smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@](C)(O)CC ZINC000160506988 367011965 /nfs/dbraw/zinc/01/19/65/367011965.db2.gz URPVBLMAJHOZIF-MRXNPFEDSA-N 1 0 294.395 2.117 10 70 CEIERO CCC[C@@H](C(=O)NCCCN(C)c1ccccc1)[NH+](C)C ZINC000161297623 367075359 /nfs/dbraw/zinc/07/53/59/367075359.db2.gz AMTZAUJTTRGLBF-INIZCTEOSA-N 1 0 291.439 2.359 10 70 CEIERO CCC[C@H](C(=O)NCCc1cc(C)ccc1OC)[NH+](C)C ZINC000161288610 367076150 /nfs/dbraw/zinc/07/61/50/367076150.db2.gz DKGYILCULHTACS-OAHLLOKOSA-N 1 0 292.423 2.393 10 70 CEIERO CCC[C@@H](C(=O)N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC000161478093 367089062 /nfs/dbraw/zinc/08/90/62/367089062.db2.gz GFZILDCLZWLHPX-HNNXBMFYSA-N 1 0 278.371 2.441 10 70 CEIERO CC(C)OCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160599699 519762585 /nfs/dbraw/zinc/76/25/85/519762585.db2.gz MWQUROVMKGXWNC-CABCVRRESA-N 1 0 255.402 2.429 10 70 CEIERO CCOC(=O)CCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160946809 520635487 /nfs/dbraw/zinc/63/54/87/520635487.db2.gz ULTGLICQFBWZFM-GDBMZVCRSA-N 1 0 283.412 2.347 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000161453879 523490327 /nfs/dbraw/zinc/49/03/27/523490327.db2.gz QGWSJKNYMNEMQG-HOTGVXAUSA-N 1 0 285.428 2.198 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000161075465 523493890 /nfs/dbraw/zinc/49/38/90/523493890.db2.gz OQXLTHMAHHHLQI-INIZCTEOSA-N 1 0 288.395 2.070 10 70 CEIERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000161329599 523604692 /nfs/dbraw/zinc/60/46/92/523604692.db2.gz FWRTVKGLTGLPDS-KBPBESRZSA-N 1 0 278.400 2.047 10 70 CEIERO CCC[C@H](C(=O)N(C)CCOc1ccc(F)cc1)[NH+](C)C ZINC000161331946 367078447 /nfs/dbraw/zinc/07/84/47/367078447.db2.gz XCKKDXPSEQABGS-OAHLLOKOSA-N 1 0 296.386 2.393 10 70 CEIERO Cc1cccc2c(N3CCS(=O)(=O)[C@@H](C)C3)cc[nH+]c12 ZINC000160725929 367030267 /nfs/dbraw/zinc/03/02/67/367030267.db2.gz YHXVSJCVQUMYCG-LBPRGKRZSA-N 1 0 290.388 2.167 10 70 CEIERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160744498 367031539 /nfs/dbraw/zinc/03/15/39/367031539.db2.gz CTYFEQZZGDHLCZ-SQWLQELKSA-N 1 0 284.444 2.164 10 70 CEIERO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160629536 395061856 /nfs/dbraw/zinc/06/18/56/395061856.db2.gz STCMRKQKORCGNP-IIAWOOMASA-N 1 0 283.412 2.345 10 70 CEIERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccncc1Br ZINC000159925973 162319844 /nfs/dbraw/zinc/31/98/44/162319844.db2.gz QOEMLMFSDGMJGY-RKDXNWHRSA-N 1 0 270.174 2.018 10 70 CEIERO CC[N@@H+]1CCC[C@@H](Nc2nnc(C(F)(F)F)s2)C1 ZINC000160162589 270238392 /nfs/dbraw/zinc/23/83/92/270238392.db2.gz YLRNFGHUXHHWON-SSDOTTSWSA-N 1 0 280.319 2.453 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccc(C)c(F)c1)[NH+](C)C ZINC000161345562 297443863 /nfs/dbraw/zinc/44/38/63/297443863.db2.gz CDIWLGOMZWOLSO-AWEZNQCLSA-N 1 0 266.360 2.481 10 70 CEIERO COC(=O)c1coc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160628861 534315695 /nfs/dbraw/zinc/31/56/95/534315695.db2.gz YGAGCKAVEJQWTQ-CZUORRHYSA-N 1 0 293.363 2.193 10 70 CEIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC1CCOCC1 ZINC000159735964 366945193 /nfs/dbraw/zinc/94/51/93/366945193.db2.gz AIAWKLBHOLYNEI-OAHLLOKOSA-N 1 0 299.459 2.031 10 70 CEIERO CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000159486690 366917769 /nfs/dbraw/zinc/91/77/69/366917769.db2.gz XFGOFAJMMDVCHQ-LSDHHAIUSA-N 1 0 274.408 2.499 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CCN(C)c1ccccc1 ZINC000161017222 367049790 /nfs/dbraw/zinc/04/97/90/367049790.db2.gz YTWYBMTZDMYTNY-HNNXBMFYSA-N 1 0 250.386 2.216 10 70 CEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000161262934 367073502 /nfs/dbraw/zinc/07/35/02/367073502.db2.gz GMILJRIAETZUMQ-CQSZACIVSA-N 1 0 271.368 2.073 10 70 CEIERO CN(CC(C)(C)C[NH3+])c1ccncc1Br ZINC000159916416 162320666 /nfs/dbraw/zinc/32/06/66/162320666.db2.gz CQTXQSOZUCGESD-UHFFFAOYSA-N 1 0 272.190 2.265 10 70 CEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000161313679 523604782 /nfs/dbraw/zinc/60/47/82/523604782.db2.gz GNBCEZIDULSRAL-ZDUSSCGKSA-N 1 0 289.383 2.282 10 70 CEIERO C[C@@H]1COC[C@H](C)N1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000160519598 344459643 /nfs/dbraw/zinc/45/96/43/344459643.db2.gz GLHBDPUXPCHUPX-GUTXKFCHSA-N 1 0 276.380 2.102 10 70 CEIERO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160553707 188480012 /nfs/dbraw/zinc/48/00/12/188480012.db2.gz ZOKOGDDEBUTXTM-ULQDDVLXSA-N 1 0 277.408 2.385 10 70 CEIERO COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160299078 366991914 /nfs/dbraw/zinc/99/19/14/366991914.db2.gz YZGKGUKWOSUJHV-TZMCWYRMSA-N 1 0 276.380 2.139 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccnc1 ZINC000160818402 367034916 /nfs/dbraw/zinc/03/49/16/367034916.db2.gz OTVZCDHTHLSGKY-CQSZACIVSA-N 1 0 276.384 2.324 10 70 CEIERO CCC[C@H](C(=O)NCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161185696 367065467 /nfs/dbraw/zinc/06/54/67/367065467.db2.gz ZZTNRFANWDIGSA-CYBMUJFWSA-N 1 0 294.395 2.050 10 70 CEIERO CCC[C@H](C(=O)NCc1cccc(F)c1)[NH+](C)C ZINC000161476667 367089511 /nfs/dbraw/zinc/08/95/11/367089511.db2.gz NNIZHMSUCOSJMJ-CYBMUJFWSA-N 1 0 252.333 2.172 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000161480068 367090266 /nfs/dbraw/zinc/09/02/66/367090266.db2.gz LTJQLROXFDLCSR-GOEBONIOSA-N 1 0 296.455 2.286 10 70 CEIERO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000217760561 153295536 /nfs/dbraw/zinc/29/55/36/153295536.db2.gz JSQMHZHQBTUZDZ-IJLUTSLNSA-N 1 0 280.334 2.028 10 70 CEIERO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@](C)(O)CC ZINC000160890383 367040455 /nfs/dbraw/zinc/04/04/55/367040455.db2.gz XWTZBBZWHLVKHN-QGZVFWFLSA-N 1 0 292.423 2.371 10 70 CEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3ccccn3c2)[C@@H](C)C1 ZINC000161316864 367076845 /nfs/dbraw/zinc/07/68/45/367076845.db2.gz RLGYMIJNHVDNRM-BBRMVZONSA-N 1 0 285.391 2.398 10 70 CEIERO CCC[C@H](C(=O)NCCc1cccc(OCC)c1)[NH+](C)C ZINC000161471304 367089004 /nfs/dbraw/zinc/08/90/04/367089004.db2.gz DXTYPPDLDYZTAT-MRXNPFEDSA-N 1 0 292.423 2.474 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CCN(C)c1ccccc1 ZINC000161017309 395062767 /nfs/dbraw/zinc/06/27/67/395062767.db2.gz YTWYBMTZDMYTNY-OAHLLOKOSA-N 1 0 250.386 2.216 10 70 CEIERO Cn1ncc(NCC[NH2+]C2CCCCCC2)c(Cl)c1=O ZINC000159889503 162318634 /nfs/dbraw/zinc/31/86/34/162318634.db2.gz HAFXWBNIDYWJSE-UHFFFAOYSA-N 1 0 298.818 2.158 10 70 CEIERO [NH3+]C[C@@H]1CCCCN1c1ccncc1Br ZINC000159891803 162318920 /nfs/dbraw/zinc/31/89/20/162318920.db2.gz NFOWKZZFWDVHQM-VIFPVBQESA-N 1 0 270.174 2.162 10 70 CEIERO CC[C@@H]1CN(C(=O)C(C)(CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000159438754 540406944 /nfs/dbraw/zinc/40/69/44/540406944.db2.gz GPAIOPNAKSNBKW-ZIAGYGMSSA-N 1 0 284.444 2.116 10 70 CEIERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(C(F)(F)F)s3)C[C@@H]21 ZINC000160395366 283580534 /nfs/dbraw/zinc/58/05/34/283580534.db2.gz WDLDVECBQJPADS-GJMOJQLCSA-N 1 0 292.330 2.121 10 70 CEIERO COc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)ccc1F ZINC000160312913 366993387 /nfs/dbraw/zinc/99/33/87/366993387.db2.gz DSXLYTVAUXGLIC-AWEZNQCLSA-N 1 0 266.316 2.305 10 70 CEIERO CCc1ncnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1F ZINC000160365772 366999305 /nfs/dbraw/zinc/99/93/05/366999305.db2.gz JGSDUNHDRPVVHA-RYUDHWBXSA-N 1 0 278.375 2.241 10 70 CEIERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000160863544 367040193 /nfs/dbraw/zinc/04/01/93/367040193.db2.gz AKPHQZFCBOXODD-LSDHHAIUSA-N 1 0 292.423 2.250 10 70 CEIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N1CCCCCC1 ZINC000160680636 367026710 /nfs/dbraw/zinc/02/67/10/367026710.db2.gz KFHHINFVFZAGRY-UONOGXRCSA-N 1 0 265.401 2.151 10 70 CEIERO O=C(N1CC[N@@H+]2CCCC[C@H]2C1)N1CCCCCC1 ZINC000160678048 367026842 /nfs/dbraw/zinc/02/68/42/367026842.db2.gz JZWGSIVYWUZFQH-AWEZNQCLSA-N 1 0 265.401 2.153 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000160400254 519722799 /nfs/dbraw/zinc/72/27/99/519722799.db2.gz DMLIEFFYNCBQFD-KFWWJZLASA-N 1 0 264.413 2.269 10 70 CEIERO COc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000160357297 574511369 /nfs/dbraw/zinc/51/13/69/574511369.db2.gz KZACOOGOERRPFI-KOLCDFICSA-N 1 0 266.316 2.148 10 70 CEIERO CC[C@H]1CN(C(=O)C(C)(CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000159438878 539277969 /nfs/dbraw/zinc/27/79/69/539277969.db2.gz GPAIOPNAKSNBKW-KGLIPLIRSA-N 1 0 284.444 2.116 10 70 CEIERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000160865768 367040108 /nfs/dbraw/zinc/04/01/08/367040108.db2.gz WGLHNBVYTKMNDZ-CVEARBPZSA-N 1 0 290.407 2.019 10 70 CEIERO CCC[C@@H](C(=O)Nc1cccc(-c2nnco2)c1)[NH+](C)C ZINC000161494025 367090674 /nfs/dbraw/zinc/09/06/74/367090674.db2.gz KHKFIUCOULLYJV-ZDUSSCGKSA-N 1 0 288.351 2.405 10 70 CEIERO CCCC(O)(CCC)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159706942 162311662 /nfs/dbraw/zinc/31/16/62/162311662.db2.gz XUZADLJRUMKXHK-OAHLLOKOSA-N 1 0 296.455 2.405 10 70 CEIERO CC[C@@H]1COCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000159713501 162313445 /nfs/dbraw/zinc/31/34/45/162313445.db2.gz HLAVVQPDZDFFHR-MRXNPFEDSA-N 1 0 280.387 2.368 10 70 CEIERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccncc1Br ZINC000159911222 162320029 /nfs/dbraw/zinc/32/00/29/162320029.db2.gz QHGSPJKACRFGNP-WCBMZHEXSA-N 1 0 270.174 2.383 10 70 CEIERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000159603324 281383009 /nfs/dbraw/zinc/38/30/09/281383009.db2.gz PLHRMBXMANEEMG-QWHCGFSZSA-N 1 0 256.353 2.252 10 70 CEIERO CCCCOC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160654912 520703332 /nfs/dbraw/zinc/70/33/32/520703332.db2.gz JTUXAWPLRPNWPJ-UHFFFAOYSA-N 1 0 279.384 2.323 10 70 CEIERO CN(CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)Cc1ccc(F)cc1 ZINC000161031809 522812946 /nfs/dbraw/zinc/81/29/46/522812946.db2.gz MQDDBDYPOOHJJC-RDJZCZTQSA-N 1 0 294.414 2.350 10 70 CEIERO CCn1cc(C2CC[NH+](Cc3cnn(C)c3)CC2)cn1 ZINC000160466305 523355849 /nfs/dbraw/zinc/35/58/49/523355849.db2.gz RAUMHXDWWIBPFC-UHFFFAOYSA-N 1 0 273.384 2.016 10 70 CEIERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000160120859 366975255 /nfs/dbraw/zinc/97/52/55/366975255.db2.gz WZJHENPAEOHIBE-DOMZBBRYSA-N 1 0 276.380 2.046 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCOCC1 ZINC000160594133 367021213 /nfs/dbraw/zinc/02/12/13/367021213.db2.gz DLEVLCCXCIOYMH-OAHLLOKOSA-N 1 0 282.428 2.040 10 70 CEIERO CO[C@H]1CCN(C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000161193560 367066463 /nfs/dbraw/zinc/06/64/63/367066463.db2.gz OWOYTALPZMJLQO-TWZSPHTKSA-N 1 0 260.381 2.138 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccccc1F)[NH+](C)C ZINC000161211105 367068566 /nfs/dbraw/zinc/06/85/66/367068566.db2.gz VTICWZWFIOKOMM-ZDUSSCGKSA-N 1 0 252.333 2.172 10 70 CEIERO Cc1c2c(sc1NC(=O)[C@@H]1CC[NH2+]C1)CCCC2 ZINC000160988831 291602555 /nfs/dbraw/zinc/60/25/55/291602555.db2.gz CGONCBBVDNKIDJ-SNVBAGLBSA-N 1 0 264.394 2.483 10 70 CEIERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160744772 276040954 /nfs/dbraw/zinc/04/09/54/276040954.db2.gz CTYFEQZZGDHLCZ-OFQRWUPVSA-N 1 0 284.444 2.164 10 70 CEIERO CCC[C@H](C(=O)N(C)Cc1cccc(N(C)C)c1)[NH+](C)C ZINC000160612136 276281331 /nfs/dbraw/zinc/28/13/31/276281331.db2.gz BHGPGJSVPFJGQY-MRXNPFEDSA-N 1 0 291.439 2.441 10 70 CEIERO CCC[C@H](C(=O)NCCc1ccccc1OC)[NH+](C)C ZINC000161252308 297442703 /nfs/dbraw/zinc/44/27/03/297442703.db2.gz DBYSWOZMHASDSN-CQSZACIVSA-N 1 0 278.396 2.084 10 70 CEIERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000161329493 523601839 /nfs/dbraw/zinc/60/18/39/523601839.db2.gz FWRTVKGLTGLPDS-KGLIPLIRSA-N 1 0 278.400 2.047 10 70 CEIERO CCCC(=O)N[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160817009 527953719 /nfs/dbraw/zinc/95/37/19/527953719.db2.gz FSGZPZYTTPXRQQ-INIZCTEOSA-N 1 0 295.471 2.243 10 70 CEIERO CCN(C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1)CC(F)(F)F ZINC000161397626 528752919 /nfs/dbraw/zinc/75/29/19/528752919.db2.gz IQHHFANJQQYFGR-CHWSQXEVSA-N 1 0 296.377 2.354 10 70 CEIERO COc1cc(NC(=O)C2CCC([NH3+])CC2)ccc1F ZINC000160341115 574511290 /nfs/dbraw/zinc/51/12/90/574511290.db2.gz VRJWKEVHCWBQCJ-UHFFFAOYSA-N 1 0 266.316 2.290 10 70 CEIERO C[NH+](C)C[C@](C)(O)CNc1ccnc2c(F)cc(F)cc12 ZINC000160083918 188453965 /nfs/dbraw/zinc/45/39/65/188453965.db2.gz YUYYSVGOQOBGEB-OAHLLOKOSA-N 1 0 295.333 2.238 10 70 CEIERO C[NH+](C)C[C@@](C)(O)CNc1ccnc2c(F)cc(F)cc12 ZINC000160084027 188454364 /nfs/dbraw/zinc/45/43/64/188454364.db2.gz YUYYSVGOQOBGEB-HNNXBMFYSA-N 1 0 295.333 2.238 10 70 CEIERO C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1O ZINC000159439368 366913513 /nfs/dbraw/zinc/91/35/13/366913513.db2.gz GQGXIPRZHNEQHE-WBMJQRKESA-N 1 0 256.349 2.438 10 70 CEIERO Cc1noc([C@@H]2COCCN2CCC(C)(C)C)n1 ZINC000161198819 367067412 /nfs/dbraw/zinc/06/74/12/367067412.db2.gz CMIFUWDJOCEUPM-NSHDSACASA-N 1 0 253.346 2.188 10 70 CEIERO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1CCCO1 ZINC000160743337 367031462 /nfs/dbraw/zinc/03/14/62/367031462.db2.gz POJXQCYPGBHFQL-ZFWWWQNUSA-N 1 0 297.443 2.070 10 70 CEIERO CCCCCNC(=O)C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000160556778 282671928 /nfs/dbraw/zinc/67/19/28/282671928.db2.gz NZVKJGGJGZRGQZ-INIZCTEOSA-N 1 0 284.444 2.166 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)[NH+](C)C ZINC000161129211 367059668 /nfs/dbraw/zinc/05/96/68/367059668.db2.gz GEBGLJJBZWNPEP-AWEZNQCLSA-N 1 0 277.368 2.314 10 70 CEIERO CCC[C@H](C(=O)NCCc1cccc(F)c1)[NH+](C)C ZINC000161289818 367076147 /nfs/dbraw/zinc/07/61/47/367076147.db2.gz SNBLXRYHSLYWFZ-CQSZACIVSA-N 1 0 266.360 2.215 10 70 CEIERO COc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1F ZINC000160316454 297435242 /nfs/dbraw/zinc/43/52/42/297435242.db2.gz AWOXIFHVNKWJJW-JTQLQIEISA-N 1 0 266.316 2.163 10 70 CEIERO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@](C)(O)CC ZINC000160397384 527930249 /nfs/dbraw/zinc/93/02/49/527930249.db2.gz WYSGPBQXTMSRDT-MRXNPFEDSA-N 1 0 294.395 2.117 10 70 CEIERO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000160448398 344458982 /nfs/dbraw/zinc/45/89/82/344458982.db2.gz BAEXHOKHOFFFCN-CQSZACIVSA-N 1 0 264.369 2.142 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1 ZINC000160574114 367018721 /nfs/dbraw/zinc/01/87/21/367018721.db2.gz VZGKEFMHWUBGCG-OAHLLOKOSA-N 1 0 290.407 2.302 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C1CCOCC1 ZINC000161480197 367090637 /nfs/dbraw/zinc/09/06/37/367090637.db2.gz LTJQLROXFDLCSR-GDBMZVCRSA-N 1 0 296.455 2.286 10 70 CEIERO CCC(CC)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160569023 521528262 /nfs/dbraw/zinc/52/82/62/521528262.db2.gz UVNFQNZDVIHLEF-CQSZACIVSA-N 1 0 267.417 2.302 10 70 CEIERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCO3)C2)n1 ZINC000160911651 524683059 /nfs/dbraw/zinc/68/30/59/524683059.db2.gz UGVCHBKMMBQRIE-CABCVRRESA-N 1 0 275.396 2.303 10 70 CEIERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC1CCCC1 ZINC000161040871 526495281 /nfs/dbraw/zinc/49/52/81/526495281.db2.gz HMZLXQPUWUHTQH-PBHICJAKSA-N 1 0 294.439 2.062 10 70 CEIERO Cn1nccc1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161311872 527598872 /nfs/dbraw/zinc/59/88/72/527598872.db2.gz QEAGGUFYOROVAF-UHFFFAOYSA-N 1 0 290.455 2.476 10 70 CEIERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000159861364 344455963 /nfs/dbraw/zinc/45/59/63/344455963.db2.gz SLRXYEDUQIFFMQ-DOMZBBRYSA-N 1 0 266.360 2.197 10 70 CEIERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(C(F)(F)F)s3)C[C@@H]21 ZINC000160395499 283589040 /nfs/dbraw/zinc/58/90/40/283589040.db2.gz WDLDVECBQJPADS-BIIVOSGPSA-N 1 0 292.330 2.121 10 70 CEIERO CCC[C@H](C(=O)N(C)Cc1ccc(O)c(OC)c1)[NH+](C)C ZINC000159726111 366943543 /nfs/dbraw/zinc/94/35/43/366943543.db2.gz LRRWXUHXOFYBPQ-CYBMUJFWSA-N 1 0 294.395 2.090 10 70 CEIERO CC1(C)CN(c2ccncc2Br)CC[NH2+]1 ZINC000159803737 366950054 /nfs/dbraw/zinc/95/00/54/366950054.db2.gz UIFBTMKXVGIDPQ-UHFFFAOYSA-N 1 0 270.174 2.032 10 70 CEIERO CCc1ncnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1F ZINC000160365907 366999684 /nfs/dbraw/zinc/99/96/84/366999684.db2.gz JGSDUNHDRPVVHA-NWDGAFQWSA-N 1 0 278.375 2.241 10 70 CEIERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000160865897 367039988 /nfs/dbraw/zinc/03/99/88/367039988.db2.gz WGLHNBVYTKMNDZ-HZPDHXFCSA-N 1 0 290.407 2.019 10 70 CEIERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])CC(C)C ZINC000160866171 367040201 /nfs/dbraw/zinc/04/02/01/367040201.db2.gz NCZOIPISIRWWIX-JKSUJKDBSA-N 1 0 292.423 2.250 10 70 CEIERO CO[C@@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000161090651 367056866 /nfs/dbraw/zinc/05/68/66/367056866.db2.gz PZGWWTCVRVJDHE-JHJVBQTASA-N 1 0 270.417 2.023 10 70 CEIERO CC(=O)c1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000161167425 367064497 /nfs/dbraw/zinc/06/44/97/367064497.db2.gz GCWLPEUSCCXNBU-WBMJQRKESA-N 1 0 288.391 2.348 10 70 CEIERO CC(=O)c1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161235703 367069925 /nfs/dbraw/zinc/06/99/25/367069925.db2.gz DYNXPXYMIJWEKV-LRDDRELGSA-N 1 0 288.391 2.348 10 70 CEIERO Brc1cnccc1NC[C@@H]1CCC[NH2+]C1 ZINC000159891385 162318813 /nfs/dbraw/zinc/31/88/13/162318813.db2.gz FFWKGCYOPAAJQD-SECBINFHSA-N 1 0 270.174 2.256 10 70 CEIERO [NH3+]C1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000160260459 295202387 /nfs/dbraw/zinc/20/23/87/295202387.db2.gz MGFJJGXSPVKOGH-BETUJISGSA-N 1 0 250.386 2.297 10 70 CEIERO CCC(CC)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000160550447 521529980 /nfs/dbraw/zinc/52/99/80/521529980.db2.gz MYNYLEBGZFBEIV-JSGCOSHPSA-N 1 0 267.417 2.301 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000160625526 523660581 /nfs/dbraw/zinc/66/05/81/523660581.db2.gz CKVVUKHRIKMCFS-QGZVFWFLSA-N 1 0 296.455 2.118 10 70 CEIERO Cc1cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(C)c1O ZINC000217749564 539905634 /nfs/dbraw/zinc/90/56/34/539905634.db2.gz WWDXXOAGLXFMIQ-ZFWWWQNUSA-N 1 0 262.397 2.391 10 70 CEIERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000160875556 367040147 /nfs/dbraw/zinc/04/01/47/367040147.db2.gz ZHAJLSZUUJEVGX-DJIMGWMZSA-N 1 0 293.382 2.486 10 70 CEIERO CCC[C@@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C ZINC000161133795 367060674 /nfs/dbraw/zinc/06/06/74/367060674.db2.gz AXGFRAVVCHJGKG-HNNXBMFYSA-N 1 0 260.381 2.302 10 70 CEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2cncc(F)c2)C1 ZINC000161212425 367068982 /nfs/dbraw/zinc/06/89/82/367068982.db2.gz LHNYDYCBSOXYCB-WNTXTPNSSA-N 1 0 291.370 2.079 10 70 CEIERO CCC[C@H](C(=O)NCc1ccccc1COC)[NH+](C)C ZINC000161485318 367090795 /nfs/dbraw/zinc/09/07/95/367090795.db2.gz RPOLIRXZHSZPPN-OAHLLOKOSA-N 1 0 278.396 2.180 10 70 CEIERO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)cc2c1OCO2 ZINC000159914095 162320060 /nfs/dbraw/zinc/32/00/60/162320060.db2.gz RPLWWXUUJNMTJE-QWHCGFSZSA-N 1 0 293.363 2.207 10 70 CEIERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000159603195 281356578 /nfs/dbraw/zinc/35/65/78/281356578.db2.gz PLHRMBXMANEEMG-CHWSQXEVSA-N 1 0 256.353 2.252 10 70 CEIERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956909 312635589 /nfs/dbraw/zinc/63/55/89/312635589.db2.gz BAEGIQFUYSUHLQ-ZCFIWIBFSA-N 1 0 275.121 2.135 10 70 CEIERO CCC[C@H](NC(=O)C[N@H+](CC)C1CC1)C(=O)OC(C)(C)C ZINC000161487077 521125465 /nfs/dbraw/zinc/12/54/65/521125465.db2.gz MAUOOKHDMIUAKH-ZDUSSCGKSA-N 1 0 298.427 2.097 10 70 CEIERO c1csc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161354812 526585296 /nfs/dbraw/zinc/58/52/96/526585296.db2.gz GLRYSJQVCPVXAN-AWEZNQCLSA-N 1 0 295.452 2.392 10 70 CEIERO CO[C@@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000161090525 188508219 /nfs/dbraw/zinc/50/82/19/188508219.db2.gz PZGWWTCVRVJDHE-YNEHKIRRSA-N 1 0 270.417 2.023 10 70 CEIERO CCC[C@H](C(=O)NCCc1ccccc1F)[NH+](C)C ZINC000161260186 188518191 /nfs/dbraw/zinc/51/81/91/188518191.db2.gz URSGIFCFAYIXFL-CQSZACIVSA-N 1 0 266.360 2.215 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)[NH+](C)C ZINC000161129318 367059408 /nfs/dbraw/zinc/05/94/08/367059408.db2.gz GEBGLJJBZWNPEP-CQSZACIVSA-N 1 0 277.368 2.314 10 70 CEIERO CCC[C@@H](C(=O)NCCc1ccccc1F)[NH+](C)C ZINC000161260036 367073321 /nfs/dbraw/zinc/07/33/21/367073321.db2.gz URSGIFCFAYIXFL-AWEZNQCLSA-N 1 0 266.360 2.215 10 70 CEIERO C[NH2+][C@@H]1CCCN(c2ccncc2Br)C1 ZINC000159894200 162318781 /nfs/dbraw/zinc/31/87/81/162318781.db2.gz KRAIAQAEAGVJIQ-SECBINFHSA-N 1 0 270.174 2.032 10 70 CEIERO C[C@H](CCC[NH3+])Nc1ccncc1Br ZINC000160030248 162324129 /nfs/dbraw/zinc/32/41/29/162324129.db2.gz XYANSWKCHHGZIR-MRVPVSSYSA-N 1 0 258.163 2.383 10 70 CEIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N1CCC(C)CC1 ZINC000160669669 279297729 /nfs/dbraw/zinc/29/77/29/279297729.db2.gz OZAGTVZNOGMPOZ-CQSZACIVSA-N 1 0 267.417 2.254 10 70 CEIERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000159861200 344456287 /nfs/dbraw/zinc/45/62/87/344456287.db2.gz SLRXYEDUQIFFMQ-IUODEOHRSA-N 1 0 266.360 2.197 10 70 CEIERO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc2c1OCO2 ZINC000159913966 188447431 /nfs/dbraw/zinc/44/74/31/188447431.db2.gz RPLWWXUUJNMTJE-CHWSQXEVSA-N 1 0 293.363 2.207 10 70 CEIERO Brc1cnccc1NCC[NH2+]C1CC1 ZINC000159895386 366958042 /nfs/dbraw/zinc/95/80/42/366958042.db2.gz JANHLAWPNGVTBY-UHFFFAOYSA-N 1 0 256.147 2.008 10 70 CEIERO Cc1cccc(OCCCCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160209292 366982945 /nfs/dbraw/zinc/98/29/45/366982945.db2.gz WSKJOPQOCVAASK-HNNXBMFYSA-N 1 0 290.407 2.494 10 70 CEIERO COC(=O)c1ccc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc1C ZINC000160466340 367007786 /nfs/dbraw/zinc/00/77/86/367007786.db2.gz VQZVTBKBAPIMPD-FZMZJTMJSA-N 1 0 291.395 2.317 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000161434242 367086295 /nfs/dbraw/zinc/08/62/95/367086295.db2.gz VJJVFUCZDUCFNS-RDTXWAMCSA-N 1 0 269.410 2.017 10 70 CEIERO CCC[C@H](C(=O)NCc1cccc(OC)c1OC)[NH+](C)C ZINC000161477682 367089329 /nfs/dbraw/zinc/08/93/29/367089329.db2.gz PARWYKCFYGZXKY-CYBMUJFWSA-N 1 0 294.395 2.050 10 70 CEIERO CCSCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000160065766 162322906 /nfs/dbraw/zinc/32/29/06/162322906.db2.gz QBGLJCVPWXPBDY-UHFFFAOYSA-N 1 0 253.415 2.353 10 70 CEIERO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160944193 276039298 /nfs/dbraw/zinc/03/92/98/276039298.db2.gz YZFWYUMNJCSVHM-IIAWOOMASA-N 1 0 283.412 2.345 10 70 CEIERO CN(CC[N@@H+]1CCC[C@@H]1C(C)(C)O)Cc1ccc(F)cc1 ZINC000160921001 522833043 /nfs/dbraw/zinc/83/30/43/522833043.db2.gz VGCFETOQIXHWCO-MRXNPFEDSA-N 1 0 294.414 2.493 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000160597492 523661487 /nfs/dbraw/zinc/66/14/87/523661487.db2.gz VCLCAHHFPQSUIO-WMLDXEAASA-N 1 0 296.455 2.118 10 70 CEIERO CCC[C@@H](C(=O)NCc1cccc(OC)c1)[NH+](C)C ZINC000161205857 188514347 /nfs/dbraw/zinc/51/43/47/188514347.db2.gz NRCUEDNVMAPRNC-AWEZNQCLSA-N 1 0 264.369 2.042 10 70 CEIERO Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(C[NH+](C)C)c1 ZINC000160103105 366973503 /nfs/dbraw/zinc/97/35/03/366973503.db2.gz UXMIVZDVPVGHEW-HNNXBMFYSA-N 1 0 278.396 2.402 10 70 CEIERO Cc1noc([C@H]2COCCN2CCC(C)(C)C)n1 ZINC000161198951 367067373 /nfs/dbraw/zinc/06/73/73/367067373.db2.gz CMIFUWDJOCEUPM-LLVKDONJSA-N 1 0 253.346 2.188 10 70 CEIERO CCC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)[NH+](C)C ZINC000161210721 367068630 /nfs/dbraw/zinc/06/86/30/367068630.db2.gz LMLJPTHAZDAXOH-ZDUSSCGKSA-N 1 0 278.352 2.142 10 70 CEIERO CCC[C@@H](C(=O)NCCc1cccc(F)c1)[NH+](C)C ZINC000161289701 367075758 /nfs/dbraw/zinc/07/57/58/367075758.db2.gz SNBLXRYHSLYWFZ-AWEZNQCLSA-N 1 0 266.360 2.215 10 70 CEIERO CCC[C@@H](C(=O)N(C)CCOc1ccc(F)cc1)[NH+](C)C ZINC000161331833 367078048 /nfs/dbraw/zinc/07/80/48/367078048.db2.gz XCKKDXPSEQABGS-HNNXBMFYSA-N 1 0 296.386 2.393 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(N2CCCC2)nc1)[NH+](C)C ZINC000161383904 367083012 /nfs/dbraw/zinc/08/30/12/367083012.db2.gz QBDRCKQMIACYER-CQSZACIVSA-N 1 0 290.411 2.351 10 70 CEIERO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc2c1OCO2 ZINC000159913841 162318303 /nfs/dbraw/zinc/31/83/03/162318303.db2.gz RPLWWXUUJNMTJE-STQMWFEESA-N 1 0 293.363 2.207 10 70 CEIERO CCC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)cc1)[NH+](C)C ZINC000159834648 276038719 /nfs/dbraw/zinc/03/87/19/276038719.db2.gz WJIAPQHUSNNWAI-SWLSCSKDSA-N 1 0 278.396 2.170 10 70 CEIERO C[C@H](O)C[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000160999659 290151385 /nfs/dbraw/zinc/15/13/85/290151385.db2.gz FNGFNKPZQQXLSA-WMLDXEAASA-N 1 0 294.414 2.493 10 70 CEIERO CN(CC[N@@H+]1CCC[C@H]1C(C)(C)O)Cc1ccc(F)cc1 ZINC000160920882 522833347 /nfs/dbraw/zinc/83/33/47/522833347.db2.gz VGCFETOQIXHWCO-INIZCTEOSA-N 1 0 294.414 2.493 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000160625391 523491261 /nfs/dbraw/zinc/49/12/61/523491261.db2.gz CKVVUKHRIKMCFS-KRWDZBQOSA-N 1 0 296.455 2.118 10 70 CEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000161313553 523601521 /nfs/dbraw/zinc/60/15/21/523601521.db2.gz GNBCEZIDULSRAL-CYBMUJFWSA-N 1 0 289.383 2.282 10 70 CEIERO Cc1nn(C)c(C)c1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000160526134 527631261 /nfs/dbraw/zinc/63/12/61/527631261.db2.gz UPSBTTRSPCGZCG-UHFFFAOYSA-N 1 0 287.411 2.150 10 70 CEIERO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[C@@H](O)C3)c(C)n2n1 ZINC000217622680 539226843 /nfs/dbraw/zinc/22/68/43/539226843.db2.gz RSYUSMFWWSSQSA-IACUBPJLSA-N 1 0 288.395 2.300 10 70 CEIERO CCC[C@H](C(=O)NCCc1ccc(C)cc1)[NH+](C)C ZINC000160210060 188460386 /nfs/dbraw/zinc/46/03/86/188460386.db2.gz AKIZWELSQGRFGB-OAHLLOKOSA-N 1 0 262.397 2.384 10 70 CEIERO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000161176923 188512655 /nfs/dbraw/zinc/51/26/55/188512655.db2.gz RSGBCBGVOFVGLI-CYBMUJFWSA-N 1 0 298.814 2.255 10 70 CEIERO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(F)cc1 ZINC000161123024 188509797 /nfs/dbraw/zinc/50/97/97/188509797.db2.gz OAMBJYKWPYDXDP-DYEKYZERSA-N 1 0 294.370 2.227 10 70 CEIERO COc1cccc([C@H](CNC(=O)OC(C)C)[NH+](C)C)c1 ZINC000160318081 366994930 /nfs/dbraw/zinc/99/49/30/366994930.db2.gz JCEPUDPQIMCMSI-AWEZNQCLSA-N 1 0 280.368 2.433 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)[NH+](C)C ZINC000160616528 367022290 /nfs/dbraw/zinc/02/22/90/367022290.db2.gz TVMQRZQLJZJVDJ-HNNXBMFYSA-N 1 0 292.427 2.345 10 70 CEIERO C[C@@H]1[C@H](C)OCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160283612 279106960 /nfs/dbraw/zinc/10/69/60/279106960.db2.gz JCBGKOJBOVYNHJ-KGLIPLIRSA-N 1 0 280.387 2.367 10 70 CEIERO COc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1F ZINC000160316574 297435379 /nfs/dbraw/zinc/43/53/79/297435379.db2.gz AWOXIFHVNKWJJW-SNVBAGLBSA-N 1 0 266.316 2.163 10 70 CEIERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc2ccccn12 ZINC000160933676 521653255 /nfs/dbraw/zinc/65/32/55/521653255.db2.gz NOKBTUWGTBDDQZ-AWEZNQCLSA-N 1 0 272.396 2.250 10 70 CEIERO Cc1noc(Cl)c1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161200527 526633310 /nfs/dbraw/zinc/63/33/10/526633310.db2.gz RYMDHMLAEVYGND-JOYOIKCWSA-N 1 0 299.802 2.024 10 70 CEIERO CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000159486402 366918529 /nfs/dbraw/zinc/91/85/29/366918529.db2.gz XFGOFAJMMDVCHQ-GJZGRUSLSA-N 1 0 274.408 2.499 10 70 CEIERO CSc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000161373035 367081332 /nfs/dbraw/zinc/08/13/32/367081332.db2.gz LZCXWSVJMJMMPP-NSHDSACASA-N 1 0 282.384 2.324 10 70 CEIERO CCC[C@H](C(=O)NCCCN(C)c1ccccc1)[NH+](C)C ZINC000161297708 367075795 /nfs/dbraw/zinc/07/57/95/367075795.db2.gz AMTZAUJTTRGLBF-MRXNPFEDSA-N 1 0 291.439 2.359 10 70 CEIERO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1CCCO1 ZINC000160743564 367031516 /nfs/dbraw/zinc/03/15/16/367031516.db2.gz POJXQCYPGBHFQL-DZGCQCFKSA-N 1 0 297.443 2.070 10 70 CEIERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000217760066 280209354 /nfs/dbraw/zinc/20/93/54/280209354.db2.gz WXNZQPJUOCYCAP-FPCVCCKLSA-N 1 0 268.445 2.367 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000160597585 523490655 /nfs/dbraw/zinc/49/06/55/523490655.db2.gz VCLCAHHFPQSUIO-PBHICJAKSA-N 1 0 296.455 2.118 10 70 CEIERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000160999558 525824130 /nfs/dbraw/zinc/82/41/30/525824130.db2.gz FNGFNKPZQQXLSA-PBHICJAKSA-N 1 0 294.414 2.493 10 70 CEIERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160995897 188501976 /nfs/dbraw/zinc/50/19/76/188501976.db2.gz PYDWHMQCOKOFMQ-MXWKQRLJSA-N 1 0 278.318 2.081 10 70 CEIERO CCC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000161142024 367061184 /nfs/dbraw/zinc/06/11/84/367061184.db2.gz YVZVVAJAXLHOKO-INIZCTEOSA-N 1 0 289.423 2.066 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161185573 367065635 /nfs/dbraw/zinc/06/56/35/367065635.db2.gz ZZTNRFANWDIGSA-ZDUSSCGKSA-N 1 0 294.395 2.050 10 70 CEIERO Cn1cc([C@H]2CCCN2CCC[NH+]2CCCCC2)cn1 ZINC000161331103 527318468 /nfs/dbraw/zinc/31/84/68/527318468.db2.gz LINUXKPEUQTYOV-MRXNPFEDSA-N 1 0 276.428 2.433 10 70 CEIERO CCCCN(C)C(=O)C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000160629296 528325528 /nfs/dbraw/zinc/32/55/28/528325528.db2.gz BLEJXVMHLKDOPV-INIZCTEOSA-N 1 0 284.444 2.118 10 70 CEIERO Cc1cccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000160835689 188493722 /nfs/dbraw/zinc/49/37/22/188493722.db2.gz HTXYMGBRFISIBE-KBPBESRZSA-N 1 0 260.381 2.480 10 70 CEIERO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000160835569 367037325 /nfs/dbraw/zinc/03/73/25/367037325.db2.gz HTXYMGBRFISIBE-KGLIPLIRSA-N 1 0 260.381 2.480 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161174769 367063615 /nfs/dbraw/zinc/06/36/15/367063615.db2.gz AAHXQGLEZFCBCU-GFCCVEGCSA-N 1 0 280.368 2.373 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000160689297 367028922 /nfs/dbraw/zinc/02/89/22/367028922.db2.gz WIWALZUJDBIXAG-HNNXBMFYSA-N 1 0 296.436 2.103 10 70 CEIERO C[NH2+][C@H]1CCCN(c2ccncc2Br)C1 ZINC000159894344 162319368 /nfs/dbraw/zinc/31/93/68/162319368.db2.gz KRAIAQAEAGVJIQ-VIFPVBQESA-N 1 0 270.174 2.032 10 70 CEIERO CCC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)cc1)[NH+](C)C ZINC000159834525 276269040 /nfs/dbraw/zinc/26/90/40/276269040.db2.gz WJIAPQHUSNNWAI-WFASDCNBSA-N 1 0 278.396 2.170 10 70 CEIERO CCn1cc(C2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000160458686 523355757 /nfs/dbraw/zinc/35/57/57/523355757.db2.gz PZUDQYWAIGLZPD-HNNXBMFYSA-N 1 0 263.385 2.261 10 70 CEIERO COc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000160357554 574511354 /nfs/dbraw/zinc/51/13/54/574511354.db2.gz KZACOOGOERRPFI-ONGXEEELSA-N 1 0 266.316 2.148 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160518045 367012362 /nfs/dbraw/zinc/01/23/62/367012362.db2.gz HATZWOMYIPIWAZ-INIZCTEOSA-N 1 0 278.396 2.335 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)[NH+](C)C ZINC000161151931 367062756 /nfs/dbraw/zinc/06/27/56/367062756.db2.gz ANLILSWHAVWIPK-ZDUSSCGKSA-N 1 0 278.352 2.142 10 70 CEIERO CCC[C@@H](C(=O)NCCCc1ccccc1)[NH+](C)C ZINC000161185036 367065063 /nfs/dbraw/zinc/06/50/63/367065063.db2.gz LOPKZAVUTCOJKM-HNNXBMFYSA-N 1 0 262.397 2.466 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(N(C)C)cc1)[NH+](C)C ZINC000161424190 367085027 /nfs/dbraw/zinc/08/50/27/367085027.db2.gz VYQROTBNWKGPGP-CQSZACIVSA-N 1 0 263.385 2.421 10 70 CEIERO OC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159733570 285246156 /nfs/dbraw/zinc/24/61/56/285246156.db2.gz QNSJRDWVNSHOCM-CQSZACIVSA-N 1 0 294.782 2.290 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccc(F)c(C)c1)[NH+](C)C ZINC000161353727 297444133 /nfs/dbraw/zinc/44/41/33/297444133.db2.gz PQBKKOXJFBTRES-AWEZNQCLSA-N 1 0 266.360 2.481 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000160597683 523661111 /nfs/dbraw/zinc/66/11/11/523661111.db2.gz VCLCAHHFPQSUIO-RHSMWYFYSA-N 1 0 296.455 2.118 10 70 CEIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000217669303 539227174 /nfs/dbraw/zinc/22/71/74/539227174.db2.gz JACNPJXMUGDJQY-WCFLWFBJSA-N 1 0 263.337 2.369 10 70 CEIERO COc1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)ccc1F ZINC000160312789 366993338 /nfs/dbraw/zinc/99/33/38/366993338.db2.gz DSXLYTVAUXGLIC-CQSZACIVSA-N 1 0 266.316 2.305 10 70 CEIERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160592407 367021504 /nfs/dbraw/zinc/02/15/04/367021504.db2.gz DJFBXFRDAGJMSP-KWQFWETISA-N 1 0 271.158 2.111 10 70 CEIERO CC1=C(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CCCO1 ZINC000160545007 367015611 /nfs/dbraw/zinc/01/56/11/367015611.db2.gz PSMZMMQHGPRFAK-MRXNPFEDSA-N 1 0 288.391 2.490 10 70 CEIERO CCC[C@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C ZINC000161192567 367066982 /nfs/dbraw/zinc/06/69/82/367066982.db2.gz VNFVUGQCSUIPNU-CQSZACIVSA-N 1 0 266.360 2.215 10 70 CEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Cl)n2)C1 ZINC000161252443 367071410 /nfs/dbraw/zinc/07/14/10/367071410.db2.gz PPIHKPKMXWKBPT-PWSUYJOCSA-N 1 0 281.787 2.194 10 70 CEIERO Cc1cccc2c(N3CCS(=O)(=O)[C@H](C)C3)cc[nH+]c12 ZINC000160725794 367029291 /nfs/dbraw/zinc/02/92/91/367029291.db2.gz YHXVSJCVQUMYCG-GFCCVEGCSA-N 1 0 290.388 2.167 10 70 CEIERO CCOC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000217183643 400306853 /nfs/dbraw/zinc/30/68/53/400306853.db2.gz XEGLLTWHXXUGGI-CVEARBPZSA-N 1 0 293.407 2.236 10 70 CEIERO CCC[C@]1(C)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160934125 276052999 /nfs/dbraw/zinc/05/29/99/276052999.db2.gz XUUJIZOTAOUBEW-DZGCQCFKSA-N 1 0 252.402 2.415 10 70 CEIERO CCC[C@H](C(=O)N[C@H](C)Cc1ccc(O)cc1)[NH+](C)C ZINC000159834912 276282454 /nfs/dbraw/zinc/28/24/54/276282454.db2.gz WJIAPQHUSNNWAI-IUODEOHRSA-N 1 0 278.396 2.170 10 70 CEIERO C[C@H]1OCCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H]1C ZINC000160284004 280055433 /nfs/dbraw/zinc/05/54/33/280055433.db2.gz JCBGKOJBOVYNHJ-UONOGXRCSA-N 1 0 280.387 2.367 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000160597378 523490386 /nfs/dbraw/zinc/49/03/86/523490386.db2.gz VCLCAHHFPQSUIO-YOEHRIQHSA-N 1 0 296.455 2.118 10 70 CEIERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159733420 366942893 /nfs/dbraw/zinc/94/28/93/366942893.db2.gz LNKOEWUJUCDTNI-QWHCGFSZSA-N 1 0 255.406 2.205 10 70 CEIERO OCC[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000159745480 366944390 /nfs/dbraw/zinc/94/43/90/366944390.db2.gz AMOFBSKCRUKTQO-AWEZNQCLSA-N 1 0 294.782 2.290 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161086154 367054802 /nfs/dbraw/zinc/05/48/02/367054802.db2.gz INOZQXFBZIBPOM-ZBFHGGJFSA-N 1 0 294.370 2.024 10 70 CEIERO CC(=O)c1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161235601 367070185 /nfs/dbraw/zinc/07/01/85/367070185.db2.gz DYNXPXYMIJWEKV-WBMJQRKESA-N 1 0 288.391 2.348 10 70 CEIERO CCC[C@@H](C(=O)NCCc1cc(C)ccc1OC)[NH+](C)C ZINC000161288487 367076180 /nfs/dbraw/zinc/07/61/80/367076180.db2.gz DKGYILCULHTACS-HNNXBMFYSA-N 1 0 292.423 2.393 10 70 CEIERO CC(C)Cc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160276813 395060187 /nfs/dbraw/zinc/06/01/87/395060187.db2.gz NPVLLQAWVYAHNR-MRXNPFEDSA-N 1 0 274.408 2.377 10 70 CEIERO [NH3+]CC1CCN(c2ccncc2Br)CC1 ZINC000159795816 162317251 /nfs/dbraw/zinc/31/72/51/162317251.db2.gz FPGKGUIYXBHYMD-UHFFFAOYSA-N 1 0 270.174 2.019 10 70 CEIERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000160220271 274948779 /nfs/dbraw/zinc/94/87/79/274948779.db2.gz NMMSTVASHXGTFY-LBPRGKRZSA-N 1 0 289.766 2.452 10 70 CEIERO CCn1ccnc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000217800787 280209787 /nfs/dbraw/zinc/20/97/87/280209787.db2.gz BGXNKJHWEJGLRA-GFCCVEGCSA-N 1 0 296.415 2.296 10 70 CEIERO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000161414533 523604285 /nfs/dbraw/zinc/60/42/85/523604285.db2.gz CBRJUPWQTPUHES-HNNXBMFYSA-N 1 0 285.395 2.115 10 70 CEIERO c1cncc(O[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000161417730 526547406 /nfs/dbraw/zinc/54/74/06/526547406.db2.gz RQKVKAHBMPENQC-QGZVFWFLSA-N 1 0 289.423 2.411 10 70 CEIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217641960 539227005 /nfs/dbraw/zinc/22/70/05/539227005.db2.gz FERLNJOKDBAGOM-FPMFFAJLSA-N 1 0 297.420 2.044 10 70 CEIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000217654812 539227205 /nfs/dbraw/zinc/22/72/05/539227205.db2.gz JCNOYHOTYCFXIZ-FPMFFAJLSA-N 1 0 277.364 2.412 10 70 CEIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(C2CC2)CC1 ZINC000159643684 366935729 /nfs/dbraw/zinc/93/57/29/366935729.db2.gz JESAAUMWCUFKGK-AWEZNQCLSA-N 1 0 281.444 2.452 10 70 CEIERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSCC)C1 ZINC000160188488 366981454 /nfs/dbraw/zinc/98/14/54/366981454.db2.gz QNLSDFNJBXATMB-GFCCVEGCSA-N 1 0 258.431 2.120 10 70 CEIERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160592276 367021470 /nfs/dbraw/zinc/02/14/70/367021470.db2.gz DJFBXFRDAGJMSP-KCJUWKMLSA-N 1 0 271.158 2.111 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000160441261 367006513 /nfs/dbraw/zinc/00/65/13/367006513.db2.gz XOAURTRNYUUDTI-AWEZNQCLSA-N 1 0 284.787 2.371 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCOCC1 ZINC000160518696 367012661 /nfs/dbraw/zinc/01/26/61/367012661.db2.gz AQSUAYQHEVWACM-MRXNPFEDSA-N 1 0 296.455 2.430 10 70 CEIERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160772735 285353450 /nfs/dbraw/zinc/35/34/50/285353450.db2.gz JIOAGWSHSXCELT-KBRIMQKVSA-N 1 0 293.382 2.486 10 70 CEIERO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000159465342 395058392 /nfs/dbraw/zinc/05/83/92/395058392.db2.gz PXRKCRYFWGGQDM-MRXNPFEDSA-N 1 0 298.390 2.496 10 70 CEIERO CC(C)Cc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160276968 395060290 /nfs/dbraw/zinc/06/02/90/395060290.db2.gz NPVLLQAWVYAHNR-INIZCTEOSA-N 1 0 274.408 2.377 10 70 CEIERO CCOc1cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1O ZINC000217748142 153295668 /nfs/dbraw/zinc/29/56/68/153295668.db2.gz FVMSARZHSHEAQB-OCCSQVGLSA-N 1 0 278.396 2.173 10 70 CEIERO Cn1nccc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000160529459 527600130 /nfs/dbraw/zinc/60/01/30/527600130.db2.gz KACFRBDGOHTVMK-UHFFFAOYSA-N 1 0 256.353 2.195 10 70 CEIERO CCN(C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1)CC(F)(F)F ZINC000161397509 528751991 /nfs/dbraw/zinc/75/19/91/528751991.db2.gz IQHHFANJQQYFGR-OLZOCXBDSA-N 1 0 296.377 2.354 10 70 CEIERO CC(C)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000159486561 366918385 /nfs/dbraw/zinc/91/83/85/366918385.db2.gz XFGOFAJMMDVCHQ-HUUCEWRRSA-N 1 0 274.408 2.499 10 70 CEIERO C[C@@H](O)C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159619298 366933193 /nfs/dbraw/zinc/93/31/93/366933193.db2.gz ZZOQONKMBCQLPY-CQSZACIVSA-N 1 0 294.414 2.350 10 70 CEIERO CCN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160268146 366988961 /nfs/dbraw/zinc/98/89/61/366988961.db2.gz KEVNLEYRWGTGIA-CYBMUJFWSA-N 1 0 255.406 2.158 10 70 CEIERO O=C([C@H]1CCC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000160588126 275008256 /nfs/dbraw/zinc/00/82/56/275008256.db2.gz LZYKCHOULMYCPS-JTQLQIEISA-N 1 0 264.756 2.229 10 70 CEIERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000160237019 344457788 /nfs/dbraw/zinc/45/77/88/344457788.db2.gz YQWFVPDINDTKPU-GDBMZVCRSA-N 1 0 262.397 2.366 10 70 CEIERO CC[NH2+]CCCNc1ccncc1Br ZINC000159888076 366956353 /nfs/dbraw/zinc/95/63/53/366956353.db2.gz NCYGKCFDIOWUJG-UHFFFAOYSA-N 1 0 258.163 2.256 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(O)c(C)c1)[NH+](C)C ZINC000160671751 367025394 /nfs/dbraw/zinc/02/53/94/367025394.db2.gz WNNHTZICSHAVHG-GFCCVEGCSA-N 1 0 250.342 2.369 10 70 CEIERO CCC[C@@H](C(=O)NCCc1ccc(OC)cc1)[NH+](C)C ZINC000161169906 367063762 /nfs/dbraw/zinc/06/37/62/367063762.db2.gz ZZTXWVMBROBQTG-HNNXBMFYSA-N 1 0 278.396 2.084 10 70 CEIERO CCCC(O)(CCC)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000159707078 162314232 /nfs/dbraw/zinc/31/42/32/162314232.db2.gz XUZADLJRUMKXHK-HNNXBMFYSA-N 1 0 296.455 2.405 10 70 CEIERO C[NH2+]C[C@H]1CCCN1c1ccncc1Br ZINC000159925235 162320726 /nfs/dbraw/zinc/32/07/26/162320726.db2.gz BJXWJKIXCLUAOQ-SECBINFHSA-N 1 0 270.174 2.032 10 70 CEIERO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@](C)(O)CC ZINC000160397275 527929494 /nfs/dbraw/zinc/92/94/94/527929494.db2.gz WYSGPBQXTMSRDT-INIZCTEOSA-N 1 0 294.395 2.117 10 70 CEIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217641794 539227066 /nfs/dbraw/zinc/22/70/66/539227066.db2.gz FERLNJOKDBAGOM-IACUBPJLSA-N 1 0 297.420 2.044 10 70 CEIERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159733248 366943288 /nfs/dbraw/zinc/94/32/88/366943288.db2.gz LNKOEWUJUCDTNI-STQMWFEESA-N 1 0 255.406 2.205 10 70 CEIERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(C3CC3)CC2)[C@@H](C)C1 ZINC000160226192 366984344 /nfs/dbraw/zinc/98/43/44/366984344.db2.gz SJCVHGLBUTWKCM-JSGCOSHPSA-N 1 0 279.428 2.205 10 70 CEIERO CCC[C@@H](C(=O)N(C)Cc1cccc(N(C)C)c1)[NH+](C)C ZINC000160612006 367022147 /nfs/dbraw/zinc/02/21/47/367022147.db2.gz BHGPGJSVPFJGQY-INIZCTEOSA-N 1 0 291.439 2.441 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000160429188 367005406 /nfs/dbraw/zinc/00/54/06/367005406.db2.gz VMBNGOTVWBSVLU-MRXNPFEDSA-N 1 0 273.380 2.465 10 70 CEIERO CC1=C(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCCO1 ZINC000160544883 367015291 /nfs/dbraw/zinc/01/52/91/367015291.db2.gz PSMZMMQHGPRFAK-INIZCTEOSA-N 1 0 288.391 2.490 10 70 CEIERO CCC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)[NH+](C)C ZINC000160983344 367047393 /nfs/dbraw/zinc/04/73/93/367047393.db2.gz HQLGFBOPXBOWME-AWEZNQCLSA-N 1 0 277.368 2.314 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C ZINC000161148725 367062618 /nfs/dbraw/zinc/06/26/18/367062618.db2.gz JDJRLSFKCQNDEY-ZDUSSCGKSA-N 1 0 250.342 2.364 10 70 CEIERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000161311532 395063672 /nfs/dbraw/zinc/06/36/72/395063672.db2.gz DAXANSUNHRXNMH-BPLDGKMQSA-N 1 0 264.413 2.271 10 70 CEIERO CCC(CC)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000160569139 521528137 /nfs/dbraw/zinc/52/81/37/521528137.db2.gz UVNFQNZDVIHLEF-AWEZNQCLSA-N 1 0 267.417 2.302 10 70 CEIERO CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000159486246 519257668 /nfs/dbraw/zinc/25/76/68/519257668.db2.gz XFGOFAJMMDVCHQ-CABCVRRESA-N 1 0 274.408 2.499 10 70 CEIERO CCCCOC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000160651128 520703235 /nfs/dbraw/zinc/70/32/35/520703235.db2.gz HBUFUGWBIQLRGK-UHFFFAOYSA-N 1 0 293.411 2.333 10 70 CEIERO c1cc(C2CCN(CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000161312296 526419679 /nfs/dbraw/zinc/41/96/79/526419679.db2.gz UOJITXMFWROALN-UHFFFAOYSA-N 1 0 276.428 2.465 10 70 CEIERO CCCC(=O)N[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160816854 527944812 /nfs/dbraw/zinc/94/48/12/527944812.db2.gz FSGZPZYTTPXRQQ-MRXNPFEDSA-N 1 0 295.471 2.243 10 70 CEIERO CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@](C)(O)CC ZINC000160381426 367001178 /nfs/dbraw/zinc/00/11/78/367001178.db2.gz YSHONJMHQUUXSL-CZUORRHYSA-N 1 0 279.380 2.309 10 70 CEIERO CCc1ncnc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000160466909 367008462 /nfs/dbraw/zinc/00/84/62/367008462.db2.gz IJWRXIMTCPHWRU-JQWIXIFHSA-N 1 0 266.364 2.319 10 70 CEIERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])CC(C)C ZINC000160866035 367039799 /nfs/dbraw/zinc/03/97/99/367039799.db2.gz NCZOIPISIRWWIX-HOTGVXAUSA-N 1 0 292.423 2.250 10 70 CEIERO Brc1cnccc1NCC[C@H]1CC[NH2+]C1 ZINC000159901380 162318135 /nfs/dbraw/zinc/31/81/35/162318135.db2.gz AFMFFRRQGNMQTB-SECBINFHSA-N 1 0 270.174 2.256 10 70 CEIERO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000160448268 344458833 /nfs/dbraw/zinc/45/88/33/344458833.db2.gz BAEXHOKHOFFFCN-AWEZNQCLSA-N 1 0 264.369 2.142 10 70 CEIERO CC(C)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000160220955 366984421 /nfs/dbraw/zinc/98/44/21/366984421.db2.gz WPQISXJBVJXNTI-RDBSUJKOSA-N 1 0 269.433 2.449 10 70 CEIERO CC[C@@H](SC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160545300 367015494 /nfs/dbraw/zinc/01/54/94/367015494.db2.gz VRIPNFWDWUGKSK-CHWSQXEVSA-N 1 0 272.458 2.365 10 70 CEIERO C[C@H]([NH3+])[C@@H]1CCN(c2ccncc2Br)C1 ZINC000159927075 279408880 /nfs/dbraw/zinc/40/88/80/279408880.db2.gz JTTWERVTKQMHAA-DTWKUNHWSA-N 1 0 270.174 2.018 10 70 CEIERO CCC[C@H](C(=O)N(C)CCOc1ccccc1F)[NH+](C)C ZINC000161333259 297444062 /nfs/dbraw/zinc/44/40/62/297444062.db2.gz JWYQAZPFIGYQLC-CQSZACIVSA-N 1 0 296.386 2.393 10 70 CEIERO CCC[C@@H](C(=O)NCCc1cccc(OCC)c1)[NH+](C)C ZINC000161471220 297445400 /nfs/dbraw/zinc/44/54/00/297445400.db2.gz DXTYPPDLDYZTAT-INIZCTEOSA-N 1 0 292.423 2.474 10 70 CEIERO OCC[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000159745617 366944452 /nfs/dbraw/zinc/94/44/52/366944452.db2.gz AMOFBSKCRUKTQO-CQSZACIVSA-N 1 0 294.782 2.290 10 70 CEIERO CC(C)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160221066 366983898 /nfs/dbraw/zinc/98/38/98/366983898.db2.gz WPQISXJBVJXNTI-IHRRRGAJSA-N 1 0 269.433 2.449 10 70 CEIERO C[NH2+]CCNCc1cc(C)c(Br)s1 ZINC000161277111 367074212 /nfs/dbraw/zinc/07/42/12/367074212.db2.gz DWZFEAAGQLVBKU-UHFFFAOYSA-N 1 0 263.204 2.128 10 70 CEIERO CCC(CC)CNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000160560818 344459608 /nfs/dbraw/zinc/45/96/08/344459608.db2.gz LNZSUAPEWQJSAE-OAHLLOKOSA-N 1 0 299.459 2.175 10 70 CEIERO O[C@@]12CCCC[C@H]1C[N@H+](CCOCC1CC1)CC2 ZINC000161080119 367055724 /nfs/dbraw/zinc/05/57/24/367055724.db2.gz MYPDPTJYIIAZGE-LSDHHAIUSA-N 1 0 253.386 2.040 10 70 CEIERO CCCCCNC(=O)C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000160556671 395061032 /nfs/dbraw/zinc/06/10/32/395061032.db2.gz NZVKJGGJGZRGQZ-MRXNPFEDSA-N 1 0 284.444 2.166 10 70 CEIERO CC[C@H]1COCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000159713633 162313457 /nfs/dbraw/zinc/31/34/57/162313457.db2.gz HLAVVQPDZDFFHR-INIZCTEOSA-N 1 0 280.387 2.368 10 70 CEIERO C[C@@H]1OCCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H]1C ZINC000160283744 278053381 /nfs/dbraw/zinc/05/33/81/278053381.db2.gz JCBGKOJBOVYNHJ-KBPBESRZSA-N 1 0 280.387 2.367 10 70 CEIERO C[C@H](O)C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159619177 366932280 /nfs/dbraw/zinc/93/22/80/366932280.db2.gz ZZOQONKMBCQLPY-AWEZNQCLSA-N 1 0 294.414 2.350 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161133004 367061113 /nfs/dbraw/zinc/06/11/13/367061113.db2.gz JWVJLBLZMAETFA-WBVHZDCISA-N 1 0 290.407 2.275 10 70 CEIERO CCC[C@H](C(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000161144608 367062376 /nfs/dbraw/zinc/06/23/76/367062376.db2.gz HXKZJJWBMNQWOG-CYBMUJFWSA-N 1 0 250.342 2.364 10 70 CEIERO CS[C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000161174342 367063385 /nfs/dbraw/zinc/06/33/85/367063385.db2.gz GOUUIZWEYSPQKL-VXGBXAGGSA-N 1 0 260.447 2.221 10 70 CEIERO CCC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)[NH+](C)C ZINC000161176398 367065203 /nfs/dbraw/zinc/06/52/03/367065203.db2.gz VYEUYHBEFWJALQ-CQSZACIVSA-N 1 0 280.368 2.373 10 70 CEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000161281692 367074723 /nfs/dbraw/zinc/07/47/23/367074723.db2.gz UAGWFZLGBIXSFT-FZMZJTMJSA-N 1 0 286.379 2.021 10 70 CEIERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000161291069 367075551 /nfs/dbraw/zinc/07/55/51/367075551.db2.gz DGOHTUAGXWUJFM-CQSZACIVSA-N 1 0 292.427 2.120 10 70 CEIERO C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000218260051 370207365 /nfs/dbraw/zinc/20/73/65/370207365.db2.gz AAAYRJYPLUCUGA-ZOBORPQBSA-N 1 0 250.386 2.023 10 70 CEIERO CC1CCN(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000160679820 395061661 /nfs/dbraw/zinc/06/16/61/395061661.db2.gz SFFLSAZSYCDWTD-GJZGRUSLSA-N 1 0 279.428 2.397 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000160400136 519721786 /nfs/dbraw/zinc/72/17/86/519721786.db2.gz DMLIEFFYNCBQFD-RBSFLKMASA-N 1 0 264.413 2.269 10 70 CEIERO Cc1nn(C)c(C)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160545598 527631032 /nfs/dbraw/zinc/63/10/32/527631032.db2.gz SPHSOOMANLTVHQ-UHFFFAOYSA-N 1 0 273.384 2.140 10 70 CEIERO CCc1ccc([C@H](NC(=O)[C@H]([NH3+])COC)C(C)C)cc1 ZINC000159414793 366909829 /nfs/dbraw/zinc/90/98/29/366909829.db2.gz HMPRGTJAABVZMF-HUUCEWRRSA-N 1 0 278.396 2.036 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161174654 367063541 /nfs/dbraw/zinc/06/35/41/367063541.db2.gz AAHXQGLEZFCBCU-LBPRGKRZSA-N 1 0 280.368 2.373 10 70 CEIERO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1CCCO1 ZINC000160743442 367031592 /nfs/dbraw/zinc/03/15/92/367031592.db2.gz POJXQCYPGBHFQL-HIFRSBDPSA-N 1 0 297.443 2.070 10 70 CEIERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000159922867 540439977 /nfs/dbraw/zinc/43/99/77/540439977.db2.gz OKXPYVYCPWHZPB-ZBFHGGJFSA-N 1 0 262.397 2.366 10 70 CEIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(C2CC2)CC1 ZINC000159643828 366936050 /nfs/dbraw/zinc/93/60/50/366936050.db2.gz JESAAUMWCUFKGK-CQSZACIVSA-N 1 0 281.444 2.452 10 70 CEIERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000160220156 366984120 /nfs/dbraw/zinc/98/41/20/366984120.db2.gz NMMSTVASHXGTFY-GFCCVEGCSA-N 1 0 289.766 2.452 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000160514753 367012157 /nfs/dbraw/zinc/01/21/57/367012157.db2.gz SAIQBKVVKDKCMX-HNNXBMFYSA-N 1 0 264.369 2.026 10 70 CEIERO CCC[C@@H](C(=O)NCCc1ccc(C)cc1)[NH+](C)C ZINC000160209919 366982737 /nfs/dbraw/zinc/98/27/37/366982737.db2.gz AKIZWELSQGRFGB-HNNXBMFYSA-N 1 0 262.397 2.384 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000160429061 367005214 /nfs/dbraw/zinc/00/52/14/367005214.db2.gz VMBNGOTVWBSVLU-INIZCTEOSA-N 1 0 273.380 2.465 10 70 CEIERO CCC[C@H](C(=O)NCCc1ccc(OC)cc1)[NH+](C)C ZINC000161170038 367063839 /nfs/dbraw/zinc/06/38/39/367063839.db2.gz ZZTXWVMBROBQTG-OAHLLOKOSA-N 1 0 278.396 2.084 10 70 CEIERO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000161176810 367065335 /nfs/dbraw/zinc/06/53/35/367065335.db2.gz RSGBCBGVOFVGLI-ZDUSSCGKSA-N 1 0 298.814 2.255 10 70 CEIERO CCC[C@@H](C(=O)N1CCc2sccc2C1)[NH+](C)C ZINC000161363720 367081490 /nfs/dbraw/zinc/08/14/90/367081490.db2.gz IEEVJHOTBMBKFS-LBPRGKRZSA-N 1 0 266.410 2.363 10 70 CEIERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccncc1Br ZINC000159926233 162320661 /nfs/dbraw/zinc/32/06/61/162320661.db2.gz QOEMLMFSDGMJGY-BDAKNGLRSA-N 1 0 270.174 2.018 10 70 CEIERO Cc1cccc([C@H]2CCCN2Cc2nnnn2C(C)C)n1 ZINC000160051926 162321361 /nfs/dbraw/zinc/32/13/61/162321361.db2.gz IZIYAVDTMJNXAZ-CQSZACIVSA-N 1 0 286.383 2.295 10 70 CEIERO CCn1ccnc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000217798950 280209795 /nfs/dbraw/zinc/20/97/95/280209795.db2.gz AWBZMXSPQQPXFE-UHFFFAOYSA-N 1 0 296.415 2.296 10 70 CEIERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121181 300574313 /nfs/dbraw/zinc/57/43/13/300574313.db2.gz FOCSWNWHMQLSBI-YINFPWJTSA-N 1 0 276.424 2.315 10 70 CEIERO C[N@H+](CCN1CCOC[C@@H]1C1CC1)Cc1ccc(F)cc1 ZINC000161272491 522841002 /nfs/dbraw/zinc/84/10/02/522841002.db2.gz KAXOCFURMKKEGE-QGZVFWFLSA-N 1 0 292.398 2.368 10 70 CEIERO c1nc2ccccn2c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160534772 526610349 /nfs/dbraw/zinc/61/03/49/526610349.db2.gz OMNMEZNTHIVAOZ-CQSZACIVSA-N 1 0 270.380 2.004 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CCc1ccccc1OC ZINC000160921174 529507895 /nfs/dbraw/zinc/50/78/95/529507895.db2.gz GVYYKDSZXXLKMM-OAHLLOKOSA-N 1 0 251.370 2.331 10 70 CEIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000217654625 539227194 /nfs/dbraw/zinc/22/71/94/539227194.db2.gz JCNOYHOTYCFXIZ-IACUBPJLSA-N 1 0 277.364 2.412 10 70 CEIERO C[C@@H]1COC[C@@H](C)N1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000160519852 344459656 /nfs/dbraw/zinc/45/96/56/344459656.db2.gz GLHBDPUXPCHUPX-NFAWXSAZSA-N 1 0 276.380 2.102 10 70 CEIERO CCC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)[NH+](C)C ZINC000160983473 188501893 /nfs/dbraw/zinc/50/18/93/188501893.db2.gz HQLGFBOPXBOWME-CQSZACIVSA-N 1 0 277.368 2.314 10 70 CEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000160226080 366984099 /nfs/dbraw/zinc/98/40/99/366984099.db2.gz SJCVHGLBUTWKCM-OCCSQVGLSA-N 1 0 279.428 2.205 10 70 CEIERO OCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161096283 367056680 /nfs/dbraw/zinc/05/66/80/367056680.db2.gz DPVWQQZBGWWWFZ-CHWSQXEVSA-N 1 0 289.297 2.196 10 70 CEIERO COc1ccc(Cn2nc(C(N)=[NH2+])c3ccccc32)cc1 ZINC000218703097 370212322 /nfs/dbraw/zinc/21/23/22/370212322.db2.gz YHPZSFAPCRBNRU-UHFFFAOYSA-N 1 0 280.331 2.377 10 70 CEIERO CCOc1cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1O ZINC000217748218 153297676 /nfs/dbraw/zinc/29/76/76/153297676.db2.gz FVMSARZHSHEAQB-JSGCOSHPSA-N 1 0 278.396 2.173 10 70 CEIERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000159603594 281383097 /nfs/dbraw/zinc/38/30/97/281383097.db2.gz PLHRMBXMANEEMG-STQMWFEESA-N 1 0 256.353 2.252 10 70 CEIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000160404989 525084976 /nfs/dbraw/zinc/08/49/76/525084976.db2.gz VDJRZHAWDWNGIQ-ZIAGYGMSSA-N 1 0 270.380 2.003 10 70 CEIERO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000160999763 525839666 /nfs/dbraw/zinc/83/96/66/525839666.db2.gz FNGFNKPZQQXLSA-RHSMWYFYSA-N 1 0 294.414 2.493 10 70 CEIERO Brc1cnccc1NC[C@@H]1CCCC[NH2+]1 ZINC000159891100 366956423 /nfs/dbraw/zinc/95/64/23/366956423.db2.gz LFNUXGYRDPKPCA-VIFPVBQESA-N 1 0 270.174 2.398 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccoc1 ZINC000160376654 367001241 /nfs/dbraw/zinc/00/12/41/367001241.db2.gz HWLLMFDETKIBIR-OAHLLOKOSA-N 1 0 278.396 2.449 10 70 CEIERO CSCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160465327 367007934 /nfs/dbraw/zinc/00/79/34/367007934.db2.gz VFFFXVYKZNJPRV-CYBMUJFWSA-N 1 0 272.458 2.366 10 70 CEIERO CSc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000161372934 367080767 /nfs/dbraw/zinc/08/07/67/367080767.db2.gz LZCXWSVJMJMMPP-LLVKDONJSA-N 1 0 282.384 2.324 10 70 CEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000161263063 367073418 /nfs/dbraw/zinc/07/34/18/367073418.db2.gz GMILJRIAETZUMQ-AWEZNQCLSA-N 1 0 271.368 2.073 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccc(OC)c(F)c1)[NH+](C)C ZINC000161489433 367091213 /nfs/dbraw/zinc/09/12/13/367091213.db2.gz UHTZEQJKLHLGCH-ZDUSSCGKSA-N 1 0 282.359 2.181 10 70 CEIERO C[C@@H]([NH3+])[C@H]1CCN(c2ccncc2Br)C1 ZINC000159927495 162319641 /nfs/dbraw/zinc/31/96/41/162319641.db2.gz JTTWERVTKQMHAA-BDAKNGLRSA-N 1 0 270.174 2.018 10 70 CEIERO CCOC(=O)CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160946937 520635196 /nfs/dbraw/zinc/63/51/96/520635196.db2.gz ULTGLICQFBWZFM-ZBFHGGJFSA-N 1 0 283.412 2.347 10 70 CEIERO Cn1cc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)cn1 ZINC000161141958 527319169 /nfs/dbraw/zinc/31/91/69/527319169.db2.gz GUNTXSXBLYQAQC-HNNXBMFYSA-N 1 0 276.428 2.085 10 70 CEIERO CCC(CC)(C[NH3+])C(=O)Nc1nnc(CC(C)C)s1 ZINC000161164545 188512296 /nfs/dbraw/zinc/51/22/96/188512296.db2.gz YEAJHCHPWDJIPV-UHFFFAOYSA-N 1 0 284.429 2.440 10 70 CEIERO CCCn1nccc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000160087605 540111502 /nfs/dbraw/zinc/11/15/02/540111502.db2.gz BGHORKLJYZOOQJ-CQSZACIVSA-N 1 0 266.433 2.359 10 70 CEIERO CCC[C@H](C(=O)NCc1ccccc1F)[NH+](C)C ZINC000161211204 367069330 /nfs/dbraw/zinc/06/93/30/367069330.db2.gz VTICWZWFIOKOMM-CYBMUJFWSA-N 1 0 252.333 2.172 10 70 CEIERO CCC[C@@H](C(=O)NCCc1cccs1)[NH+](C)C ZINC000161255387 367072644 /nfs/dbraw/zinc/07/26/44/367072644.db2.gz MXWBNVFPVSOUHK-LBPRGKRZSA-N 1 0 254.399 2.137 10 70 CEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000161316738 367077527 /nfs/dbraw/zinc/07/75/27/367077527.db2.gz RLGYMIJNHVDNRM-CJNGLKHVSA-N 1 0 285.391 2.398 10 70 CEIERO c1cnn(CC2CC[NH+](Cc3cnc4ccccn34)CC2)c1 ZINC000160091322 162322155 /nfs/dbraw/zinc/32/21/55/162322155.db2.gz GSQLGAIXPSRZEN-UHFFFAOYSA-N 1 0 295.390 2.443 10 70 CEIERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160504417 279239818 /nfs/dbraw/zinc/23/98/18/279239818.db2.gz BDWGXMGAOVXEOR-XJKCOSOUSA-N 1 0 283.412 2.344 10 70 CEIERO COC(=O)c1coc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160628987 534315898 /nfs/dbraw/zinc/31/58/98/534315898.db2.gz YGAGCKAVEJQWTQ-CJNGLKHVSA-N 1 0 293.363 2.193 10 70 CEIERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C2)n1 ZINC000160911547 524678733 /nfs/dbraw/zinc/67/87/33/524678733.db2.gz UGVCHBKMMBQRIE-GJZGRUSLSA-N 1 0 275.396 2.303 10 70 CEIERO CC[N@H+](CCN(C)Cc1ccc(F)cc1)CC(C)(C)O ZINC000159685314 366939009 /nfs/dbraw/zinc/93/90/09/366939009.db2.gz MRIBSSVGQIESNE-UHFFFAOYSA-N 1 0 282.403 2.350 10 70 CEIERO O[C@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159727705 366943316 /nfs/dbraw/zinc/94/33/16/366943316.db2.gz AECVINJRCXYWIY-UONOGXRCSA-N 1 0 294.782 2.290 10 70 CEIERO CS[C@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000159644109 366935895 /nfs/dbraw/zinc/93/58/95/366935895.db2.gz RMLSHBGGQDMXBO-VXGBXAGGSA-N 1 0 275.462 2.013 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCS1 ZINC000160176850 366979808 /nfs/dbraw/zinc/97/98/08/366979808.db2.gz FJGZJYZADUZTMO-KGLIPLIRSA-N 1 0 299.484 2.302 10 70 CEIERO CC[C@H](C)OCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160432238 367004731 /nfs/dbraw/zinc/00/47/31/367004731.db2.gz ITGNGTJTEMYTCB-UONOGXRCSA-N 1 0 270.417 2.038 10 70 CEIERO CCC[C@H](C(=O)NCc1cccc(OC)c1)[NH+](C)C ZINC000161205944 367068657 /nfs/dbraw/zinc/06/86/57/367068657.db2.gz NRCUEDNVMAPRNC-CQSZACIVSA-N 1 0 264.369 2.042 10 70 CEIERO CCC[NH2+]CCNc1ccncc1Br ZINC000159895075 162320529 /nfs/dbraw/zinc/32/05/29/162320529.db2.gz ATGFXPYOFKQXFX-UHFFFAOYSA-N 1 0 258.163 2.256 10 70 CEIERO CC[N@@H+]1CCC[C@H](Nc2nnc(C(F)(F)F)s2)C1 ZINC000160162470 270238348 /nfs/dbraw/zinc/23/83/48/270238348.db2.gz YLRNFGHUXHHWON-ZETCQYMHSA-N 1 0 280.319 2.453 10 70 CEIERO CCC[C@H](C(=O)NCc1ccc(F)c(C)c1)[NH+](C)C ZINC000161353857 297444084 /nfs/dbraw/zinc/44/40/84/297444084.db2.gz PQBKKOXJFBTRES-CQSZACIVSA-N 1 0 266.360 2.481 10 70 CEIERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121444 300569129 /nfs/dbraw/zinc/56/91/29/300569129.db2.gz FOCSWNWHMQLSBI-NZYIEUEFSA-N 1 0 276.424 2.315 10 70 CEIERO c1cncc(O[C@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000161417868 526547476 /nfs/dbraw/zinc/54/74/76/526547476.db2.gz RQKVKAHBMPENQC-KRWDZBQOSA-N 1 0 289.423 2.411 10 70 CEIERO Cn1cc([C@@H]2CCCN2CCC[NH+]2CCCCC2)cn1 ZINC000161330989 527297374 /nfs/dbraw/zinc/29/73/74/527297374.db2.gz LINUXKPEUQTYOV-INIZCTEOSA-N 1 0 276.428 2.433 10 70 CEIERO Cn1cc([C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)cn1 ZINC000160473635 527300454 /nfs/dbraw/zinc/30/04/54/527300454.db2.gz DAFSKVZWHRNKRV-CYBMUJFWSA-N 1 0 281.363 2.057 10 70 CEIERO CCC[C@H](C(=O)Nc1cccc(-c2nnco2)c1)[NH+](C)C ZINC000161494132 188530917 /nfs/dbraw/zinc/53/09/17/188530917.db2.gz KHKFIUCOULLYJV-CYBMUJFWSA-N 1 0 288.351 2.405 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160518195 395060757 /nfs/dbraw/zinc/06/07/57/395060757.db2.gz HATZWOMYIPIWAZ-MRXNPFEDSA-N 1 0 278.396 2.335 10 70 CEIERO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161087804 518649321 /nfs/dbraw/zinc/64/93/21/518649321.db2.gz VLVHVMIRTOEZQO-PBHICJAKSA-N 1 0 296.455 2.166 10 70 CEIERO Cn1cc([C@H]2CC[N@H+](Cc3cnc4ccccn34)C2)cn1 ZINC000160473768 527318953 /nfs/dbraw/zinc/31/89/53/527318953.db2.gz DAFSKVZWHRNKRV-ZDUSSCGKSA-N 1 0 281.363 2.057 10 70 CEIERO COc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)ccc1F ZINC000160400143 367002757 /nfs/dbraw/zinc/00/27/57/367002757.db2.gz ZFDAKQADJGHARU-MWLCHTKSSA-N 1 0 266.316 2.161 10 70 CEIERO [NH3+]C[C@@H]1CCCN(c2ccncc2Br)C1 ZINC000159795648 162317207 /nfs/dbraw/zinc/31/72/07/162317207.db2.gz OKHDNLQKPYUQJR-VIFPVBQESA-N 1 0 270.174 2.019 10 70 CEIERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccncc1Br ZINC000159911092 162320721 /nfs/dbraw/zinc/32/07/21/162320721.db2.gz QHGSPJKACRFGNP-SCZZXKLOSA-N 1 0 270.174 2.383 10 70 CEIERO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000160999450 525794166 /nfs/dbraw/zinc/79/41/66/525794166.db2.gz FNGFNKPZQQXLSA-YOEHRIQHSA-N 1 0 294.414 2.493 10 70 CEIERO COc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000160357444 574511272 /nfs/dbraw/zinc/51/12/72/574511272.db2.gz KZACOOGOERRPFI-GXSJLCMTSA-N 1 0 266.316 2.148 10 70 CEIERO CCN1CCO[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160989510 540695472 /nfs/dbraw/zinc/69/54/72/540695472.db2.gz KOMIMXRJBXXFME-AWEZNQCLSA-N 1 0 286.778 2.289 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCS1 ZINC000160176984 366979856 /nfs/dbraw/zinc/97/98/56/366979856.db2.gz FJGZJYZADUZTMO-ZIAGYGMSSA-N 1 0 299.484 2.302 10 70 CEIERO CCCC(=O)N[C@H]1CCC[N@H+](CCSCC)C1 ZINC000160188635 366980657 /nfs/dbraw/zinc/98/06/57/366980657.db2.gz QNLSDFNJBXATMB-LBPRGKRZSA-N 1 0 258.431 2.120 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000160514864 367012107 /nfs/dbraw/zinc/01/21/07/367012107.db2.gz SAIQBKVVKDKCMX-OAHLLOKOSA-N 1 0 264.369 2.026 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C ZINC000161193028 367066743 /nfs/dbraw/zinc/06/67/43/367066743.db2.gz ZBNIMWVDGQMKLJ-ZDUSSCGKSA-N 1 0 252.333 2.172 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000160689431 367027845 /nfs/dbraw/zinc/02/78/45/367027845.db2.gz WIWALZUJDBIXAG-OAHLLOKOSA-N 1 0 296.436 2.103 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(N2CCCC2)nc1)[NH+](C)C ZINC000161383795 367082387 /nfs/dbraw/zinc/08/23/87/367082387.db2.gz QBDRCKQMIACYER-AWEZNQCLSA-N 1 0 290.411 2.351 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(F)c(NC(C)=O)c1)[NH+](C)C ZINC000161406073 367083166 /nfs/dbraw/zinc/08/31/66/367083166.db2.gz HBEXQRKXPDNIAH-AWEZNQCLSA-N 1 0 295.358 2.453 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)[NH+](C)C ZINC000161424048 367084953 /nfs/dbraw/zinc/08/49/53/367084953.db2.gz VYQROTBNWKGPGP-AWEZNQCLSA-N 1 0 263.385 2.421 10 70 CEIERO CCC[C@@H](C(=O)NCc1ccccc1COC)[NH+](C)C ZINC000161485195 367090595 /nfs/dbraw/zinc/09/05/95/367090595.db2.gz RPOLIRXZHSZPPN-HNNXBMFYSA-N 1 0 278.396 2.180 10 70 CEIERO C[C@H]1C[C@H](C[NH3+])CN1c1ccncc1Br ZINC000159926113 162319150 /nfs/dbraw/zinc/31/91/50/162319150.db2.gz QOEMLMFSDGMJGY-DTWKUNHWSA-N 1 0 270.174 2.018 10 70 CEIERO COc1ccc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000217594858 280209424 /nfs/dbraw/zinc/20/94/24/280209424.db2.gz NPCGGMKUPNUUSN-YHAOYDPOSA-N 1 0 274.364 2.048 10 70 CEIERO COC[C@@H]([NH3+])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000159413943 366910278 /nfs/dbraw/zinc/91/02/78/366910278.db2.gz JBJIRIRGZCFDPX-GFCCVEGCSA-N 1 0 291.376 2.031 10 70 CEIERO CCC[C@@H](C(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000161144476 367060819 /nfs/dbraw/zinc/06/08/19/367060819.db2.gz HXKZJJWBMNQWOG-ZDUSSCGKSA-N 1 0 250.342 2.364 10 70 CEIERO CCC[C@@H](C(=O)N(C)Cc1ccc(O)c(OC)c1)[NH+](C)C ZINC000159725973 276268655 /nfs/dbraw/zinc/26/86/55/276268655.db2.gz LRRWXUHXOFYBPQ-ZDUSSCGKSA-N 1 0 294.395 2.090 10 70 CEIERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cnn(C)c1 ZINC000160460952 276636990 /nfs/dbraw/zinc/63/69/90/276636990.db2.gz FJFQLWULOMEHEA-UBHSHLNASA-N 1 0 251.374 2.012 10 70 CEIERO CCOCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161397069 519904065 /nfs/dbraw/zinc/90/40/65/519904065.db2.gz QYDMMNVVGRJBFK-UHFFFAOYSA-N 1 0 268.376 2.226 10 70 CEIERO Cc1noc(Cl)c1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161200654 526634069 /nfs/dbraw/zinc/63/40/69/526634069.db2.gz RYMDHMLAEVYGND-CABZTGNLSA-N 1 0 299.802 2.024 10 70 CEIERO Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(C[NH+](C)C)c1 ZINC000160103225 366973327 /nfs/dbraw/zinc/97/33/27/366973327.db2.gz UXMIVZDVPVGHEW-OAHLLOKOSA-N 1 0 278.396 2.402 10 70 CEIERO CC[NH2+]CC1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160387308 367000942 /nfs/dbraw/zinc/00/09/42/367000942.db2.gz KRBRDJLIZYJVHF-UHFFFAOYSA-N 1 0 294.346 2.383 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161133120 367060735 /nfs/dbraw/zinc/06/07/35/367060735.db2.gz JWVJLBLZMAETFA-NVXWUHKLSA-N 1 0 290.407 2.275 10 70 CEIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N1CCCCCC1 ZINC000160680512 367026796 /nfs/dbraw/zinc/02/67/96/367026796.db2.gz KFHHINFVFZAGRY-ZIAGYGMSSA-N 1 0 265.401 2.151 10 70 CEIERO CCC[C@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000161269370 276281082 /nfs/dbraw/zinc/28/10/82/276281082.db2.gz FXTXHYFUVNNFJS-CYBMUJFWSA-N 1 0 292.379 2.104 10 70 CEIERO CCC[C@@H](C(=O)NCCc1ccccc1OC)[NH+](C)C ZINC000161252190 297443042 /nfs/dbraw/zinc/44/30/42/297443042.db2.gz DBYSWOZMHASDSN-AWEZNQCLSA-N 1 0 278.396 2.084 10 70 CEIERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc2ccccn12 ZINC000160933534 521630934 /nfs/dbraw/zinc/63/09/34/521630934.db2.gz NOKBTUWGTBDDQZ-CQSZACIVSA-N 1 0 272.396 2.250 10 70 CEIERO COCCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160704434 523112666 /nfs/dbraw/zinc/11/26/66/523112666.db2.gz LXVJRVVCMQZHKQ-CABCVRRESA-N 1 0 255.402 2.430 10 70 CEIERO CCCCN(C)C(=O)C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000160629182 528325042 /nfs/dbraw/zinc/32/50/42/528325042.db2.gz BLEJXVMHLKDOPV-MRXNPFEDSA-N 1 0 284.444 2.118 10 70 CEIERO CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@](C)(O)CC ZINC000160381299 367000922 /nfs/dbraw/zinc/00/09/22/367000922.db2.gz YSHONJMHQUUXSL-CJNGLKHVSA-N 1 0 279.380 2.309 10 70 CEIERO C[NH2+]CCC1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160374966 367001021 /nfs/dbraw/zinc/00/10/21/367001021.db2.gz YPTVTQLLZXDBBG-UHFFFAOYSA-N 1 0 294.346 2.383 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC000160400393 367002738 /nfs/dbraw/zinc/00/27/38/367002738.db2.gz SNVZMMWLVWBGMT-CABCVRRESA-N 1 0 282.428 2.182 10 70 CEIERO CC[C@@H](C)OCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160432145 367005541 /nfs/dbraw/zinc/00/55/41/367005541.db2.gz ITGNGTJTEMYTCB-ZIAGYGMSSA-N 1 0 270.417 2.038 10 70 CEIERO CCC[C@@H](C(=O)NCc1cccc(OC)c1OC)[NH+](C)C ZINC000161477566 367089524 /nfs/dbraw/zinc/08/95/24/367089524.db2.gz PARWYKCFYGZXKY-ZDUSSCGKSA-N 1 0 294.395 2.050 10 70 CEIERO OC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159733414 285246145 /nfs/dbraw/zinc/24/61/45/285246145.db2.gz QNSJRDWVNSHOCM-AWEZNQCLSA-N 1 0 294.782 2.290 10 70 CEIERO C[C@H]1OCCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H]1C ZINC000160283890 395060425 /nfs/dbraw/zinc/06/04/25/395060425.db2.gz JCBGKOJBOVYNHJ-ZIAGYGMSSA-N 1 0 280.387 2.367 10 70 CEIERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000159922736 540440039 /nfs/dbraw/zinc/44/00/39/540440039.db2.gz OKXPYVYCPWHZPB-GDBMZVCRSA-N 1 0 262.397 2.366 10 70 CEIERO COc1ccc([C@@H](C)CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160298942 366991893 /nfs/dbraw/zinc/99/18/93/366991893.db2.gz YZGKGUKWOSUJHV-GXTWGEPZSA-N 1 0 276.380 2.139 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000160441370 367005863 /nfs/dbraw/zinc/00/58/63/367005863.db2.gz XOAURTRNYUUDTI-CQSZACIVSA-N 1 0 284.787 2.371 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000160510056 367011750 /nfs/dbraw/zinc/01/17/50/367011750.db2.gz VVXPFOPEKWQWJJ-INIZCTEOSA-N 1 0 278.396 2.335 10 70 CEIERO CC1CCN(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000160679928 395062065 /nfs/dbraw/zinc/06/20/65/395062065.db2.gz SFFLSAZSYCDWTD-LSDHHAIUSA-N 1 0 279.428 2.397 10 70 CEIERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccncc1Br ZINC000159910955 162319652 /nfs/dbraw/zinc/31/96/52/162319652.db2.gz QHGSPJKACRFGNP-PSASIEDQSA-N 1 0 270.174 2.383 10 70 CEIERO [NH3+]C[C@H]1CCCCN1c1ccncc1Br ZINC000159891681 162320636 /nfs/dbraw/zinc/32/06/36/162320636.db2.gz NFOWKZZFWDVHQM-SECBINFHSA-N 1 0 270.174 2.162 10 70 CEIERO CCC[C@H](C(=O)N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC000161478212 276037741 /nfs/dbraw/zinc/03/77/41/276037741.db2.gz GFZILDCLZWLHPX-OAHLLOKOSA-N 1 0 278.371 2.441 10 70 CEIERO CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)cc1)[NH+](C)C ZINC000159834779 276269131 /nfs/dbraw/zinc/26/91/31/276269131.db2.gz WJIAPQHUSNNWAI-DOMZBBRYSA-N 1 0 278.396 2.170 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CCc1ccccc1OC ZINC000160921059 529372823 /nfs/dbraw/zinc/37/28/23/529372823.db2.gz GVYYKDSZXXLKMM-HNNXBMFYSA-N 1 0 251.370 2.331 10 70 CEIERO Cn1nccc1C1CC[NH+](CCOCC2CC2)CC1 ZINC000160065377 232249040 /nfs/dbraw/zinc/24/90/40/232249040.db2.gz NIXJRLWIKOHSLN-UHFFFAOYSA-N 1 0 263.385 2.026 10 70 CEIERO O[C@H](C[C@H]1CCC[N@@H+]1CCn1ccnc1)c1ccccc1 ZINC000159861290 366954899 /nfs/dbraw/zinc/95/48/99/366954899.db2.gz HJTRRVUUTGCMLI-IAGOWNOFSA-N 1 0 285.391 2.471 10 70 CEIERO Brc1cnccc1NC[C@H]1CCCC[NH2+]1 ZINC000159891222 366956098 /nfs/dbraw/zinc/95/60/98/366956098.db2.gz LFNUXGYRDPKPCA-SECBINFHSA-N 1 0 270.174 2.398 10 70 CEIERO CC[C@H](C)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160298326 366992475 /nfs/dbraw/zinc/99/24/75/366992475.db2.gz STHVMSKPGTYDJF-UONOGXRCSA-N 1 0 290.473 2.072 10 70 CEIERO CCOC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000217183635 400306745 /nfs/dbraw/zinc/30/67/45/400306745.db2.gz XEGLLTWHXXUGGI-HOTGVXAUSA-N 1 0 293.407 2.236 10 70 CEIERO COCCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160704303 277203997 /nfs/dbraw/zinc/20/39/97/277203997.db2.gz LXVJRVVCMQZHKQ-HUUCEWRRSA-N 1 0 255.402 2.430 10 70 CEIERO c1csc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161354911 526589521 /nfs/dbraw/zinc/58/95/21/526589521.db2.gz GLRYSJQVCPVXAN-CQSZACIVSA-N 1 0 295.452 2.392 10 70 CEIERO CCN1CCO[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160989382 540695369 /nfs/dbraw/zinc/69/53/69/540695369.db2.gz KOMIMXRJBXXFME-CQSZACIVSA-N 1 0 286.778 2.289 10 70 CEIERO Cc1ccc(CCCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160347040 366997896 /nfs/dbraw/zinc/99/78/96/366997896.db2.gz HVKIYJQRJNZKGH-HNNXBMFYSA-N 1 0 260.381 2.267 10 70 CEIERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(F)cc1 ZINC000161122800 367058983 /nfs/dbraw/zinc/05/89/83/367058983.db2.gz OAMBJYKWPYDXDP-BZPMIXESSA-N 1 0 294.370 2.227 10 70 CEIERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccncc1Br ZINC000159926356 162319772 /nfs/dbraw/zinc/31/97/72/162319772.db2.gz QOEMLMFSDGMJGY-IUCAKERBSA-N 1 0 270.174 2.018 10 70 CEIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N1CCC(C)CC1 ZINC000160669877 276376508 /nfs/dbraw/zinc/37/65/08/276376508.db2.gz OZAGTVZNOGMPOZ-AWEZNQCLSA-N 1 0 267.417 2.254 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000161454250 523662967 /nfs/dbraw/zinc/66/29/67/523662967.db2.gz QGWSJKNYMNEMQG-HZPDHXFCSA-N 1 0 285.428 2.198 10 70 CEIERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000160237160 344457419 /nfs/dbraw/zinc/45/74/19/344457419.db2.gz YQWFVPDINDTKPU-ZBFHGGJFSA-N 1 0 262.397 2.366 10 70 CEIERO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1CCCO1 ZINC000160743713 367031555 /nfs/dbraw/zinc/03/15/55/367031555.db2.gz POJXQCYPGBHFQL-UKRRQHHQSA-N 1 0 297.443 2.070 10 70 CEIERO CCC[C@H](C(=O)NCc1ccc(OC)c(F)c1)[NH+](C)C ZINC000161489557 367090880 /nfs/dbraw/zinc/09/08/80/367090880.db2.gz UHTZEQJKLHLGCH-CYBMUJFWSA-N 1 0 282.359 2.181 10 70 CEIERO Brc1cnccc1NCC[C@@H]1CC[NH2+]C1 ZINC000159901282 162319467 /nfs/dbraw/zinc/31/94/67/162319467.db2.gz AFMFFRRQGNMQTB-VIFPVBQESA-N 1 0 270.174 2.256 10 70 CEIERO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc2c1OCO2 ZINC000159913704 162320627 /nfs/dbraw/zinc/32/06/27/162320627.db2.gz RPLWWXUUJNMTJE-OLZOCXBDSA-N 1 0 293.363 2.207 10 70 CEIERO CCc1ccc([C@@H](NC(=O)[C@H]([NH3+])COC)C(C)C)cc1 ZINC000159414938 366909799 /nfs/dbraw/zinc/90/97/99/366909799.db2.gz HMPRGTJAABVZMF-CABCVRRESA-N 1 0 278.396 2.036 10 70 CEIERO CCCSCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160487578 367010659 /nfs/dbraw/zinc/01/06/59/367010659.db2.gz UVPDPNSORCMKSF-CYBMUJFWSA-N 1 0 272.458 2.366 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000160510217 367012254 /nfs/dbraw/zinc/01/22/54/367012254.db2.gz VVXPFOPEKWQWJJ-MRXNPFEDSA-N 1 0 278.396 2.335 10 70 CEIERO CCC[C@H](C(=O)NCCc1cccs1)[NH+](C)C ZINC000161255495 367072616 /nfs/dbraw/zinc/07/26/16/367072616.db2.gz MXWBNVFPVSOUHK-GFCCVEGCSA-N 1 0 254.399 2.137 10 70 CEIERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000161290943 367076177 /nfs/dbraw/zinc/07/61/77/367076177.db2.gz DGOHTUAGXWUJFM-AWEZNQCLSA-N 1 0 292.427 2.120 10 70 CEIERO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCCCCC1 ZINC000160677901 367026901 /nfs/dbraw/zinc/02/69/01/367026901.db2.gz JZWGSIVYWUZFQH-CQSZACIVSA-N 1 0 265.401 2.153 10 70 CEIERO C[NH2+]C[C@@H]1CCCN1c1ccncc1Br ZINC000159925089 162320157 /nfs/dbraw/zinc/32/01/57/162320157.db2.gz BJXWJKIXCLUAOQ-VIFPVBQESA-N 1 0 270.174 2.032 10 70 CEIERO C[C@]1(c2ccc(F)cn2)CNC(=[NH2+])N1Cc1ccccc1 ZINC000161423867 344464442 /nfs/dbraw/zinc/46/44/42/344464442.db2.gz CCDZVVDJWJUYCW-MRXNPFEDSA-N 1 0 284.338 2.266 10 70 CEIERO CCC[C@@H](C(=O)N(C)Cc1ccc(C)o1)[NH+](C)C ZINC000161221507 283459906 /nfs/dbraw/zinc/45/99/06/283459906.db2.gz YYHCGDXPGJHBRS-ZDUSSCGKSA-N 1 0 252.358 2.277 10 70 CEIERO O[C@@H](C[C@H]1CCC[N@@H+]1CCn1ccnc1)c1ccccc1 ZINC000159861440 366954413 /nfs/dbraw/zinc/95/44/13/366954413.db2.gz HJTRRVUUTGCMLI-SJORKVTESA-N 1 0 285.391 2.471 10 70 CEIERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000160865370 367039610 /nfs/dbraw/zinc/03/96/10/367039610.db2.gz PQYGZNRDQPHNKN-CWRNSKLLSA-N 1 0 292.423 2.250 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)[NH+](C)C ZINC000161152034 367062745 /nfs/dbraw/zinc/06/27/45/367062745.db2.gz ANLILSWHAVWIPK-CYBMUJFWSA-N 1 0 278.352 2.142 10 70 CEIERO CCC[C@H](C(=O)N(C)CCOc1ccccc1)[NH+](C)C ZINC000161213470 367068113 /nfs/dbraw/zinc/06/81/13/367068113.db2.gz OSCNRQXBAABANF-OAHLLOKOSA-N 1 0 278.396 2.254 10 70 CEIERO CCC[C@@H](C(=O)N(C)CCOc1ccccc1F)[NH+](C)C ZINC000161333117 367078128 /nfs/dbraw/zinc/07/81/28/367078128.db2.gz JWYQAZPFIGYQLC-AWEZNQCLSA-N 1 0 296.386 2.393 10 70 CEIERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccncc2Br)C1 ZINC000159927228 278314424 /nfs/dbraw/zinc/31/44/24/278314424.db2.gz JTTWERVTKQMHAA-RKDXNWHRSA-N 1 0 270.174 2.018 10 70 CEIERO CCn1cc(C2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000160458843 523357152 /nfs/dbraw/zinc/35/71/52/523357152.db2.gz PZUDQYWAIGLZPD-OAHLLOKOSA-N 1 0 263.385 2.261 10 70 CEIERO CCC[C@H](C(=O)NCc1ccn(C2CCCC2)n1)[NH+](C)C ZINC000160616665 367022533 /nfs/dbraw/zinc/02/25/33/367022533.db2.gz TVMQRZQLJZJVDJ-OAHLLOKOSA-N 1 0 292.427 2.345 10 70 CEIERO O[C@H](C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000217024376 370192114 /nfs/dbraw/zinc/19/21/14/370192114.db2.gz AWVXIRYCMVPHQK-BZUAXINKSA-N 1 0 261.365 2.363 10 70 CEIERO CC(C)OCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160599575 395061702 /nfs/dbraw/zinc/06/17/02/395061702.db2.gz MWQUROVMKGXWNC-HUUCEWRRSA-N 1 0 255.402 2.429 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000161075599 523663494 /nfs/dbraw/zinc/66/34/94/523663494.db2.gz OQXLTHMAHHHLQI-MRXNPFEDSA-N 1 0 288.395 2.070 10 70 CEIERO CCC(CC)CNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000160560954 344459331 /nfs/dbraw/zinc/45/93/31/344459331.db2.gz LNZSUAPEWQJSAE-HNNXBMFYSA-N 1 0 299.459 2.175 10 70 CEIERO CCC[C@H]1CN(C(=O)N[C@@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000159723457 366943146 /nfs/dbraw/zinc/94/31/46/366943146.db2.gz HPZUGMKATXBQPA-GJZGRUSLSA-N 1 0 299.459 2.173 10 70 CEIERO CCOC(=O)c1ccc(NCc2ccc(C[NH3+])cc2)nc1 ZINC000159600005 366931440 /nfs/dbraw/zinc/93/14/40/366931440.db2.gz VSSSDTWISJGPEE-UHFFFAOYSA-N 1 0 285.347 2.329 10 70 CEIERO CC(C)COc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160230793 366985271 /nfs/dbraw/zinc/98/52/71/366985271.db2.gz BMKZJGLAOXQWGB-CQSZACIVSA-N 1 0 276.380 2.285 10 70 CEIERO CC(C)COc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160230940 366986189 /nfs/dbraw/zinc/98/61/89/366986189.db2.gz BMKZJGLAOXQWGB-AWEZNQCLSA-N 1 0 276.380 2.285 10 70 CEIERO C[C@H]1OCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160592028 367020993 /nfs/dbraw/zinc/02/09/93/367020993.db2.gz DJFBXFRDAGJMSP-LDYMZIIASA-N 1 0 271.158 2.111 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCC1 ZINC000160559024 367016531 /nfs/dbraw/zinc/01/65/31/367016531.db2.gz TYGSCPGBEYAGNJ-CQSZACIVSA-N 1 0 252.402 2.413 10 70 CEIERO CCC[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C ZINC000161192479 367067117 /nfs/dbraw/zinc/06/71/17/367067117.db2.gz VNFVUGQCSUIPNU-AWEZNQCLSA-N 1 0 266.360 2.215 10 70 CEIERO CC(=O)c1csc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000161390876 518489525 /nfs/dbraw/zinc/48/95/25/518489525.db2.gz RGQAEYCMBJUEAD-GWCFXTLKSA-N 1 0 294.420 2.409 10 70 CEIERO CCOC(=O)CC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160637873 520676783 /nfs/dbraw/zinc/67/67/83/520676783.db2.gz CLCCLXRPKUYHPD-UHFFFAOYSA-N 1 0 279.384 2.036 10 70 CEIERO COC(C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1)OC ZINC000160784120 522534612 /nfs/dbraw/zinc/53/46/12/522534612.db2.gz BNDFRFKHWJULEE-NSHDSACASA-N 1 0 270.398 2.250 10 70 CEIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000217669125 539227139 /nfs/dbraw/zinc/22/71/39/539227139.db2.gz JACNPJXMUGDJQY-CYZMBNFOSA-N 1 0 263.337 2.369 10 70 CEIERO CCOC(=O)c1cccnc1NCc1ccc(C[NH3+])cc1 ZINC000159595663 344455603 /nfs/dbraw/zinc/45/56/03/344455603.db2.gz VRSAHZIDKLMCBP-UHFFFAOYSA-N 1 0 285.347 2.329 10 70 CEIERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159734906 366944757 /nfs/dbraw/zinc/94/47/57/366944757.db2.gz SAGIBXNUUMSTFX-CQSZACIVSA-N 1 0 279.428 2.350 10 70 CEIERO COc1ccc([C@H](C)CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160299349 366992311 /nfs/dbraw/zinc/99/23/11/366992311.db2.gz YZGKGUKWOSUJHV-OCCSQVGLSA-N 1 0 276.380 2.139 10 70 CEIERO CCC[C@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C ZINC000161193146 367067190 /nfs/dbraw/zinc/06/71/90/367067190.db2.gz ZBNIMWVDGQMKLJ-CYBMUJFWSA-N 1 0 252.333 2.172 10 70 CEIERO Cc1c2c(sc1NC(=O)[C@H]1CC[NH2+]C1)CCCC2 ZINC000160988953 280260278 /nfs/dbraw/zinc/26/02/78/280260278.db2.gz CGONCBBVDNKIDJ-JTQLQIEISA-N 1 0 264.394 2.483 10 70 CEIERO COc1ccc([C@@H](C)CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160299195 295204584 /nfs/dbraw/zinc/20/45/84/295204584.db2.gz YZGKGUKWOSUJHV-JSGCOSHPSA-N 1 0 276.380 2.139 10 70 CEIERO C[C@@]1(c2ccc(F)cn2)CNC(=[NH2+])N1Cc1ccccc1 ZINC000161424007 344464144 /nfs/dbraw/zinc/46/41/44/344464144.db2.gz CCDZVVDJWJUYCW-INIZCTEOSA-N 1 0 284.338 2.266 10 70 CEIERO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000159465198 366916113 /nfs/dbraw/zinc/91/61/13/366916113.db2.gz PXRKCRYFWGGQDM-INIZCTEOSA-N 1 0 298.390 2.496 10 70 CEIERO O[C@@H](C[C@@H]1CCC[N@@H+]1CCn1ccnc1)c1ccccc1 ZINC000159861142 366955116 /nfs/dbraw/zinc/95/51/16/366955116.db2.gz HJTRRVUUTGCMLI-IRXDYDNUSA-N 1 0 285.391 2.471 10 70 CEIERO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@](C)(O)CC ZINC000160506863 367012321 /nfs/dbraw/zinc/01/23/21/367012321.db2.gz URPVBLMAJHOZIF-INIZCTEOSA-N 1 0 294.395 2.117 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C ZINC000161148853 367062401 /nfs/dbraw/zinc/06/24/01/367062401.db2.gz JDJRLSFKCQNDEY-CYBMUJFWSA-N 1 0 250.342 2.364 10 70 CEIERO O[C@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159727572 285364265 /nfs/dbraw/zinc/36/42/65/285364265.db2.gz AECVINJRCXYWIY-KBPBESRZSA-N 1 0 294.782 2.290 10 70 CEIERO [NH3+]C[C@H]1CCCN(c2ccncc2Br)C1 ZINC000159795536 162316713 /nfs/dbraw/zinc/31/67/13/162316713.db2.gz OKHDNLQKPYUQJR-SECBINFHSA-N 1 0 270.174 2.019 10 70 CEIERO Brc1cnccc1NC[C@H]1CCC[NH2+]C1 ZINC000159891514 162318696 /nfs/dbraw/zinc/31/86/96/162318696.db2.gz FFWKGCYOPAAJQD-VIFPVBQESA-N 1 0 270.174 2.256 10 70 CEIERO Cc1cccc([C@@H]2CCCN2Cc2nnnn2C(C)C)n1 ZINC000160051809 162321681 /nfs/dbraw/zinc/32/16/81/162321681.db2.gz IZIYAVDTMJNXAZ-AWEZNQCLSA-N 1 0 286.383 2.295 10 70 CEIERO COC(C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC000160783994 522533175 /nfs/dbraw/zinc/53/31/75/522533175.db2.gz BNDFRFKHWJULEE-LLVKDONJSA-N 1 0 270.398 2.250 10 70 CEIERO Cc1cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(C)c1O ZINC000217749483 540168863 /nfs/dbraw/zinc/16/88/63/540168863.db2.gz WWDXXOAGLXFMIQ-HIFRSBDPSA-N 1 0 262.397 2.391 10 70 CEIERO CCC[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000159723313 366943344 /nfs/dbraw/zinc/94/33/44/366943344.db2.gz HPZUGMKATXBQPA-LSDHHAIUSA-N 1 0 299.459 2.173 10 70 CEIERO C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1O ZINC000159439476 366913474 /nfs/dbraw/zinc/91/34/74/366913474.db2.gz GQGXIPRZHNEQHE-LRDDRELGSA-N 1 0 256.349 2.438 10 70 CEIERO Cc1ccc(CCCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160346919 366998143 /nfs/dbraw/zinc/99/81/43/366998143.db2.gz HVKIYJQRJNZKGH-OAHLLOKOSA-N 1 0 260.381 2.267 10 70 CEIERO CC[C@H](SC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160545164 367015676 /nfs/dbraw/zinc/01/56/76/367015676.db2.gz VRIPNFWDWUGKSK-OLZOCXBDSA-N 1 0 272.458 2.365 10 70 CEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161281581 367074699 /nfs/dbraw/zinc/07/46/99/367074699.db2.gz UAGWFZLGBIXSFT-RISCZKNCSA-N 1 0 286.379 2.021 10 70 CEIERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccncc1Br ZINC000159911365 162319320 /nfs/dbraw/zinc/31/93/20/162319320.db2.gz QHGSPJKACRFGNP-WPRPVWTQSA-N 1 0 270.174 2.383 10 70 CEIERO CC[C@@](C)(O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000161453990 523664008 /nfs/dbraw/zinc/66/40/08/523664008.db2.gz QGWSJKNYMNEMQG-JKSUJKDBSA-N 1 0 285.428 2.198 10 70 CEIERO CC[C@@H](C)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160298196 366992618 /nfs/dbraw/zinc/99/26/18/366992618.db2.gz STHVMSKPGTYDJF-ZIAGYGMSSA-N 1 0 290.473 2.072 10 70 CEIERO CCc1ncnc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000160466815 367008266 /nfs/dbraw/zinc/00/82/66/367008266.db2.gz IJWRXIMTCPHWRU-CMPLNLGQSA-N 1 0 266.364 2.319 10 70 CEIERO CC(=O)c1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161167523 367063711 /nfs/dbraw/zinc/06/37/11/367063711.db2.gz GCWLPEUSCCXNBU-LRDDRELGSA-N 1 0 288.391 2.348 10 70 CEIERO CCC[C@H](C(=O)N1CCc2sccc2C1)[NH+](C)C ZINC000161363843 367081615 /nfs/dbraw/zinc/08/16/15/367081615.db2.gz IEEVJHOTBMBKFS-GFCCVEGCSA-N 1 0 266.410 2.363 10 70 CEIERO CCC[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000161269254 276268552 /nfs/dbraw/zinc/26/85/52/276268552.db2.gz FXTXHYFUVNNFJS-ZDUSSCGKSA-N 1 0 292.379 2.104 10 70 CEIERO CCCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161190710 520082733 /nfs/dbraw/zinc/08/27/33/520082733.db2.gz YZIJKYLYZVAWOM-WBVHZDCISA-N 1 0 296.455 2.310 10 70 CEIERO OCC[C@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000159711009 366941231 /nfs/dbraw/zinc/94/12/31/366941231.db2.gz BUACVKQZCFIDKR-CQSZACIVSA-N 1 0 259.353 2.300 10 70 CEIERO CCC[C@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C ZINC000161133928 367061059 /nfs/dbraw/zinc/06/10/59/367061059.db2.gz AXGFRAVVCHJGKG-OAHLLOKOSA-N 1 0 260.381 2.302 10 70 CEIERO CCC[C@@H](C(=O)NCc1cccc(F)c1)[NH+](C)C ZINC000161476551 367089492 /nfs/dbraw/zinc/08/94/92/367089492.db2.gz NNIZHMSUCOSJMJ-ZDUSSCGKSA-N 1 0 252.333 2.172 10 70 CEIERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC1CCCC1 ZINC000161040734 395062630 /nfs/dbraw/zinc/06/26/30/395062630.db2.gz HMZLXQPUWUHTQH-RHSMWYFYSA-N 1 0 294.439 2.062 10 70 CEIERO CC[C@](C)(O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000161454112 523491328 /nfs/dbraw/zinc/49/13/28/523491328.db2.gz QGWSJKNYMNEMQG-CVEARBPZSA-N 1 0 285.428 2.198 10 70 CEIERO Cn1cc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cn1 ZINC000161141844 527301655 /nfs/dbraw/zinc/30/16/55/527301655.db2.gz GUNTXSXBLYQAQC-OAHLLOKOSA-N 1 0 276.428 2.085 10 70 CEIERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[C@@H](O)C3)c(C)n2n1 ZINC000217622840 539226857 /nfs/dbraw/zinc/22/68/57/539226857.db2.gz RSYUSMFWWSSQSA-FPMFFAJLSA-N 1 0 288.395 2.300 10 70 CEIERO Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160209160 188460438 /nfs/dbraw/zinc/46/04/38/188460438.db2.gz WSKJOPQOCVAASK-OAHLLOKOSA-N 1 0 290.407 2.494 10 70 CEIERO COc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000160327671 188466652 /nfs/dbraw/zinc/46/66/52/188466652.db2.gz CBSGMTHFJXYSPF-UWVGGRQHSA-N 1 0 266.316 2.290 10 70 CEIERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160865498 367039595 /nfs/dbraw/zinc/03/95/95/367039595.db2.gz WGLHNBVYTKMNDZ-HOTGVXAUSA-N 1 0 290.407 2.019 10 70 CEIERO O[C@]12CCCC[C@H]1C[N@H+](CCOCC1CC1)CC2 ZINC000161079993 367054721 /nfs/dbraw/zinc/05/47/21/367054721.db2.gz MYPDPTJYIIAZGE-GJZGRUSLSA-N 1 0 253.386 2.040 10 70 CEIERO OCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161096173 367056649 /nfs/dbraw/zinc/05/66/49/367056649.db2.gz DPVWQQZBGWWWFZ-OLZOCXBDSA-N 1 0 289.297 2.196 10 70 CEIERO CCC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)[NH+](C)C ZINC000161176293 367065236 /nfs/dbraw/zinc/06/52/36/367065236.db2.gz VYEUYHBEFWJALQ-AWEZNQCLSA-N 1 0 280.368 2.373 10 70 CEIERO CCC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)[NH+](C)C ZINC000161210831 367068340 /nfs/dbraw/zinc/06/83/40/367068340.db2.gz LMLJPTHAZDAXOH-CYBMUJFWSA-N 1 0 278.352 2.142 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000161434129 367086335 /nfs/dbraw/zinc/08/63/35/367086335.db2.gz VJJVFUCZDUCFNS-KBXCAEBGSA-N 1 0 269.410 2.017 10 70 CEIERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000160121121 297433491 /nfs/dbraw/zinc/43/34/91/297433491.db2.gz WZJHENPAEOHIBE-IUODEOHRSA-N 1 0 276.380 2.046 10 70 CEIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000160405119 524688986 /nfs/dbraw/zinc/68/89/86/524688986.db2.gz VDJRZHAWDWNGIQ-UONOGXRCSA-N 1 0 270.380 2.003 10 70 CEIERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160592151 367020433 /nfs/dbraw/zinc/02/04/33/367020433.db2.gz DJFBXFRDAGJMSP-GZMMTYOYSA-N 1 0 271.158 2.111 10 70 CEIERO Nc1cc[nH+]cc1C(=O)NCc1cccc2cccnc21 ZINC000159712131 162314168 /nfs/dbraw/zinc/31/41/68/162314168.db2.gz XCPWJUNKSJTFDQ-UHFFFAOYSA-N 1 0 278.315 2.142 10 70 CEIERO [NH3+]C1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000160260597 295202395 /nfs/dbraw/zinc/20/23/95/295202395.db2.gz MGFJJGXSPVKOGH-CHWSQXEVSA-N 1 0 250.386 2.297 10 70 CEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000161352393 232254438 /nfs/dbraw/zinc/25/44/38/232254438.db2.gz KJLQOEUZBBAPTG-LBPRGKRZSA-N 1 0 291.424 2.443 10 70 CEIERO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000159711161 366941803 /nfs/dbraw/zinc/94/18/03/366941803.db2.gz BUACVKQZCFIDKR-AWEZNQCLSA-N 1 0 259.353 2.300 10 70 CEIERO CS[C@@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000159644363 366935201 /nfs/dbraw/zinc/93/52/01/366935201.db2.gz RMLSHBGGQDMXBO-NWDGAFQWSA-N 1 0 275.462 2.013 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000160310898 366992913 /nfs/dbraw/zinc/99/29/13/366992913.db2.gz VDMBECLTXQJJSV-CQSZACIVSA-N 1 0 296.436 2.085 10 70 CEIERO COc1cccc([C@@H](CNC(=O)OC(C)C)[NH+](C)C)c1 ZINC000160318180 366995413 /nfs/dbraw/zinc/99/54/13/366995413.db2.gz JCEPUDPQIMCMSI-CQSZACIVSA-N 1 0 280.368 2.433 10 70 CEIERO OCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161095924 367056661 /nfs/dbraw/zinc/05/66/61/367056661.db2.gz DPVWQQZBGWWWFZ-STQMWFEESA-N 1 0 289.297 2.196 10 70 CEIERO OCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161096042 367056716 /nfs/dbraw/zinc/05/67/16/367056716.db2.gz DPVWQQZBGWWWFZ-QWHCGFSZSA-N 1 0 289.297 2.196 10 70 CEIERO CCC[C@@H](C(=O)N(C)CCOc1ccccc1)[NH+](C)C ZINC000161213344 367068093 /nfs/dbraw/zinc/06/80/93/367068093.db2.gz OSCNRQXBAABANF-HNNXBMFYSA-N 1 0 278.396 2.254 10 70 CEIERO CCC[C@H](C(=O)Nc1ccc(F)c(NC(C)=O)c1)[NH+](C)C ZINC000161406217 367083988 /nfs/dbraw/zinc/08/39/88/367083988.db2.gz HBEXQRKXPDNIAH-CQSZACIVSA-N 1 0 295.358 2.453 10 70 CEIERO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161087689 395063466 /nfs/dbraw/zinc/06/34/66/395063466.db2.gz VLVHVMIRTOEZQO-RHSMWYFYSA-N 1 0 296.455 2.166 10 70 CEIERO CCC[C@H](C(=O)N(C)Cc1ccc(C)o1)[NH+](C)C ZINC000161221631 276281100 /nfs/dbraw/zinc/28/11/00/276281100.db2.gz YYHCGDXPGJHBRS-CYBMUJFWSA-N 1 0 252.358 2.277 10 70 CEIERO CCC(CC)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000160550591 521530275 /nfs/dbraw/zinc/53/02/75/521530275.db2.gz MYNYLEBGZFBEIV-GXTWGEPZSA-N 1 0 267.417 2.301 10 70 CEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000161352273 232254003 /nfs/dbraw/zinc/25/40/03/232254003.db2.gz KJLQOEUZBBAPTG-GFCCVEGCSA-N 1 0 291.424 2.443 10 70 CEIERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160865650 188495489 /nfs/dbraw/zinc/49/54/89/188495489.db2.gz WGLHNBVYTKMNDZ-JKSUJKDBSA-N 1 0 290.407 2.019 10 70 CEIERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159734751 366945290 /nfs/dbraw/zinc/94/52/90/366945290.db2.gz SAGIBXNUUMSTFX-AWEZNQCLSA-N 1 0 279.428 2.350 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000160516815 367011928 /nfs/dbraw/zinc/01/19/28/367011928.db2.gz CKWSVZJGBPQWJV-OAHLLOKOSA-N 1 0 296.436 2.440 10 70 CEIERO CCC[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000161142165 367060975 /nfs/dbraw/zinc/06/09/75/367060975.db2.gz YVZVVAJAXLHOKO-MRXNPFEDSA-N 1 0 289.423 2.066 10 70 CEIERO CCC[C@H](C(=O)NCCCc1ccccc1)[NH+](C)C ZINC000161185166 367065327 /nfs/dbraw/zinc/06/53/27/367065327.db2.gz LOPKZAVUTCOJKM-OAHLLOKOSA-N 1 0 262.397 2.466 10 70 CEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(Cl)n2)[C@@H](C)C1 ZINC000161252571 367071952 /nfs/dbraw/zinc/07/19/52/367071952.db2.gz PPIHKPKMXWKBPT-JQWIXIFHSA-N 1 0 281.787 2.194 10 70 CEIERO CCC[C@@H](C(=O)NCCOc1cccc(C)c1)[NH+](C)C ZINC000161265867 367073255 /nfs/dbraw/zinc/07/32/55/367073255.db2.gz VUSIXAOPXKHXSM-HNNXBMFYSA-N 1 0 278.396 2.220 10 70 CEIERO CCC[C@@]1(C)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160934255 276280250 /nfs/dbraw/zinc/28/02/50/276280250.db2.gz XUUJIZOTAOUBEW-ZFWWWQNUSA-N 1 0 252.402 2.415 10 70 CEIERO CC(=O)c1csc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000161390740 518490434 /nfs/dbraw/zinc/49/04/34/518490434.db2.gz RGQAEYCMBJUEAD-MFKMUULPSA-N 1 0 294.420 2.409 10 70 CEIERO CCC[C@@H](NC(=O)C[N@H+](CC)C1CC1)C(=O)OC(C)(C)C ZINC000161487185 520732879 /nfs/dbraw/zinc/73/28/79/520732879.db2.gz MAUOOKHDMIUAKH-CYBMUJFWSA-N 1 0 298.427 2.097 10 70 CEIERO CCC[C@@H](C(=O)Nc1ccc(O)c(C)c1)[NH+](C)C ZINC000160671628 367025265 /nfs/dbraw/zinc/02/52/65/367025265.db2.gz WNNHTZICSHAVHG-LBPRGKRZSA-N 1 0 250.342 2.369 10 70 CEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCCO1 ZINC000160400545 367002760 /nfs/dbraw/zinc/00/27/60/367002760.db2.gz SNVZMMWLVWBGMT-HUUCEWRRSA-N 1 0 282.428 2.182 10 70 CEIERO COC(=O)c1ccc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc1C ZINC000160466210 367007608 /nfs/dbraw/zinc/00/76/08/367007608.db2.gz VQZVTBKBAPIMPD-SMDDNHRTSA-N 1 0 291.395 2.317 10 70 CEIERO CCC[C@H](C(=O)NCc1ccc(C)c(F)c1)[NH+](C)C ZINC000161345693 367080044 /nfs/dbraw/zinc/08/00/44/367080044.db2.gz CDIWLGOMZWOLSO-CQSZACIVSA-N 1 0 266.360 2.481 10 70 CEIERO CC[C@@](C)(O)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161086281 367054464 /nfs/dbraw/zinc/05/44/64/367054464.db2.gz INOZQXFBZIBPOM-GDBMZVCRSA-N 1 0 294.370 2.024 10 70 CEIERO CS[C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000161174598 367063285 /nfs/dbraw/zinc/06/32/85/367063285.db2.gz GOUUIZWEYSPQKL-NWDGAFQWSA-N 1 0 260.447 2.221 10 70 CEIERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000160120992 297433800 /nfs/dbraw/zinc/43/38/00/297433800.db2.gz WZJHENPAEOHIBE-SWLSCSKDSA-N 1 0 276.380 2.046 10 70 CEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000161414401 523598893 /nfs/dbraw/zinc/59/88/93/523598893.db2.gz CBRJUPWQTPUHES-OAHLLOKOSA-N 1 0 285.395 2.115 10 70 CEIERO O[C@H](C[C@@H]1CCC[N@@H+]1CCn1ccnc1)c1ccccc1 ZINC000159861007 366954652 /nfs/dbraw/zinc/95/46/52/366954652.db2.gz HJTRRVUUTGCMLI-DLBZAZTESA-N 1 0 285.391 2.471 10 70 CEIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000160516690 367011584 /nfs/dbraw/zinc/01/15/84/367011584.db2.gz CKWSVZJGBPQWJV-HNNXBMFYSA-N 1 0 296.436 2.440 10 70 CEIERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000160863655 367039156 /nfs/dbraw/zinc/03/91/56/367039156.db2.gz AKPHQZFCBOXODD-HUUCEWRRSA-N 1 0 292.423 2.250 10 70 CEIERO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@](C)(O)CC ZINC000160890246 367041385 /nfs/dbraw/zinc/04/13/85/367041385.db2.gz XWTZBBZWHLVKHN-KRWDZBQOSA-N 1 0 292.423 2.371 10 70 CEIERO CCC[C@H](C(=O)NCCOc1cccc(C)c1)[NH+](C)C ZINC000161265988 367073644 /nfs/dbraw/zinc/07/36/44/367073644.db2.gz VUSIXAOPXKHXSM-OAHLLOKOSA-N 1 0 278.396 2.220 10 70 CEIERO C[C@H]([NH3+])[C@H]1CCN(c2ccncc2Br)C1 ZINC000159927364 279421830 /nfs/dbraw/zinc/42/18/30/279421830.db2.gz JTTWERVTKQMHAA-IUCAKERBSA-N 1 0 270.174 2.018 10 70 CEIERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000159603468 281356552 /nfs/dbraw/zinc/35/65/52/281356552.db2.gz PLHRMBXMANEEMG-OLZOCXBDSA-N 1 0 256.353 2.252 10 70 CEIERO [NH3+]C1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CCCCC1 ZINC000160260735 295202381 /nfs/dbraw/zinc/20/23/81/295202381.db2.gz MGFJJGXSPVKOGH-STQMWFEESA-N 1 0 250.386 2.297 10 70 CEIERO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161190589 520083198 /nfs/dbraw/zinc/08/31/98/520083198.db2.gz YZIJKYLYZVAWOM-NVXWUHKLSA-N 1 0 296.455 2.310 10 70 CEIERO