/23/568667223.db2.gz QQAIJZWRFPQGSN-TYBLODHISA-N 1 1 416.606 5.254 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225720724 568667772 /nfs/dbraw/zinc/66/77/72/568667772.db2.gz UKIHROCSYJEUPP-YOOZRZFBSA-N 1 1 416.606 5.111 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225720769 568667753 /nfs/dbraw/zinc/66/77/53/568667753.db2.gz HMUHJAGFGCYDRA-JQJXBVGUSA-N 1 1 416.606 5.254 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225728304 568668513 /nfs/dbraw/zinc/66/85/13/568668513.db2.gz IHFGLLGJMWRUNV-BETUJISGSA-N 1 1 407.933 5.013 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225734664 568669292 /nfs/dbraw/zinc/66/92/92/568669292.db2.gz RESNLXHLNWNLGN-RDPSFJRHSA-N 1 1 404.595 5.110 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225734699 568669425 /nfs/dbraw/zinc/66/94/25/568669425.db2.gz RESNLXHLNWNLGN-GBXCKJPGSA-N 1 1 404.595 5.110 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225734736 568669269 /nfs/dbraw/zinc/66/92/69/568669269.db2.gz WBKAZQBLMDNYLQ-BKSPAHHJSA-N 1 1 418.622 5.213 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225734765 568669298 /nfs/dbraw/zinc/66/92/98/568669298.db2.gz WBKAZQBLMDNYLQ-TYBLODHISA-N 1 1 418.622 5.213 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735316 568669323 /nfs/dbraw/zinc/66/93/23/568669323.db2.gz UMKUXPGPQHRTGM-BWKNWUBXSA-N 1 1 418.622 5.357 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735345 568669284 /nfs/dbraw/zinc/66/92/84/568669284.db2.gz UMKUXPGPQHRTGM-PXDATVDWSA-N 1 1 418.622 5.357 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225735383 568669316 /nfs/dbraw/zinc/66/93/16/568669316.db2.gz RKNOXLGCMMAZAD-OFVILXPXSA-N 1 1 418.622 5.500 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225735410 568669483 /nfs/dbraw/zinc/66/94/83/568669483.db2.gz RKNOXLGCMMAZAD-SQJMNOBHSA-N 1 1 418.622 5.500 40 0 HKABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225736426 568669386 /nfs/dbraw/zinc/66/93/86/568669386.db2.gz FOTDEVJYPQICMW-LJQANCHMSA-N 1 1 413.656 5.387 40 0 HKABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 ZINC000225736454 568669337 /nfs/dbraw/zinc/66/93/37/568669337.db2.gz FOTDEVJYPQICMW-IBGZPJMESA-N 1 1 413.656 5.387 40 0 HKABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225739340 568669882 /nfs/dbraw/zinc/66/98/82/568669882.db2.gz KAMVYTHOCWZQRY-YKSBVNFPSA-N 1 1 404.595 5.111 40 0 HKABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225739364 520290576 /nfs/dbraw/zinc/29/05/76/520290576.db2.gz KAMVYTHOCWZQRY-HYBUGGRVSA-N 1 1 404.595 5.111 40 0 HKABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225739413 568669868 /nfs/dbraw/zinc/66/98/68/568669868.db2.gz OIWNDTWEBBBVDP-RDPSFJRHSA-N 1 1 404.595 5.254 40 0 HKABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225739437 568669852 /nfs/dbraw/zinc/66/98/52/568669852.db2.gz OIWNDTWEBBBVDP-GBXCKJPGSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745055 568670681 /nfs/dbraw/zinc/67/06/81/568670681.db2.gz UKOKJOCKLRONSK-HYBUGGRVSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745087 568670736 /nfs/dbraw/zinc/67/07/36/568670736.db2.gz UKOKJOCKLRONSK-YKSBVNFPSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225745126 568670818 /nfs/dbraw/zinc/67/08/18/568670818.db2.gz SLESWSKNIAROBD-GBXCKJPGSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225745160 568670867 /nfs/dbraw/zinc/67/08/67/568670867.db2.gz SLESWSKNIAROBD-RDPSFJRHSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225745197 568670841 /nfs/dbraw/zinc/67/08/41/568670841.db2.gz MLMODSNKIRNXCC-TYBLODHISA-N 1 1 418.622 5.357 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225745228 568670850 /nfs/dbraw/zinc/67/08/50/568670850.db2.gz MLMODSNKIRNXCC-BKSPAHHJSA-N 1 1 418.622 5.357 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745730 568670789 /nfs/dbraw/zinc/67/07/89/568670789.db2.gz DXZVBTNARMVXHV-PXDATVDWSA-N 1 1 418.622 5.501 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225745754 568670794 /nfs/dbraw/zinc/67/07/94/568670794.db2.gz DXZVBTNARMVXHV-BWKNWUBXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225745776 568670833 /nfs/dbraw/zinc/67/08/33/568670833.db2.gz LKZSARKEWIKOOG-SQJMNOBHSA-N 1 1 418.622 5.644 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225745801 568670716 /nfs/dbraw/zinc/67/07/16/568670716.db2.gz LKZSARKEWIKOOG-OFVILXPXSA-N 1 1 418.622 5.644 40 0 HKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225749802 568671091 /nfs/dbraw/zinc/67/10/91/568671091.db2.gz WQTXITUSWDIYKN-PXDATVDWSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225749831 568670971 /nfs/dbraw/zinc/67/09/71/568670971.db2.gz WQTXITUSWDIYKN-BWKNWUBXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225749874 568670931 /nfs/dbraw/zinc/67/09/31/568670931.db2.gz UDSSAGQUWUAAQZ-SQJMNOBHSA-N 1 1 418.622 5.644 40 0 HKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225749900 568671060 /nfs/dbraw/zinc/67/10/60/568671060.db2.gz UDSSAGQUWUAAQZ-OFVILXPXSA-N 1 1 418.622 5.644 40 0 HKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779300 568674161 /nfs/dbraw/zinc/67/41/61/568674161.db2.gz FGKYHJBMGHUMSW-OAQYLSRUSA-N 1 1 414.977 5.303 40 0 HKABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779320 568674200 /nfs/dbraw/zinc/67/42/00/568674200.db2.gz FGKYHJBMGHUMSW-NRFANRHFSA-N 1 1 414.977 5.303 40 0 HKABMO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906615 568684787 /nfs/dbraw/zinc/68/47/87/568684787.db2.gz MIHJQOKSOQGUQJ-QGZVFWFLSA-N 1 1 409.332 5.003 40 0 HKABMO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906635 568684855 /nfs/dbraw/zinc/68/48/55/568684855.db2.gz MIHJQOKSOQGUQJ-KRWDZBQOSA-N 1 1 409.332 5.003 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906908 568685038 /nfs/dbraw/zinc/68/50/38/568685038.db2.gz WZLVNYAEBZVUBT-CQSZACIVSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906908 568685042 /nfs/dbraw/zinc/68/50/42/568685042.db2.gz WZLVNYAEBZVUBT-CQSZACIVSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906923 568685176 /nfs/dbraw/zinc/68/51/76/568685176.db2.gz WZLVNYAEBZVUBT-AWEZNQCLSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906923 568685178 /nfs/dbraw/zinc/68/51/78/568685178.db2.gz WZLVNYAEBZVUBT-AWEZNQCLSA-N 1 1 420.365 5.454 40 0 HKABMO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907742 568685069 /nfs/dbraw/zinc/68/50/69/568685069.db2.gz YVBBHZLXWCGWME-GOSISDBHSA-N 1 1 405.369 5.485 40 0 HKABMO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000225907762 568685127 /nfs/dbraw/zinc/68/51/27/568685127.db2.gz YVBBHZLXWCGWME-SFHVURJKSA-N 1 1 405.369 5.485 40 0 HKABMO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909620 568685422 /nfs/dbraw/zinc/68/54/22/568685422.db2.gz HQCXLNNBETZGIQ-MRXNPFEDSA-N 1 1 409.332 5.003 40 0 HKABMO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909637 568685518 /nfs/dbraw/zinc/68/55/18/568685518.db2.gz HQCXLNNBETZGIQ-INIZCTEOSA-N 1 1 409.332 5.003 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909923 568685528 /nfs/dbraw/zinc/68/55/28/568685528.db2.gz XLGRGVZOUFTZIQ-CYBMUJFWSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909923 568685530 /nfs/dbraw/zinc/68/55/30/568685530.db2.gz XLGRGVZOUFTZIQ-CYBMUJFWSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909940 568685393 /nfs/dbraw/zinc/68/53/93/568685393.db2.gz XLGRGVZOUFTZIQ-ZDUSSCGKSA-N 1 1 420.365 5.454 40 0 HKABMO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909940 568685395 /nfs/dbraw/zinc/68/53/95/568685395.db2.gz XLGRGVZOUFTZIQ-ZDUSSCGKSA-N 1 1 420.365 5.454 40 0 HKABMO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910797 568685475 /nfs/dbraw/zinc/68/54/75/568685475.db2.gz VSRYJWUFYJZNNF-QGZVFWFLSA-N 1 1 405.369 5.485 40 0 HKABMO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000225910817 568685464 /nfs/dbraw/zinc/68/54/64/568685464.db2.gz VSRYJWUFYJZNNF-KRWDZBQOSA-N 1 1 405.369 5.485 40 0 HKABMO C[N@@H+](C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000226069666 559272741 /nfs/dbraw/zinc/27/27/41/559272741.db2.gz LCIWUYFHXJRBEI-HSZRJFAPSA-N 1 1 419.650 5.421 40 0 HKABMO C[N@@H+](C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 ZINC000226069682 559272752 /nfs/dbraw/zinc/27/27/52/559272752.db2.gz LCIWUYFHXJRBEI-QHCPKHFHSA-N 1 1 419.650 5.421 40 0 HKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000226069712 559272754 /nfs/dbraw/zinc/27/27/54/559272754.db2.gz LZMSFENOCCKTTA-FUPPJEDESA-N 1 1 419.650 5.420 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000226069983 559272757 /nfs/dbraw/zinc/27/27/57/559272757.db2.gz DKQZZSIPHROKMK-FUPPJEDESA-N 1 1 419.650 5.135 40 0 HKABMO C[N@@H+](C[C@@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 ZINC000226070415 559272781 /nfs/dbraw/zinc/27/27/81/559272781.db2.gz PEEJTEDVLCAULH-JOCHJYFZSA-N 1 1 419.650 5.302 40 0 HKABMO C[N@@H+](C[C@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 ZINC000226070425 559272764 /nfs/dbraw/zinc/27/27/64/559272764.db2.gz PEEJTEDVLCAULH-QFIPXVFZSA-N 1 1 419.650 5.302 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000226070642 559272794 /nfs/dbraw/zinc/27/27/94/559272794.db2.gz OVAHSFANFACHDY-RZUBCFFCSA-N 1 1 419.650 5.016 40 0 HKABMO Cc1ccc(-c2nnc3sc(C4=CC[N@H+](Cc5ccccc5Cl)CC4)nn32)cc1 ZINC000226250630 569278823 /nfs/dbraw/zinc/27/88/23/569278823.db2.gz GCTYCNOXZAVBAA-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Cc1ccc(-c2nnc3sc(C4=CC[N@@H+](Cc5ccccc5Cl)CC4)nn32)cc1 ZINC000226250630 569278824 /nfs/dbraw/zinc/27/88/24/569278824.db2.gz GCTYCNOXZAVBAA-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Cc1ccccc1-c1nnc2sc(C3=CC[N@H+](Cc4ccccc4Cl)CC3)nn21 ZINC000226250663 569278839 /nfs/dbraw/zinc/27/88/39/569278839.db2.gz CUIIKIQEBLZFAA-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Cc1ccccc1-c1nnc2sc(C3=CC[N@@H+](Cc4ccccc4Cl)CC3)nn21 ZINC000226250663 569278841 /nfs/dbraw/zinc/27/88/41/569278841.db2.gz CUIIKIQEBLZFAA-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Cc1cccc(-c2nnc3sc(C4=CC[N@H+](Cc5ccccc5Cl)CC4)nn32)c1 ZINC000226250681 569278800 /nfs/dbraw/zinc/27/88/00/569278800.db2.gz WABVLFKMSCVVBF-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Cc1cccc(-c2nnc3sc(C4=CC[N@@H+](Cc5ccccc5Cl)CC4)nn32)c1 ZINC000226250681 569278802 /nfs/dbraw/zinc/27/88/02/569278802.db2.gz WABVLFKMSCVVBF-UHFFFAOYSA-N 1 1 421.957 5.104 40 0 HKABMO Clc1ccccc1C[N@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251082 569278834 /nfs/dbraw/zinc/27/88/34/569278834.db2.gz CGADDZYUEMJXNN-UHFFFAOYSA-N 1 1 403.707 5.533 40 0 HKABMO Clc1ccccc1C[N@@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251082 569278836 /nfs/dbraw/zinc/27/88/36/569278836.db2.gz CGADDZYUEMJXNN-UHFFFAOYSA-N 1 1 403.707 5.533 40 0 HKABMO Clc1ccc(C[N@H+]2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251105 569278746 /nfs/dbraw/zinc/27/87/46/569278746.db2.gz QLTMWYNFQUVLSE-UHFFFAOYSA-N 1 1 403.707 5.533 40 0 HKABMO Clc1ccc(C[N@@H+]2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251105 569278747 /nfs/dbraw/zinc/27/87/47/569278747.db2.gz QLTMWYNFQUVLSE-UHFFFAOYSA-N 1 1 403.707 5.533 40 0 HKABMO Clc1ccc(C[N@H+]2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000226251309 569278846 /nfs/dbraw/zinc/27/88/46/569278846.db2.gz CJCIYQFVUMZHRN-UHFFFAOYSA-N 1 1 400.909 6.438 40 0 HKABMO Clc1ccc(C[N@@H+]2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000226251309 569278848 /nfs/dbraw/zinc/27/88/48/569278848.db2.gz CJCIYQFVUMZHRN-UHFFFAOYSA-N 1 1 400.909 6.438 40 0 HKABMO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000226420628 559273813 /nfs/dbraw/zinc/27/38/13/559273813.db2.gz XGYONAAGJOZHRO-XHEQKNDOSA-N 1 1 407.554 5.172 40 0 HKABMO O[C@@H]1CCCC[C@@H]1[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000226644153 568696834 /nfs/dbraw/zinc/69/68/34/568696834.db2.gz TYXBYAIWRNBADF-URLMMPGGSA-N 1 1 424.588 5.995 40 0 HKABMO O[C@@H]1CCCC[C@H]1[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 ZINC000226644165 568696998 /nfs/dbraw/zinc/69/69/98/568696998.db2.gz TYXBYAIWRNBADF-FQLXRVMXSA-N 1 1 424.588 5.995 40 0 HKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000231432705 569356739 /nfs/dbraw/zinc/35/67/39/569356739.db2.gz LZMSFENOCCKTTA-XJUOHMSHSA-N 1 1 419.650 5.420 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 ZINC000231432816 569356793 /nfs/dbraw/zinc/35/67/93/569356793.db2.gz DKQZZSIPHROKMK-XJUOHMSHSA-N 1 1 419.650 5.135 40 0 HKABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 ZINC000231433004 569356735 /nfs/dbraw/zinc/35/67/35/569356735.db2.gz OVAHSFANFACHDY-VWPQPMDRSA-N 1 1 419.650 5.016 40 0 HKABMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227207 569370225 /nfs/dbraw/zinc/37/02/25/569370225.db2.gz GACVFXYUDRVNOK-JWQCQUIFSA-N 1 1 419.496 5.289 40 0 HKABMO COc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245227208 569370236 /nfs/dbraw/zinc/37/02/36/569370236.db2.gz GACVFXYUDRVNOK-LOSJGSFVSA-N 1 1 419.496 5.289 40 0 HKABMO CCOc1ccc([C@H]2CN(Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000245227432 569370256 /nfs/dbraw/zinc/37/02/56/569370256.db2.gz MENHDFSNXLOASS-KAYWLYCHSA-N 1 1 400.566 5.233 40 0 HKABMO CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000245227433 569370251 /nfs/dbraw/zinc/37/02/51/569370251.db2.gz MENHDFSNXLOASS-RRPNLBNLSA-N 1 1 400.566 5.233 40 0 HKABMO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)[N@H+]2Cc1ccccc1 ZINC000245227939 569370272 /nfs/dbraw/zinc/37/02/72/569370272.db2.gz ZHLJKTQAWJWBRF-AXJZPPOTSA-N 1 1 417.505 5.034 40 0 HKABMO COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)[N@H+]2Cc1ccccc1 ZINC000245227940 569370268 /nfs/dbraw/zinc/37/02/68/569370268.db2.gz ZHLJKTQAWJWBRF-NCAYHCJHSA-N 1 1 417.505 5.034 40 0 HKABMO CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000245240658 569370377 /nfs/dbraw/zinc/37/03/77/569370377.db2.gz RDWRBYXTTMJESU-PNIUZAESSA-N 1 1 409.573 5.962 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000248243686 569371634 /nfs/dbraw/zinc/37/16/34/569371634.db2.gz PLPUHLFQJZSMBX-BKULYWANSA-N 1 1 407.602 5.191 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000248243689 569371672 /nfs/dbraw/zinc/37/16/72/569371672.db2.gz PLPUHLFQJZSMBX-JCTONOIOSA-N 1 1 407.602 5.191 40 0 HKABMO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)cc21 ZINC000257198784 569376614 /nfs/dbraw/zinc/37/66/14/569376614.db2.gz IFQVDHKHKVDYQC-CONSUNNSSA-N 1 1 417.597 5.257 40 0 HKABMO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000257198785 569376627 /nfs/dbraw/zinc/37/66/27/569376627.db2.gz IFQVDHKHKVDYQC-POMLREGLSA-N 1 1 417.597 5.257 40 0 HKABMO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257198786 569376619 /nfs/dbraw/zinc/37/66/19/569376619.db2.gz IFQVDHKHKVDYQC-UHCVVMIDSA-N 1 1 417.597 5.257 40 0 HKABMO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)cc21 ZINC000257198787 569376636 /nfs/dbraw/zinc/37/66/36/569376636.db2.gz IFQVDHKHKVDYQC-WSKLTFMVSA-N 1 1 417.597 5.257 40 0 HKABMO COc1ccc(CC[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000257199985 569376625 /nfs/dbraw/zinc/37/66/25/569376625.db2.gz ABNQHQAHTNFOBC-HSZRJFAPSA-N 1 1 404.529 5.242 40 0 HKABMO COc1ccc(CC[N@H+]2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000257199986 569376593 /nfs/dbraw/zinc/37/65/93/569376593.db2.gz ABNQHQAHTNFOBC-QHCPKHFHSA-N 1 1 404.529 5.242 40 0 HKABMO O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257206924 569376765 /nfs/dbraw/zinc/37/67/65/569376765.db2.gz BFMPNEIKSPEAAD-DNQXCXABSA-N 1 1 410.989 5.318 40 0 HKABMO CC(C)n1cc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000257208913 569376780 /nfs/dbraw/zinc/37/67/80/569376780.db2.gz BOBCUECKGMMZJQ-KRWDZBQOSA-N 1 1 417.578 5.525 40 0 HKABMO 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569376730 /nfs/dbraw/zinc/37/67/30/569376730.db2.gz CGKNGGUNYZBLNS-HSZRJFAPSA-N 1 1 420.984 5.757 40 0 HKABMO COc1ccc(CC[N@H+]2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257213162 569376769 /nfs/dbraw/zinc/37/67/69/569376769.db2.gz CGKNGGUNYZBLNS-QHCPKHFHSA-N 1 1 420.984 5.757 40 0 HKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214234 569376775 /nfs/dbraw/zinc/37/67/75/569376775.db2.gz CLDQKHJSBZAZPX-HHHXNRCGSA-N 1 1 411.549 5.510 40 0 HKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214235 569376873 /nfs/dbraw/zinc/37/68/73/569376873.db2.gz CLDQKHJSBZAZPX-MHZLTWQESA-N 1 1 411.549 5.510 40 0 HKABMO COc1ccc(CCCNc2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257215763 569376844 /nfs/dbraw/zinc/37/68/44/569376844.db2.gz CROCJQSNLMRTOD-JOCHJYFZSA-N 1 1 407.602 5.647 40 0 HKABMO COc1ccc(CCCNc2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257215764 569376887 /nfs/dbraw/zinc/37/68/87/569376887.db2.gz CROCJQSNLMRTOD-QFIPXVFZSA-N 1 1 407.602 5.647 40 0 HKABMO CC(C)C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@H]1Nc1cccc(F)c1 ZINC000257215802 569376902 /nfs/dbraw/zinc/37/69/02/569376902.db2.gz CRSKIPSLVGTDDT-SQJMNOBHSA-N 1 1 423.576 5.301 40 0 HKABMO Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)cc1 ZINC000257221689 569376859 /nfs/dbraw/zinc/37/68/59/569376859.db2.gz DQCOWENYVZGCLL-XSBVVTFOSA-N 1 1 417.549 5.580 40 0 HKABMO C[NH+](C)Cc1cccc([C@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 ZINC000257223494 569376879 /nfs/dbraw/zinc/37/68/79/569376879.db2.gz DXPFRUKIJGJKHM-RUZDIDTESA-N 1 1 419.544 5.198 40 0 HKABMO C[NH+](C)Cc1cccc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 ZINC000257223495 569376894 /nfs/dbraw/zinc/37/68/94/569376894.db2.gz DXPFRUKIJGJKHM-VWLOTQADSA-N 1 1 419.544 5.198 40 0 HKABMO CCCC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000257226917 569376974 /nfs/dbraw/zinc/37/69/74/569376974.db2.gz FMSSQXCWNMAUAT-UHFFFAOYSA-N 1 1 412.618 5.401 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cc(F)ccc2Oc2ccccc2)[C@@H]1O ZINC000257228630 569377036 /nfs/dbraw/zinc/37/70/36/569377036.db2.gz FUPVCNIQLYAMBB-QIGHUWCUSA-N 1 1 421.512 5.411 40 0 HKABMO COc1ccc(OCCNc2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257229691 569377011 /nfs/dbraw/zinc/37/70/11/569377011.db2.gz FZDVERMHOFTTGY-FQEVSTJZSA-N 1 1 409.574 5.093 40 0 HKABMO COc1ccc(OCCNc2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000257229692 569377006 /nfs/dbraw/zinc/37/70/06/569377006.db2.gz FZDVERMHOFTTGY-HXUWFJFHSA-N 1 1 409.574 5.093 40 0 HKABMO C[N@@H+](CC1CCCCC1)C1CCC2(CC1)CN(C(=O)C1CCC1)Cc1ccccc1O2 ZINC000257229865 569377008 /nfs/dbraw/zinc/37/70/08/569377008.db2.gz FZTSBFLAXSLVOD-UHFFFAOYSA-N 1 1 424.629 5.401 40 0 HKABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 ZINC000257231460 569377016 /nfs/dbraw/zinc/37/70/16/569377016.db2.gz GGTYLKLJVZWBDA-NRFANRHFSA-N 1 1 417.553 5.270 40 0 HKABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 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NRUSEGFKOBNTOZ-IBGZPJMESA-N 1 1 412.541 5.093 40 0 HKABMO Cc1ccnc(Nc2cc([C@@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 ZINC000257275973 569377552 /nfs/dbraw/zinc/37/75/52/569377552.db2.gz NRUSEGFKOBNTOZ-LJQANCHMSA-N 1 1 412.541 5.093 40 0 HKABMO Clc1ccc2[nH]c(C[NH+]3CCC(c4cccc(Nc5ccccn5)n4)CC3)nc2c1 ZINC000257276021 569377484 /nfs/dbraw/zinc/37/74/84/569377484.db2.gz NSBBYGQLEPUBMB-UHFFFAOYSA-N 1 1 418.932 5.130 40 0 HKABMO COc1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2CO)ccc1OC(C)C ZINC000257279904 569377559 /nfs/dbraw/zinc/37/75/59/569377559.db2.gz OIQGUNRYCWMKES-UHFFFAOYSA-N 1 1 405.538 5.177 40 0 HKABMO CCN1CC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)Oc2ccccc2C1=O ZINC000257281126 569377644 /nfs/dbraw/zinc/37/76/44/569377644.db2.gz ONTBEYONDLFSFS-UHFFFAOYSA-N 1 1 412.618 5.515 40 0 HKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257284637 569377682 /nfs/dbraw/zinc/37/76/82/569377682.db2.gz PDOXKSAMJZNTFN-RPLLCQBOSA-N 1 1 414.524 5.131 40 0 HKABMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccc1 ZINC000257286869 569377640 /nfs/dbraw/zinc/37/76/40/569377640.db2.gz PNJQYGCAEAVVKK-VABKMULXSA-N 1 1 410.533 5.051 40 0 HKABMO FC(F)(F)c1cccc(Cc2ccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)c1 ZINC000257291903 569377822 /nfs/dbraw/zinc/37/78/22/569377822.db2.gz QJEPVYFFMZDZER-HSZRJFAPSA-N 1 1 424.510 6.113 40 0 HKABMO FC(F)(F)c1cccc(Cc2ccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)c1 ZINC000257291904 569377830 /nfs/dbraw/zinc/37/78/30/569377830.db2.gz QJEPVYFFMZDZER-QHCPKHFHSA-N 1 1 424.510 6.113 40 0 HKABMO CC(C)C(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000257294900 569377843 /nfs/dbraw/zinc/37/78/43/569377843.db2.gz QWESQXMQBHYFMV-UHFFFAOYSA-N 1 1 412.618 5.257 40 0 HKABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257295338 569377848 /nfs/dbraw/zinc/37/78/48/569377848.db2.gz QXXXGGRBNRTNES-HSZRJFAPSA-N 1 1 424.510 6.379 40 0 HKABMO Cc1cccc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257295339 569377803 /nfs/dbraw/zinc/37/78/03/569377803.db2.gz QXXXGGRBNRTNES-QHCPKHFHSA-N 1 1 424.510 6.379 40 0 HKABMO O=C(Cc1cccc(Cl)c1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257296815 569377850 /nfs/dbraw/zinc/37/78/50/569377850.db2.gz REMVWBYMLWKFEU-ISKFKSNPSA-N 1 1 423.000 5.176 40 0 HKABMO O=C(Cc1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257296816 569377845 /nfs/dbraw/zinc/37/78/45/569377845.db2.gz REMVWBYMLWKFEU-LADGPHEKSA-N 1 1 423.000 5.176 40 0 HKABMO O=C(Cc1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257296817 569377835 /nfs/dbraw/zinc/37/78/35/569377835.db2.gz REMVWBYMLWKFEU-UPVQGACJSA-N 1 1 423.000 5.176 40 0 HKABMO O=C(Cc1cccc(Cl)c1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257296818 569377839 /nfs/dbraw/zinc/37/78/39/569377839.db2.gz REMVWBYMLWKFEU-VWNXMTODSA-N 1 1 423.000 5.176 40 0 HKABMO COc1cccc([C@H]2C[C@@H]3CCN(c4ccccc4)C(=O)[C@@H]3[N@H+]2Cc2ccccc2)c1 ZINC000257299404 569377815 /nfs/dbraw/zinc/37/78/15/569377815.db2.gz RPYJNLLWJPVBSQ-HDYLNDSGSA-N 1 1 412.533 5.064 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299481 569377736 /nfs/dbraw/zinc/37/77/36/569377736.db2.gz RQGPYPBCJMDQSU-CTNGQTDRSA-N 1 1 409.574 5.110 40 0 HKABMO C[C@@H](CC[N@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299482 569377769 /nfs/dbraw/zinc/37/77/69/569377769.db2.gz RQGPYPBCJMDQSU-FPOVZHCZSA-N 1 1 409.574 5.110 40 0 HKABMO C[C@@H](CC[N@H+]1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299483 569377756 /nfs/dbraw/zinc/37/77/56/569377756.db2.gz RQGPYPBCJMDQSU-PZJWPPBQSA-N 1 1 409.574 5.110 40 0 HKABMO C[C@H](CC[N@H+]1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299484 569377825 /nfs/dbraw/zinc/37/78/25/569377825.db2.gz RQGPYPBCJMDQSU-TZIWHRDSSA-N 1 1 409.574 5.110 40 0 HKABMO CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000257304069 569377945 /nfs/dbraw/zinc/37/79/45/569377945.db2.gz SJYCAEIBBFHZTE-NRFANRHFSA-N 1 1 424.589 5.177 40 0 HKABMO CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000257304070 569377991 /nfs/dbraw/zinc/37/79/91/569377991.db2.gz SJYCAEIBBFHZTE-OAQYLSRUSA-N 1 1 424.589 5.177 40 0 HKABMO Clc1ccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)nc1 ZINC000257309987 569377929 /nfs/dbraw/zinc/37/79/29/569377929.db2.gz UDFCZYHNLFZUBC-PZJWPPBQSA-N 1 1 419.352 5.283 40 0 HKABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000257313555 569378037 /nfs/dbraw/zinc/37/80/37/569378037.db2.gz UTDLVDPIUXPMOS-JOCHJYFZSA-N 1 1 423.022 5.056 40 0 HKABMO Cc1nc([C@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccccc1Cl ZINC000257313556 569378072 /nfs/dbraw/zinc/37/80/72/569378072.db2.gz UTDLVDPIUXPMOS-QFIPXVFZSA-N 1 1 423.022 5.056 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257317020 569378126 /nfs/dbraw/zinc/37/81/26/569378126.db2.gz VIAISEZDPXDNRI-DNRSQYFGSA-N 1 1 403.522 5.272 40 0 HKABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257317488 569378044 /nfs/dbraw/zinc/37/80/44/569378044.db2.gz VJXYLIOVPOCFGU-UHFFFAOYSA-N 1 1 412.618 5.401 40 0 HKABMO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]21 ZINC000257324879 569378158 /nfs/dbraw/zinc/37/81/58/569378158.db2.gz WQONNACJWVCRMA-LDVJMBRRSA-N 1 1 403.488 6.226 40 0 HKABMO CCC[N@H+]1CC[C@@H]2[C@H]([C@@H](c3ccccc3)C1)N(c1ccccc1)C(=O)N2CC(C)C ZINC000257328613 569378220 /nfs/dbraw/zinc/37/82/20/569378220.db2.gz XGKOVYDLRAMZDF-SDHSZQHLSA-N 1 1 405.586 5.221 40 0 HKABMO COc1ccc(CC[N@H+]2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 ZINC000257328738 569378153 /nfs/dbraw/zinc/37/81/53/569378153.db2.gz XGWZUZQBCPBDOP-NRFANRHFSA-N 1 1 422.519 5.381 40 0 HKABMO COc1ccc(CC[N@H+]2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 ZINC000257328739 569378252 /nfs/dbraw/zinc/37/82/52/569378252.db2.gz XGWZUZQBCPBDOP-OAQYLSRUSA-N 1 1 422.519 5.381 40 0 HKABMO Fc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)nc2)c1 ZINC000257334808 569378255 /nfs/dbraw/zinc/37/82/55/569378255.db2.gz YHLFNRUQFSGOPK-HSZRJFAPSA-N 1 1 411.524 5.739 40 0 HKABMO Fc1cccc(Cc2ccc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)nc2)c1 ZINC000257334809 569378179 /nfs/dbraw/zinc/37/81/79/569378179.db2.gz YHLFNRUQFSGOPK-QHCPKHFHSA-N 1 1 411.524 5.739 40 0 HKABMO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337755 569378292 /nfs/dbraw/zinc/37/82/92/569378292.db2.gz YUFGHBNCTTUHSN-HSZRJFAPSA-N 1 1 414.446 6.167 40 0 HKABMO Fc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000257337756 569378367 /nfs/dbraw/zinc/37/83/67/569378367.db2.gz YUFGHBNCTTUHSN-QHCPKHFHSA-N 1 1 414.446 6.167 40 0 HKABMO NC(=O)c1ccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338541 569378272 /nfs/dbraw/zinc/37/82/72/569378272.db2.gz YXWWZEZXPPRGCL-AREMUKBSSA-N 1 1 422.532 5.123 40 0 HKABMO NC(=O)c1ccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338542 569378314 /nfs/dbraw/zinc/37/83/14/569378314.db2.gz YXWWZEZXPPRGCL-SANMLTNESA-N 1 1 422.532 5.123 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O ZINC000257339978 569378374 /nfs/dbraw/zinc/37/83/74/569378374.db2.gz ZDZSTXZEOQHCGR-VDKIKQQVSA-N 1 1 421.512 5.411 40 0 HKABMO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260492704 569379553 /nfs/dbraw/zinc/37/95/53/569379553.db2.gz MQACNSIEWQLTOA-NBGIEHNGSA-N 1 1 408.586 5.444 40 0 HKABMO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c2ccccc2O1 ZINC000260762376 569379873 /nfs/dbraw/zinc/37/98/73/569379873.db2.gz IHPUXPYBGSUASL-GBXCKJPGSA-N 1 1 420.597 5.731 40 0 HKABMO CCC1(CC)C[C@H](NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c2ccccc2O1 ZINC000260762380 569379845 /nfs/dbraw/zinc/37/98/45/569379845.db2.gz IHPUXPYBGSUASL-RDPSFJRHSA-N 1 1 420.597 5.731 40 0 HKABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764704 569379822 /nfs/dbraw/zinc/37/98/22/569379822.db2.gz LKRLKZUTVXYBTG-RBBKRZOGSA-N 1 1 414.977 5.137 40 0 HKABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764706 569379850 /nfs/dbraw/zinc/37/98/50/569379850.db2.gz LKRLKZUTVXYBTG-UNMCSNQZSA-N 1 1 414.977 5.137 40 0 HKABMO CCC1(CC)C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810758 569380209 /nfs/dbraw/zinc/38/02/09/569380209.db2.gz JYZQIPSFXPXTNJ-NZQKXSOJSA-N 1 1 424.560 5.237 40 0 HKABMO CCC1(CC)C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810766 569380267 /nfs/dbraw/zinc/38/02/67/569380267.db2.gz JYZQIPSFXPXTNJ-REWPJTCUSA-N 1 1 424.560 5.237 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260812366 569380160 /nfs/dbraw/zinc/38/01/60/569380160.db2.gz AVHIXTJSEXEUJC-HXUWFJFHSA-N 1 1 402.579 5.008 40 0 HKABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812384 569380140 /nfs/dbraw/zinc/38/01/40/569380140.db2.gz AZYIGLLFSDGIJG-HYBUGGRVSA-N 1 1 404.595 5.110 40 0 HKABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812389 569380194 /nfs/dbraw/zinc/38/01/94/569380194.db2.gz AZYIGLLFSDGIJG-YKSBVNFPSA-N 1 1 404.595 5.110 40 0 HKABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812431 569380238 /nfs/dbraw/zinc/38/02/38/569380238.db2.gz BKFREOASLTYGHN-HYBUGGRVSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812435 569380198 /nfs/dbraw/zinc/38/01/98/569380198.db2.gz BKFREOASLTYGHN-YKSBVNFPSA-N 1 1 404.595 5.254 40 0 HKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCC2)c1 ZINC000260812518 569380258 /nfs/dbraw/zinc/38/02/58/569380258.db2.gz DULQQBKQBLOWDY-QFIPXVFZSA-N 1 1 420.597 5.556 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812521 569380248 /nfs/dbraw/zinc/38/02/48/569380248.db2.gz DXZVBTNARMVXHV-OFVILXPXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812522 569380188 /nfs/dbraw/zinc/38/01/88/569380188.db2.gz DXZVBTNARMVXHV-SQJMNOBHSA-N 1 1 418.622 5.501 40 0 HKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260812523 569380116 /nfs/dbraw/zinc/38/01/16/569380116.db2.gz FCOSGRDJCUTVMJ-QFIPXVFZSA-N 1 1 420.597 5.556 40 0 HKABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812532 569380232 /nfs/dbraw/zinc/38/02/32/569380232.db2.gz FMUMRISIXVPUSY-GBXCKJPGSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812535 569380262 /nfs/dbraw/zinc/38/02/62/569380262.db2.gz FMUMRISIXVPUSY-RDPSFJRHSA-N 1 1 404.595 5.111 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260812596 569380244 /nfs/dbraw/zinc/38/02/44/569380244.db2.gz HMUHJAGFGCYDRA-YOOZRZFBSA-N 1 1 416.606 5.254 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260812612 569380166 /nfs/dbraw/zinc/38/01/66/569380166.db2.gz HRJQDEUSAHATLO-HXUWFJFHSA-N 1 1 402.579 5.008 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812617 569380270 /nfs/dbraw/zinc/38/02/70/569380270.db2.gz HXZRBLHJDVOPBD-BPYKYCOYSA-N 1 1 416.606 5.111 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812622 569380254 /nfs/dbraw/zinc/38/02/54/569380254.db2.gz HXZRBLHJDVOPBD-STWLZBDKSA-N 1 1 416.606 5.111 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260812625 569380202 /nfs/dbraw/zinc/38/02/02/569380202.db2.gz HXZRBLHJDVOPBD-TYBLODHISA-N 1 1 416.606 5.111 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814459 569380124 /nfs/dbraw/zinc/38/01/24/569380124.db2.gz IOWJIHRAIYEEDN-BPYKYCOYSA-N 1 1 416.606 5.111 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814460 569380256 /nfs/dbraw/zinc/38/02/56/569380256.db2.gz IOWJIHRAIYEEDN-STWLZBDKSA-N 1 1 416.606 5.111 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814461 569380150 /nfs/dbraw/zinc/38/01/50/569380150.db2.gz IOWJIHRAIYEEDN-TYBLODHISA-N 1 1 416.606 5.111 40 0 HKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814496 569380181 /nfs/dbraw/zinc/38/01/81/569380181.db2.gz JQOISLWDRAJYCC-OAQYLSRUSA-N 1 1 418.622 5.356 40 0 HKABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814507 569380121 /nfs/dbraw/zinc/38/01/21/569380121.db2.gz KAMVYTHOCWZQRY-GBXCKJPGSA-N 1 1 404.595 5.111 40 0 HKABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814510 569380154 /nfs/dbraw/zinc/38/01/54/569380154.db2.gz KAMVYTHOCWZQRY-RDPSFJRHSA-N 1 1 404.595 5.111 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814526 569380144 /nfs/dbraw/zinc/38/01/44/569380144.db2.gz KIZABORJMJDYAW-BPYKYCOYSA-N 1 1 416.606 5.254 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260814532 569380264 /nfs/dbraw/zinc/38/02/64/569380264.db2.gz KIZABORJMJDYAW-DNRQZRRGSA-N 1 1 416.606 5.254 40 0 HKABMO CCCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814536 569380229 /nfs/dbraw/zinc/38/02/29/569380229.db2.gz KIZABORJMJDYAW-STWLZBDKSA-N 1 1 416.606 5.254 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260814539 569380128 /nfs/dbraw/zinc/38/01/28/569380128.db2.gz KKFNYMWOAOVDKT-YOOZRZFBSA-N 1 1 416.606 5.254 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814610 569380132 /nfs/dbraw/zinc/38/01/32/569380132.db2.gz LKZSARKEWIKOOG-BWKNWUBXSA-N 1 1 418.622 5.644 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814617 569380215 /nfs/dbraw/zinc/38/02/15/569380215.db2.gz LKZSARKEWIKOOG-PXDATVDWSA-N 1 1 418.622 5.644 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260814630 569380136 /nfs/dbraw/zinc/38/01/36/569380136.db2.gz LQFSJUQKGAKSJR-NRFANRHFSA-N 1 1 416.606 5.255 40 0 HKABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814641 569380260 /nfs/dbraw/zinc/38/02/60/569380260.db2.gz LXMSGLSANCIWIF-HYBUGGRVSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814646 569380221 /nfs/dbraw/zinc/38/02/21/569380221.db2.gz LXMSGLSANCIWIF-YKSBVNFPSA-N 1 1 404.595 5.254 40 0 HKABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260814653 569380177 /nfs/dbraw/zinc/38/01/77/569380177.db2.gz MAUBXGBFAZVBJD-HXUWFJFHSA-N 1 1 402.579 5.008 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260814668 569380170 /nfs/dbraw/zinc/38/01/70/569380170.db2.gz MESYLMDKPRJZFP-OAQYLSRUSA-N 1 1 416.606 5.398 40 0 HKABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816723 569380373 /nfs/dbraw/zinc/38/03/73/569380373.db2.gz OIWNDTWEBBBVDP-HYBUGGRVSA-N 1 1 404.595 5.254 40 0 HKABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816724 569380278 /nfs/dbraw/zinc/38/02/78/569380278.db2.gz OIWNDTWEBBBVDP-YKSBVNFPSA-N 1 1 404.595 5.254 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816727 569380295 /nfs/dbraw/zinc/38/02/95/569380295.db2.gz OSEDLCMJMAFEEX-OAQYLSRUSA-N 1 1 416.606 5.398 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260816728 569380310 /nfs/dbraw/zinc/38/03/10/569380310.db2.gz OUSMVEHFTWLTHX-HXUWFJFHSA-N 1 1 402.579 5.008 40 0 HKABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816742 569380400 /nfs/dbraw/zinc/38/04/00/569380400.db2.gz PMABKURIJQUDRM-GBXCKJPGSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816744 569380369 /nfs/dbraw/zinc/38/03/69/569380369.db2.gz PMABKURIJQUDRM-RDPSFJRHSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816760 569380292 /nfs/dbraw/zinc/38/02/92/569380292.db2.gz PTUWNONDOSOZEY-HYBUGGRVSA-N 1 1 404.595 5.254 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816764 569380384 /nfs/dbraw/zinc/38/03/84/569380384.db2.gz PTUWNONDOSOZEY-YKSBVNFPSA-N 1 1 404.595 5.254 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816768 569380437 /nfs/dbraw/zinc/38/04/37/569380437.db2.gz PXJHODXPTRCRNN-HXUWFJFHSA-N 1 1 402.579 5.008 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260816807 569380281 /nfs/dbraw/zinc/38/02/81/569380281.db2.gz QMSZOYJHAHQGAX-NRFANRHFSA-N 1 1 416.606 5.255 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260816811 569380351 /nfs/dbraw/zinc/38/03/51/569380351.db2.gz QQAIJZWRFPQGSN-BPYKYCOYSA-N 1 1 416.606 5.254 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260816815 569380339 /nfs/dbraw/zinc/38/03/39/569380339.db2.gz QQAIJZWRFPQGSN-DNRQZRRGSA-N 1 1 416.606 5.254 40 0 HKABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260816818 569380404 /nfs/dbraw/zinc/38/04/04/569380404.db2.gz QQAIJZWRFPQGSN-STWLZBDKSA-N 1 1 416.606 5.254 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816851 569380299 /nfs/dbraw/zinc/38/02/99/569380299.db2.gz RESNLXHLNWNLGN-HYBUGGRVSA-N 1 1 404.595 5.110 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816855 569380426 /nfs/dbraw/zinc/38/04/26/569380426.db2.gz RESNLXHLNWNLGN-YKSBVNFPSA-N 1 1 404.595 5.110 40 0 HKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCCC2)c1 ZINC000260816865 569380435 /nfs/dbraw/zinc/38/04/35/569380435.db2.gz RICRTEYNGYTFLJ-JOCHJYFZSA-N 1 1 420.597 5.699 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816869 569380418 /nfs/dbraw/zinc/38/04/18/569380418.db2.gz RKNOXLGCMMAZAD-BWKNWUBXSA-N 1 1 418.622 5.500 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816873 569380392 /nfs/dbraw/zinc/38/03/92/569380392.db2.gz RKNOXLGCMMAZAD-PXDATVDWSA-N 1 1 418.622 5.500 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816911 569380305 /nfs/dbraw/zinc/38/03/05/569380305.db2.gz SADJLLNGLYXYGC-BWKNWUBXSA-N 1 1 418.622 5.644 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816915 569380376 /nfs/dbraw/zinc/38/03/76/569380376.db2.gz SADJLLNGLYXYGC-PXDATVDWSA-N 1 1 418.622 5.644 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816946 569380335 /nfs/dbraw/zinc/38/03/35/569380335.db2.gz SLESWSKNIAROBD-HYBUGGRVSA-N 1 1 404.595 5.254 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816951 569380408 /nfs/dbraw/zinc/38/04/08/569380408.db2.gz SLESWSKNIAROBD-YKSBVNFPSA-N 1 1 404.595 5.254 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260816990 569380285 /nfs/dbraw/zinc/38/02/85/569380285.db2.gz TZYVWCFXTXHMEU-OAQYLSRUSA-N 1 1 416.606 5.398 40 0 HKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816994 569380396 /nfs/dbraw/zinc/38/03/96/569380396.db2.gz UDSSAGQUWUAAQZ-BWKNWUBXSA-N 1 1 418.622 5.644 40 0 HKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816997 569380329 /nfs/dbraw/zinc/38/03/29/569380329.db2.gz UDSSAGQUWUAAQZ-PXDATVDWSA-N 1 1 418.622 5.644 40 0 HKABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817003 569380430 /nfs/dbraw/zinc/38/04/30/569380430.db2.gz UEOLEYFTAPESDU-NRFANRHFSA-N 1 1 418.622 5.213 40 0 HKABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260817006 569380439 /nfs/dbraw/zinc/38/04/39/569380439.db2.gz UKIHROCSYJEUPP-JQJXBVGUSA-N 1 1 416.606 5.111 40 0 HKABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817010 569380318 /nfs/dbraw/zinc/38/03/18/569380318.db2.gz UKOKJOCKLRONSK-GBXCKJPGSA-N 1 1 404.595 5.111 40 0 HKABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817015 569380411 /nfs/dbraw/zinc/38/04/11/569380411.db2.gz UKOKJOCKLRONSK-RDPSFJRHSA-N 1 1 404.595 5.111 40 0 HKABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817027 569380379 /nfs/dbraw/zinc/38/03/79/569380379.db2.gz UMKUXPGPQHRTGM-OFVILXPXSA-N 1 1 418.622 5.357 40 0 HKABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817031 569380343 /nfs/dbraw/zinc/38/03/43/569380343.db2.gz UMKUXPGPQHRTGM-SQJMNOBHSA-N 1 1 418.622 5.357 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817047 569380367 /nfs/dbraw/zinc/38/03/67/569380367.db2.gz VPWMWOZJYURSRM-GBXCKJPGSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260817049 569380289 /nfs/dbraw/zinc/38/02/89/569380289.db2.gz VPWMWOZJYURSRM-RDPSFJRHSA-N 1 1 404.595 5.111 40 0 HKABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818175 569380314 /nfs/dbraw/zinc/38/03/14/569380314.db2.gz WQTXITUSWDIYKN-OFVILXPXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818178 569380363 /nfs/dbraw/zinc/38/03/63/569380363.db2.gz WQTXITUSWDIYKN-SQJMNOBHSA-N 1 1 418.622 5.501 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260818196 569380325 /nfs/dbraw/zinc/38/03/25/569380325.db2.gz XJLXJMRJSUAKJQ-NRFANRHFSA-N 1 1 416.606 5.255 40 0 HKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCCC2)cc1 ZINC000260818219 569380354 /nfs/dbraw/zinc/38/03/54/569380354.db2.gz YAKHYHIUPBYSOY-JOCHJYFZSA-N 1 1 420.597 5.699 40 0 HKABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818232 569380321 /nfs/dbraw/zinc/38/03/21/569380321.db2.gz YJSYRUXMQKOADK-OFVILXPXSA-N 1 1 418.622 5.501 40 0 HKABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818233 569380387 /nfs/dbraw/zinc/38/03/87/569380387.db2.gz YJSYRUXMQKOADK-SQJMNOBHSA-N 1 1 418.622 5.501 40 0 HKABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260818243 569380358 /nfs/dbraw/zinc/38/03/58/569380358.db2.gz ZXVQFDSPLULYNX-JQJXBVGUSA-N 1 1 416.606 5.111 40 0 HKABMO CC(C)n1c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2sc1=O ZINC000260902598 569380474 /nfs/dbraw/zinc/38/04/74/569380474.db2.gz SWDPZUODZXAHQL-KRWDZBQOSA-N 1 1 423.582 5.128 40 0 HKABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917316 569380496 /nfs/dbraw/zinc/38/04/96/569380496.db2.gz CYOSFXFDJUIMNR-JPYJTQIMSA-N 1 1 410.989 5.308 40 0 HKABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917320 569380524 /nfs/dbraw/zinc/38/05/24/569380524.db2.gz CYOSFXFDJUIMNR-MBSDFSHPSA-N 1 1 410.989 5.308 40 0 HKABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924524 569380563 /nfs/dbraw/zinc/38/05/63/569380563.db2.gz IFNYCQWQHPRAOO-UKILVPOCSA-N 1 1 408.561 5.184 40 0 HKABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924526 569380596 /nfs/dbraw/zinc/38/05/96/569380596.db2.gz IFNYCQWQHPRAOO-ZCYQVOJMSA-N 1 1 408.561 5.184 40 0 HKABMO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260941214 569380459 /nfs/dbraw/zinc/38/04/59/569380459.db2.gz RRSWGAIHAOTNGJ-FPOVZHCZSA-N 1 1 422.613 5.850 40 0 HKABMO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C(C)C ZINC000260941216 569380520 /nfs/dbraw/zinc/38/05/20/569380520.db2.gz RRSWGAIHAOTNGJ-PZJWPPBQSA-N 1 1 422.613 5.850 40 0 HKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000260951624 569380480 /nfs/dbraw/zinc/38/04/80/569380480.db2.gz YRIHJJINHCOHCJ-FNZWTVRRSA-N 1 1 404.598 5.678 40 0 HKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000260951628 569380470 /nfs/dbraw/zinc/38/04/70/569380470.db2.gz YRIHJJINHCOHCJ-RXFWQSSRSA-N 1 1 404.598 5.678 40 0 HKABMO CC(=O)Nc1cc(Oc2ccc3c([nH+]c(Nc4ccc(F)cc4F)n3C)c2C)ccn1 ZINC000263614455 569317028 /nfs/dbraw/zinc/31/70/28/569317028.db2.gz KQQLBXFPTDVFAJ-UHFFFAOYSA-N 1 1 423.423 5.049 40 0 in-vitro HKABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328962561 569384337 /nfs/dbraw/zinc/38/43/37/569384337.db2.gz BIXRBQUBUSHIJF-UHFFFAOYSA-N 1 1 420.479 5.416 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328969946 569384395 /nfs/dbraw/zinc/38/43/95/569384395.db2.gz DHCKBTLDXHMYQL-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328969946 569384397 /nfs/dbraw/zinc/38/43/97/569384397.db2.gz DHCKBTLDXHMYQL-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328969947 569384351 /nfs/dbraw/zinc/38/43/51/569384351.db2.gz DHCKBTLDXHMYQL-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328969947 569384352 /nfs/dbraw/zinc/38/43/52/569384352.db2.gz DHCKBTLDXHMYQL-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C(C)C)n1 ZINC000328972607 569384345 /nfs/dbraw/zinc/38/43/45/569384345.db2.gz DVTSJSKUKFBZTA-AWEZNQCLSA-N 1 1 408.468 5.272 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C(C)C)n1 ZINC000328972608 569384440 /nfs/dbraw/zinc/38/44/40/569384440.db2.gz DVTSJSKUKFBZTA-CQSZACIVSA-N 1 1 408.468 5.272 40 0 HKABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000328973639 569384382 /nfs/dbraw/zinc/38/43/82/569384382.db2.gz FBVSCUXXLLAQIZ-UHFFFAOYSA-N 1 1 408.590 5.135 40 0 HKABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328977367 569384534 /nfs/dbraw/zinc/38/45/34/569384534.db2.gz FTNOBMMCTRTVSS-UHFFFAOYSA-N 1 1 415.379 5.280 40 0 HKABMO Brc1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000328980788 569384593 /nfs/dbraw/zinc/38/45/93/569384593.db2.gz GPDQJSRKQBZIPJ-UHFFFAOYSA-N 1 1 413.363 5.034 40 0 HKABMO Brc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000328980788 569384595 /nfs/dbraw/zinc/38/45/95/569384595.db2.gz GPDQJSRKQBZIPJ-UHFFFAOYSA-N 1 1 413.363 5.034 40 0 HKABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328994453 569384514 /nfs/dbraw/zinc/38/45/14/569384514.db2.gz JEAKVGQPETUQRI-UHFFFAOYSA-N 1 1 420.479 5.416 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329008082 569384736 /nfs/dbraw/zinc/38/47/36/569384736.db2.gz LOPSAHINJBDMBL-AWEZNQCLSA-N 1 1 403.368 5.136 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329008083 569384753 /nfs/dbraw/zinc/38/47/53/569384753.db2.gz LOPSAHINJBDMBL-CQSZACIVSA-N 1 1 403.368 5.136 40 0 HKABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329032788 569384630 /nfs/dbraw/zinc/38/46/30/569384630.db2.gz QPYLKSNQOXSCHZ-UHFFFAOYSA-N 1 1 416.569 5.002 40 0 HKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329033787 569384692 /nfs/dbraw/zinc/38/46/92/569384692.db2.gz QWBPUXJDNGEQDC-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HKABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329033787 569384694 /nfs/dbraw/zinc/38/46/94/569384694.db2.gz QWBPUXJDNGEQDC-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HKABMO Brc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329040742 569384842 /nfs/dbraw/zinc/38/48/42/569384842.db2.gz SEIZSOGWAMBVFC-UHFFFAOYSA-N 1 1 413.363 5.034 40 0 HKABMO Brc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329040742 569384843 /nfs/dbraw/zinc/38/48/43/569384843.db2.gz SEIZSOGWAMBVFC-UHFFFAOYSA-N 1 1 413.363 5.034 40 0 HKABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329043639 569384892 /nfs/dbraw/zinc/38/48/92/569384892.db2.gz STAMKCBQKQVAKE-UHFFFAOYSA-N 1 1 415.379 5.280 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C(C)C)n1 ZINC000329056128 569384859 /nfs/dbraw/zinc/38/48/59/569384859.db2.gz VRKNOVUOWPGPPD-AWEZNQCLSA-N 1 1 403.368 5.136 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C(C)C)n1 ZINC000329056129 569384882 /nfs/dbraw/zinc/38/48/82/569384882.db2.gz VRKNOVUOWPGPPD-CQSZACIVSA-N 1 1 403.368 5.136 40 0 HKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000329063448 569384995 /nfs/dbraw/zinc/38/49/95/569384995.db2.gz XEPMTAKOCSUACV-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HKABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000329063448 569384996 /nfs/dbraw/zinc/38/49/96/569384996.db2.gz XEPMTAKOCSUACV-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329064390 569384968 /nfs/dbraw/zinc/38/49/68/569384968.db2.gz XJSMQFFNVCNPAI-AWEZNQCLSA-N 1 1 408.468 5.272 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329064393 569385035 /nfs/dbraw/zinc/38/50/35/569385035.db2.gz XJSMQFFNVCNPAI-CQSZACIVSA-N 1 1 408.468 5.272 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329069088 569385047 /nfs/dbraw/zinc/38/50/47/569385047.db2.gz YUTMWKFZEZDOJD-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329069088 569385049 /nfs/dbraw/zinc/38/50/49/569385049.db2.gz YUTMWKFZEZDOJD-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329069090 569385015 /nfs/dbraw/zinc/38/50/15/569385015.db2.gz YUTMWKFZEZDOJD-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HKABMO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329069090 569385017 /nfs/dbraw/zinc/38/50/17/569385017.db2.gz YUTMWKFZEZDOJD-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HKABMO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000408575616 557479143 /nfs/dbraw/zinc/47/91/43/557479143.db2.gz OCUJECNOHQKJIN-UHFFFAOYSA-N 1 1 400.522 5.284 40 0 HKABMO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000408577241 558514848 /nfs/dbraw/zinc/51/48/48/558514848.db2.gz XKZVEXFIZTWFOO-UHFFFAOYSA-N 1 1 400.522 5.284 40 0 HKABMO O=C(Nc1c(Cl)cccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408580569 558516046 /nfs/dbraw/zinc/51/60/46/558516046.db2.gz RHHGYSXIVJRFMN-UHFFFAOYSA-N 1 1 411.332 5.804 40 0 HKABMO Clc1ccc([NH+]=C(NC2CCCCC2)C(c2ccccc2)c2ccccc2)cc1 ZINC000408822731 560645235 /nfs/dbraw/zinc/64/52/35/560645235.db2.gz UUKAOYXLLZENGA-UHFFFAOYSA-N 1 1 402.969 7.091 40 0 HKABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987499 558839076 /nfs/dbraw/zinc/83/90/76/558839076.db2.gz FNDUGEQPIQSALJ-JOCHJYFZSA-N 1 1 424.566 5.165 40 0 HKABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987502 558838988 /nfs/dbraw/zinc/83/89/88/558838988.db2.gz FNDUGEQPIQSALJ-QFIPXVFZSA-N 1 1 424.566 5.165 40 0 HKABMO Cc1ccc(SCc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000409409618 559075422 /nfs/dbraw/zinc/07/54/22/559075422.db2.gz IXXUEKVTODRHAR-UHFFFAOYSA-N 1 1 416.590 5.245 40 0 HKABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000585100020 569029865 /nfs/dbraw/zinc/02/98/65/569029865.db2.gz CKSKXLCMPDZMRE-HHHXNRCGSA-N 1 1 404.598 5.666 40 0 HKABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000585100021 559023727 /nfs/dbraw/zinc/02/37/27/559023727.db2.gz CKSKXLCMPDZMRE-MHZLTWQESA-N 1 1 404.598 5.666 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000585100096 569029820 /nfs/dbraw/zinc/02/98/20/569029820.db2.gz FSMUSEATWBGJPP-AREMUKBSSA-N 1 1 408.561 5.496 40 0 HKABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000585100097 569029829 /nfs/dbraw/zinc/02/98/29/569029829.db2.gz FSMUSEATWBGJPP-SANMLTNESA-N 1 1 408.561 5.496 40 0 HKABMO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100408 569029870 /nfs/dbraw/zinc/02/98/70/569029870.db2.gz QZCHTGIBWSQTFR-HSZRJFAPSA-N 1 1 418.915 5.279 40 0 HKABMO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100409 569029816 /nfs/dbraw/zinc/02/98/16/569029816.db2.gz QZCHTGIBWSQTFR-QHCPKHFHSA-N 1 1 418.915 5.279 40 0 HKABMO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100430 569029856 /nfs/dbraw/zinc/02/98/56/569029856.db2.gz WSVHWELGLWQAAV-HSZRJFAPSA-N 1 1 418.915 5.279 40 0 HKABMO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100431 569029874 /nfs/dbraw/zinc/02/98/74/569029874.db2.gz WSVHWELGLWQAAV-QHCPKHFHSA-N 1 1 418.915 5.279 40 0 HKABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)o1 ZINC000585109720 569029823 /nfs/dbraw/zinc/02/98/23/569029823.db2.gz LKMMSCCEJCIKFO-KYPHJKQUSA-N 1 1 414.549 5.412 40 0 HKABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000585262227 569030043 /nfs/dbraw/zinc/03/00/43/569030043.db2.gz KKDDRZSHFSMTBH-RPLLCQBOSA-N 1 1 413.565 5.190 40 0 HKABMO CCn1c(C[NH+]2CCC(c3cccc(Nc4nccs4)n3)CC2)nc2ccccc21 ZINC000585262662 559111262 /nfs/dbraw/zinc/11/12/62/559111262.db2.gz PREYQBHFKALJNU-UHFFFAOYSA-N 1 1 418.570 5.031 40 0 HKABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O ZINC000585263278 569030013 /nfs/dbraw/zinc/03/00/13/569030013.db2.gz UNGSXMLPRAFONJ-DNRSQYFGSA-N 1 1 421.512 5.411 40 0 HKABMO O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000585263544 569030040 /nfs/dbraw/zinc/03/00/40/569030040.db2.gz CGZGOEINFCFGKK-JCYYIGJDSA-N 1 1 414.593 5.151 40 0 HKABMO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000585263544 569030041 /nfs/dbraw/zinc/03/00/41/569030041.db2.gz CGZGOEINFCFGKK-JCYYIGJDSA-N 1 1 414.593 5.151 40 0 HKABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000585270972 569030242 /nfs/dbraw/zinc/03/02/42/569030242.db2.gz DBJIDIHZRCBUDW-DEOSSOPVSA-N 1 1 401.978 5.568 40 0 HKABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000585270974 569030261 /nfs/dbraw/zinc/03/02/61/569030261.db2.gz DBJIDIHZRCBUDW-XMMPIXPASA-N 1 1 401.978 5.568 40 0 HKABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271153 569030201 /nfs/dbraw/zinc/03/02/01/569030201.db2.gz SCFNIKPWFNSFDL-JOCHJYFZSA-N 1 1 419.352 5.271 40 0 HKABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271154 569030194 /nfs/dbraw/zinc/03/01/94/569030194.db2.gz SCFNIKPWFNSFDL-QFIPXVFZSA-N 1 1 419.352 5.271 40 0 HKABMO