smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310760 539989214 /nfs/dbraw/zinc/98/92/14/539989214.db2.gz CCJDMKOGRUOSJM-SFHVURJKSA-N 1 1 362.518 2.071 10 30 FEEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150786371 544471828 /nfs/dbraw/zinc/47/18/28/544471828.db2.gz WLPQWPCMYWPMHI-YOEHRIQHSA-N 1 1 372.469 2.129 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938482 328347640 /nfs/dbraw/zinc/34/76/40/328347640.db2.gz ZOGWWUCHKPHQGE-GOSISDBHSA-N 1 1 370.478 2.096 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000177662331 327536340 /nfs/dbraw/zinc/53/63/40/327536340.db2.gz FUBGWKFUEUQLTQ-INIZCTEOSA-N 1 1 351.410 2.119 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000171527921 546212474 /nfs/dbraw/zinc/21/24/74/546212474.db2.gz AHCYZPJQVGKZON-LJQANCHMSA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000171527921 546212477 /nfs/dbraw/zinc/21/24/77/546212477.db2.gz AHCYZPJQVGKZON-LJQANCHMSA-N 1 1 366.469 2.479 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000176010054 546390144 /nfs/dbraw/zinc/39/01/44/546390144.db2.gz POICBDXHNBQFTO-HNNXBMFYSA-N 1 1 369.400 2.258 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182751732 547546285 /nfs/dbraw/zinc/54/62/85/547546285.db2.gz APVWAKUKFWKAPS-FXAWDEMLSA-N 1 1 370.497 2.096 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182751732 547546287 /nfs/dbraw/zinc/54/62/87/547546287.db2.gz APVWAKUKFWKAPS-FXAWDEMLSA-N 1 1 370.497 2.096 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195056195 548570076 /nfs/dbraw/zinc/57/00/76/548570076.db2.gz NOJCDFNMEATPDZ-KRWDZBQOSA-N 1 1 357.454 2.423 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246515451 549151000 /nfs/dbraw/zinc/15/10/00/549151000.db2.gz TVJTYRUZFOAZCF-CRAIPNDOSA-N 1 1 359.470 2.425 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109362 549553624 /nfs/dbraw/zinc/55/36/24/549553624.db2.gz AKTFYSFESOYKRP-OAGGEKHMSA-N 1 1 370.453 2.001 10 30 FEEEMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1N1CCOCC1 ZINC000249123140 549556459 /nfs/dbraw/zinc/55/64/59/549556459.db2.gz XCQGCYFIFDIORX-SUMWQHHRSA-N 1 1 364.287 2.473 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1N1CCOCC1 ZINC000249123140 549556462 /nfs/dbraw/zinc/55/64/62/549556462.db2.gz XCQGCYFIFDIORX-SUMWQHHRSA-N 1 1 364.287 2.473 10 30 FEEEMO C#CCCCCNC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192261239 672687178 /nfs/dbraw/zinc/68/71/78/672687178.db2.gz PDFFJQIKSLKSKR-UHFFFAOYSA-N 1 1 351.491 2.237 10 30 FEEEMO C#CCCCCNC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192261239 672687183 /nfs/dbraw/zinc/68/71/83/672687183.db2.gz PDFFJQIKSLKSKR-UHFFFAOYSA-N 1 1 351.491 2.237 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000103477896 543111058 /nfs/dbraw/zinc/11/10/58/543111058.db2.gz FUKBZQTYZWYENV-HOCLYGCPSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000103477896 543111061 /nfs/dbraw/zinc/11/10/61/543111061.db2.gz FUKBZQTYZWYENV-HOCLYGCPSA-N 1 1 352.442 2.376 10 30 FEEEMO Cc1nn(C)c(C)c1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000106142110 543207624 /nfs/dbraw/zinc/20/76/24/543207624.db2.gz JVVUCZNBMUCYAA-UHFFFAOYSA-N 1 1 353.470 2.105 10 30 FEEEMO N#Cc1cc(F)ccc1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000106204311 543218009 /nfs/dbraw/zinc/21/80/09/543218009.db2.gz BEHPADFXPWAWLU-FQEVSTJZSA-N 1 1 369.440 2.255 10 30 FEEEMO C=CCOc1ccccc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109657192 543332517 /nfs/dbraw/zinc/33/25/17/543332517.db2.gz RVDXWPRRCULWFC-UHFFFAOYSA-N 1 1 354.454 2.333 10 30 FEEEMO C=CCOc1ccccc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109657192 543332519 /nfs/dbraw/zinc/33/25/19/543332519.db2.gz RVDXWPRRCULWFC-UHFFFAOYSA-N 1 1 354.454 2.333 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C ZINC000117280691 543626341 /nfs/dbraw/zinc/62/63/41/543626341.db2.gz CPDZKJNTKPEJAG-MRXNPFEDSA-N 1 1 361.511 2.361 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C ZINC000117280691 543626344 /nfs/dbraw/zinc/62/63/44/543626344.db2.gz CPDZKJNTKPEJAG-MRXNPFEDSA-N 1 1 361.511 2.361 10 30 FEEEMO C=CCOc1ccc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000119830687 543672439 /nfs/dbraw/zinc/67/24/39/543672439.db2.gz LLQBMZNOWIANQZ-FQEVSTJZSA-N 1 1 366.461 2.400 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000150798893 544473452 /nfs/dbraw/zinc/47/34/52/544473452.db2.gz TVJTYRUZFOAZCF-QAPCUYQASA-N 1 1 359.470 2.425 10 30 FEEEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000181201241 327720599 /nfs/dbraw/zinc/72/05/99/327720599.db2.gz FNUGIMLWJRMVJK-CYBMUJFWSA-N 1 1 368.384 2.080 10 30 FEEEMO N#Cc1cccc(CNC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000117030883 326048456 /nfs/dbraw/zinc/04/84/56/326048456.db2.gz CNZAOMCDEIIIJI-FQEVSTJZSA-N 1 1 364.449 2.119 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062741 326123088 /nfs/dbraw/zinc/12/30/88/326123088.db2.gz OCGJAPNTJGDRKU-KRWDZBQOSA-N 1 1 372.469 2.227 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174600353 327337430 /nfs/dbraw/zinc/33/74/30/327337430.db2.gz KOLIBDCFUGIZSQ-CRAIPNDOSA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000174600353 327337431 /nfs/dbraw/zinc/33/74/31/327337431.db2.gz KOLIBDCFUGIZSQ-CRAIPNDOSA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000172271889 546244153 /nfs/dbraw/zinc/24/41/53/546244153.db2.gz NESMFBXRULMOPJ-IAGOWNOFSA-N 1 1 372.469 2.366 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173949361 546289036 /nfs/dbraw/zinc/28/90/36/546289036.db2.gz POBQXPXTHGWVBX-ICSRJNTNSA-N 1 1 370.497 2.037 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173949361 546289038 /nfs/dbraw/zinc/28/90/38/546289038.db2.gz POBQXPXTHGWVBX-ICSRJNTNSA-N 1 1 370.497 2.037 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175776051 546348262 /nfs/dbraw/zinc/34/82/62/546348262.db2.gz SLIYMUCYHGRWFW-SJLPKXTDSA-N 1 1 359.470 2.114 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC ZINC000177055050 546533181 /nfs/dbraw/zinc/53/31/81/546533181.db2.gz JWXMWCZIGJBBFK-OALUTQOASA-N 1 1 359.470 2.205 10 30 FEEEMO CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000177132074 546551316 /nfs/dbraw/zinc/55/13/16/546551316.db2.gz GSKDIQSHOFYSNM-HNNXBMFYSA-N 1 1 364.515 2.218 10 30 FEEEMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C ZINC000177154959 546557484 /nfs/dbraw/zinc/55/74/84/546557484.db2.gz HKODOUQCKPNSHB-AWEZNQCLSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C ZINC000177154959 546557486 /nfs/dbraw/zinc/55/74/86/546557486.db2.gz HKODOUQCKPNSHB-AWEZNQCLSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000245840159 549001796 /nfs/dbraw/zinc/00/17/96/549001796.db2.gz FUVKMAMRRYBNJB-ZBFHGGJFSA-N 1 1 359.474 2.364 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000245840159 549001801 /nfs/dbraw/zinc/00/18/01/549001801.db2.gz FUVKMAMRRYBNJB-ZBFHGGJFSA-N 1 1 359.474 2.364 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000246315431 549103541 /nfs/dbraw/zinc/10/35/41/549103541.db2.gz FFKMVRKGOLKVRG-CRAIPNDOSA-N 1 1 372.469 2.153 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000246721092 549195663 /nfs/dbraw/zinc/19/56/63/549195663.db2.gz LKDUAFQEENATBF-SJORKVTESA-N 1 1 359.470 2.021 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000249913809 549634554 /nfs/dbraw/zinc/63/45/54/549634554.db2.gz WYMZVBXFDMJNBG-CHWSQXEVSA-N 1 1 350.488 2.285 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000249913809 549634556 /nfs/dbraw/zinc/63/45/56/549634556.db2.gz WYMZVBXFDMJNBG-CHWSQXEVSA-N 1 1 350.488 2.285 10 30 FEEEMO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284811905 551639706 /nfs/dbraw/zinc/63/97/06/551639706.db2.gz IWMLSQZUTXHSJF-KBXCAEBGSA-N 1 1 351.458 2.418 10 30 FEEEMO C=CCn1c(C)nn(CN2CC[N@H+](CCOCC)[C@H](CC)C2)c1=S ZINC000152606530 672184860 /nfs/dbraw/zinc/18/48/60/672184860.db2.gz KWRAVIJXGGTJLG-MRXNPFEDSA-N 1 1 353.536 2.299 10 30 FEEEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C ZINC000106107846 543199284 /nfs/dbraw/zinc/19/92/84/543199284.db2.gz OWHQJVGPWYLABR-MOPGFXCFSA-N 1 1 372.513 2.283 10 30 FEEEMO COCC[N@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C ZINC000106107846 543199285 /nfs/dbraw/zinc/19/92/85/543199285.db2.gz OWHQJVGPWYLABR-MOPGFXCFSA-N 1 1 372.513 2.283 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117951 543202850 /nfs/dbraw/zinc/20/28/50/543202850.db2.gz DSXKPPVMNHENKF-FUHWJXTLSA-N 1 1 358.486 2.318 10 30 FEEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000150786350 544471865 /nfs/dbraw/zinc/47/18/65/544471865.db2.gz WLPQWPCMYWPMHI-PBHICJAKSA-N 1 1 372.469 2.129 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192275908 328310318 /nfs/dbraw/zinc/31/03/18/328310318.db2.gz UGWMLATTYCDPHY-OAHLLOKOSA-N 1 1 360.458 2.155 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192275908 328310320 /nfs/dbraw/zinc/31/03/20/328310320.db2.gz UGWMLATTYCDPHY-OAHLLOKOSA-N 1 1 360.458 2.155 10 30 FEEEMO N#Cc1cccc(CNC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000117030879 326048602 /nfs/dbraw/zinc/04/86/02/326048602.db2.gz CNZAOMCDEIIIJI-HXUWFJFHSA-N 1 1 364.449 2.119 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247555884 549356895 /nfs/dbraw/zinc/35/68/95/549356895.db2.gz FNVGGMBIQLZETB-QZTJIDSGSA-N 1 1 366.469 2.325 10 30 FEEEMO C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC000177756549 546681054 /nfs/dbraw/zinc/68/10/54/546681054.db2.gz CJVMXNSMJKWMQX-MOPGFXCFSA-N 1 1 360.498 2.334 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000177977783 546715689 /nfs/dbraw/zinc/71/56/89/546715689.db2.gz SIGHJGOZJYTARR-INIZCTEOSA-N 1 1 351.410 2.001 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000178517383 546805766 /nfs/dbraw/zinc/80/57/66/546805766.db2.gz IFOVDKVCHWVQNX-INIZCTEOSA-N 1 1 365.437 2.428 10 30 FEEEMO CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O ZINC000246045175 549040832 /nfs/dbraw/zinc/04/08/32/549040832.db2.gz XNYHMSDSCQMUBW-JXFKEZNVSA-N 1 1 367.497 2.236 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000246090614 549050381 /nfs/dbraw/zinc/05/03/81/549050381.db2.gz GGFBEKPYTJFDIA-WMZOPIPTSA-N 1 1 365.437 2.310 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000246090614 549050385 /nfs/dbraw/zinc/05/03/85/549050385.db2.gz GGFBEKPYTJFDIA-WMZOPIPTSA-N 1 1 365.437 2.310 10 30 FEEEMO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247146876 549290803 /nfs/dbraw/zinc/29/08/03/549290803.db2.gz TYWXXEIKUDUYCT-GJZGRUSLSA-N 1 1 372.494 2.183 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(OC)c1 ZINC000247153693 549291700 /nfs/dbraw/zinc/29/17/00/549291700.db2.gz KDIIZTHUSFGFKO-YTQUADARSA-N 1 1 360.498 2.332 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247246350 549306593 /nfs/dbraw/zinc/30/65/93/549306593.db2.gz YLMPZBFELIRVGT-IAGOWNOFSA-N 1 1 363.527 2.058 10 30 FEEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248415194 549432886 /nfs/dbraw/zinc/43/28/86/549432886.db2.gz NUJNBNYQJNUIHJ-BFYDXBDKSA-N 1 1 358.442 2.162 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000249127514 549557495 /nfs/dbraw/zinc/55/74/95/549557495.db2.gz CNSLONOXIJITCI-SJORKVTESA-N 1 1 357.454 2.275 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249153543 549561358 /nfs/dbraw/zinc/56/13/58/549561358.db2.gz HWBHOGYULCVBLP-RDJZCZTQSA-N 1 1 370.453 2.003 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000252353304 549664263 /nfs/dbraw/zinc/66/42/63/549664263.db2.gz WSLVYHVSQAMQTQ-HIFRSBDPSA-N 1 1 362.474 2.138 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000252353304 549664265 /nfs/dbraw/zinc/66/42/65/549664265.db2.gz WSLVYHVSQAMQTQ-HIFRSBDPSA-N 1 1 362.474 2.138 10 30 FEEEMO N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000301395310 553648688 /nfs/dbraw/zinc/64/86/88/553648688.db2.gz LKCFARQLOPIHGT-OAHLLOKOSA-N 1 1 362.499 2.415 10 30 FEEEMO Cc1ccncc1NC(=O)N1CCC[C@@H]([N@H+](C)Cc2nccc(N)n2)CC1 ZINC000328649870 553802421 /nfs/dbraw/zinc/80/24/21/553802421.db2.gz VHNLTSQDICIDEA-OAHLLOKOSA-N 1 1 369.473 2.294 10 30 FEEEMO Cc1ccncc1NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccc(N)n2)CC1 ZINC000328649870 553802424 /nfs/dbraw/zinc/80/24/24/553802424.db2.gz VHNLTSQDICIDEA-OAHLLOKOSA-N 1 1 369.473 2.294 10 30 FEEEMO Cc1ncc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000386500159 558606942 /nfs/dbraw/zinc/60/69/42/558606942.db2.gz YXSYNAWUARELBG-AWEZNQCLSA-N 1 1 358.467 2.061 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248142594 672854869 /nfs/dbraw/zinc/85/48/69/672854869.db2.gz YVOMSKFGCUYTSW-SWLSCSKDSA-N 1 1 351.834 2.193 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248142594 672854876 /nfs/dbraw/zinc/85/48/76/672854876.db2.gz YVOMSKFGCUYTSW-SWLSCSKDSA-N 1 1 351.834 2.193 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)cc1OC ZINC000117279936 543626764 /nfs/dbraw/zinc/62/67/64/543626764.db2.gz BVMYBYRRTMBKTG-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)cc1OC ZINC000117279936 543626768 /nfs/dbraw/zinc/62/67/68/543626768.db2.gz BVMYBYRRTMBKTG-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121066645 326310650 /nfs/dbraw/zinc/31/06/50/326310650.db2.gz QTIRAXRWEJIXQM-JXXFODFXSA-N 1 1 374.387 2.384 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121066645 326310652 /nfs/dbraw/zinc/31/06/52/326310652.db2.gz QTIRAXRWEJIXQM-JXXFODFXSA-N 1 1 374.387 2.384 10 30 FEEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)cn1 ZINC000171850047 327165160 /nfs/dbraw/zinc/16/51/60/327165160.db2.gz BXSDLVZDUCWWBD-UHFFFAOYSA-N 1 1 366.469 2.192 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)cn1 ZINC000171850047 327165161 /nfs/dbraw/zinc/16/51/61/327165161.db2.gz BXSDLVZDUCWWBD-UHFFFAOYSA-N 1 1 366.469 2.192 10 30 FEEEMO CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1CCOC ZINC000173679902 327275959 /nfs/dbraw/zinc/27/59/59/327275959.db2.gz YVLJYFKKOGOBIQ-QGZVFWFLSA-N 1 1 355.442 2.151 10 30 FEEEMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177684694 546666220 /nfs/dbraw/zinc/66/62/20/546666220.db2.gz OLCOIZWUIWVFGM-LSDHHAIUSA-N 1 1 372.494 2.326 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1 ZINC000181141702 547256208 /nfs/dbraw/zinc/25/62/08/547256208.db2.gz CRSSXGAJPKVETC-GUYCJALGSA-N 1 1 364.287 2.473 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245822019 548999070 /nfs/dbraw/zinc/99/90/70/548999070.db2.gz MHDMTFRQTMAKJB-SJLPKXTDSA-N 1 1 352.442 2.250 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245822019 548999072 /nfs/dbraw/zinc/99/90/72/548999072.db2.gz MHDMTFRQTMAKJB-SJLPKXTDSA-N 1 1 352.442 2.250 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247091725 549281556 /nfs/dbraw/zinc/28/15/56/549281556.db2.gz JCWBTCQKTVIEOL-CABCVRRESA-N 1 1 374.510 2.477 10 30 FEEEMO N#CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000311577960 553754958 /nfs/dbraw/zinc/75/49/58/553754958.db2.gz WHUJXOVQHNGGKI-GUDVDZBRSA-N 1 1 353.466 2.334 10 30 FEEEMO CC(C)n1cc([C@@]2(O)CC[N@@H+](CCCOc3cccc(C#N)c3)C2)nn1 ZINC000375343626 558012783 /nfs/dbraw/zinc/01/27/83/558012783.db2.gz XJXXFBPKVZHLHY-LJQANCHMSA-N 1 1 355.442 2.093 10 30 FEEEMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000025698549 539766412 /nfs/dbraw/zinc/76/64/12/539766412.db2.gz RQVDIPNKNBNULS-YADHBBJMSA-N 1 1 365.477 2.447 10 30 FEEEMO C#CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)cc1 ZINC000119218268 543665445 /nfs/dbraw/zinc/66/54/45/543665445.db2.gz HBFQHVHKIFJKJW-UHFFFAOYSA-N 1 1 366.465 2.263 10 30 FEEEMO C#CCOc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)cc1 ZINC000119218268 543665447 /nfs/dbraw/zinc/66/54/47/543665447.db2.gz HBFQHVHKIFJKJW-UHFFFAOYSA-N 1 1 366.465 2.263 10 30 FEEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cn1 ZINC000136738584 544378069 /nfs/dbraw/zinc/37/80/69/544378069.db2.gz YKZHLMXSBZHUNK-UHFFFAOYSA-N 1 1 352.442 2.226 10 30 FEEEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cn1 ZINC000136738584 544378072 /nfs/dbraw/zinc/37/80/72/544378072.db2.gz YKZHLMXSBZHUNK-UHFFFAOYSA-N 1 1 352.442 2.226 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938467 328347609 /nfs/dbraw/zinc/34/76/09/328347609.db2.gz ZOGWWUCHKPHQGE-SFHVURJKSA-N 1 1 370.478 2.096 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193415123 328373917 /nfs/dbraw/zinc/37/39/17/328373917.db2.gz OMRWEYZCTNGDOX-HZPDHXFCSA-N 1 1 371.485 2.138 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000177660317 327536069 /nfs/dbraw/zinc/53/60/69/327536069.db2.gz GSRDEWWERFLCGU-MRXNPFEDSA-N 1 1 365.437 2.428 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000171060705 546188734 /nfs/dbraw/zinc/18/87/34/546188734.db2.gz MBANAJYBDYJVJJ-QGZVFWFLSA-N 1 1 357.454 2.435 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000171060705 546188738 /nfs/dbraw/zinc/18/87/38/546188738.db2.gz MBANAJYBDYJVJJ-QGZVFWFLSA-N 1 1 357.454 2.435 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000171235820 546198917 /nfs/dbraw/zinc/19/89/17/546198917.db2.gz DZKPVVQKVMROFT-CQSZACIVSA-N 1 1 363.845 2.472 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000171235820 546198920 /nfs/dbraw/zinc/19/89/20/546198920.db2.gz DZKPVVQKVMROFT-CQSZACIVSA-N 1 1 363.845 2.472 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175776033 546348221 /nfs/dbraw/zinc/34/82/21/546348221.db2.gz SLIYMUCYHGRWFW-WMZOPIPTSA-N 1 1 359.470 2.114 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246211549 549079128 /nfs/dbraw/zinc/07/91/28/549079128.db2.gz ZJEHVRQRLMLGAR-ZWKOTPCHSA-N 1 1 352.438 2.127 10 30 FEEEMO C=C(Br)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190702046 672646698 /nfs/dbraw/zinc/64/66/98/672646698.db2.gz IBCDAZSOSCPSRG-OAHLLOKOSA-N 1 1 367.291 2.454 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000117454529 543632580 /nfs/dbraw/zinc/63/25/80/543632580.db2.gz ILZQBMBLEITGTK-LBPRGKRZSA-N 1 1 368.384 2.344 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000117454529 543632582 /nfs/dbraw/zinc/63/25/82/543632582.db2.gz ILZQBMBLEITGTK-LBPRGKRZSA-N 1 1 368.384 2.344 10 30 FEEEMO CC(C)(C)n1cc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000127446934 543993266 /nfs/dbraw/zinc/99/32/66/543993266.db2.gz HXUXTQZTPHEPGC-FQEVSTJZSA-N 1 1 367.497 2.361 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643549 544064567 /nfs/dbraw/zinc/06/45/67/544064567.db2.gz KJFSARRRYZDCFI-QGZVFWFLSA-N 1 1 372.494 2.428 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)cn1 ZINC000135053429 544332357 /nfs/dbraw/zinc/33/23/57/544332357.db2.gz VSDKZVSWGYYVCD-UHFFFAOYSA-N 1 1 353.470 2.491 10 30 FEEEMO CCn1cc(CN2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)CC2)cn1 ZINC000135053429 544332358 /nfs/dbraw/zinc/33/23/58/544332358.db2.gz VSDKZVSWGYYVCD-UHFFFAOYSA-N 1 1 353.470 2.491 10 30 FEEEMO CCn1cc(CN2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)CC2)cn1 ZINC000135053429 544332359 /nfs/dbraw/zinc/33/23/59/544332359.db2.gz VSDKZVSWGYYVCD-UHFFFAOYSA-N 1 1 353.470 2.491 10 30 FEEEMO COCC[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000191784849 328281558 /nfs/dbraw/zinc/28/15/58/328281558.db2.gz KSVIHVVYXHRZEN-CYBMUJFWSA-N 1 1 352.276 2.473 10 30 FEEEMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000191806300 328282959 /nfs/dbraw/zinc/28/29/59/328282959.db2.gz XCQGCYFIFDIORX-GUYCJALGSA-N 1 1 364.287 2.473 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000191806300 328282960 /nfs/dbraw/zinc/28/29/60/328282960.db2.gz XCQGCYFIFDIORX-GUYCJALGSA-N 1 1 364.287 2.473 10 30 FEEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000171643625 327150623 /nfs/dbraw/zinc/15/06/23/327150623.db2.gz HAKBXXHAAQTQSG-PKOBYXMFSA-N 1 1 361.449 2.493 10 30 FEEEMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171644067 327150795 /nfs/dbraw/zinc/15/07/95/327150795.db2.gz ZJEHVRQRLMLGAR-ROUUACIJSA-N 1 1 352.438 2.127 10 30 FEEEMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561792 549357892 /nfs/dbraw/zinc/35/78/92/549357892.db2.gz GDUZWOLIGDLEPW-ZWKOTPCHSA-N 1 1 354.454 2.394 10 30 FEEEMO O[C@H](COc1ccccc1)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159997365 545998530 /nfs/dbraw/zinc/99/85/30/545998530.db2.gz SNSWZZXNOIFRRV-NRFANRHFSA-N 1 1 368.452 2.235 10 30 FEEEMO N#Cc1ccc(OC2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000179578603 546980669 /nfs/dbraw/zinc/98/06/69/546980669.db2.gz LVDVTNRGQFQRNS-LXPRWKDFSA-N 1 1 369.469 2.133 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CC ZINC000247775272 549380314 /nfs/dbraw/zinc/38/03/14/549380314.db2.gz QKEFCXYKZKCHDH-QUCCMNQESA-N 1 1 370.497 2.096 10 30 FEEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248415197 549432977 /nfs/dbraw/zinc/43/29/77/549432977.db2.gz NUJNBNYQJNUIHJ-ZMSDIMECSA-N 1 1 358.442 2.162 10 30 FEEEMO C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477489 541820503 /nfs/dbraw/zinc/82/05/03/541820503.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 1 1 358.490 2.178 10 30 FEEEMO C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477489 541820506 /nfs/dbraw/zinc/82/05/06/541820506.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 1 1 358.490 2.178 10 30 FEEEMO COc1ccccc1-c1c(C#N)c(SCC(N)=O)nc2c1C[N@@H+](C)CC2 ZINC000040569993 205072946 /nfs/dbraw/zinc/07/29/46/205072946.db2.gz HKUBWZGLCOIGTJ-UHFFFAOYSA-N 1 1 368.462 2.194 10 30 FEEEMO COCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108367 543199664 /nfs/dbraw/zinc/19/96/64/543199664.db2.gz AIVPBXYHVUSNNF-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO COCCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108367 543199665 /nfs/dbraw/zinc/19/96/65/543199665.db2.gz AIVPBXYHVUSNNF-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO COCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108367 543199666 /nfs/dbraw/zinc/19/96/66/543199666.db2.gz AIVPBXYHVUSNNF-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO COCC[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000191784863 328281544 /nfs/dbraw/zinc/28/15/44/328281544.db2.gz KSVIHVVYXHRZEN-ZDUSSCGKSA-N 1 1 352.276 2.473 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125751436 326477157 /nfs/dbraw/zinc/47/71/57/326477157.db2.gz AZJNQEXULCFVEN-ZDUSSCGKSA-N 1 1 366.393 2.195 10 30 FEEEMO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000157470907 545744173 /nfs/dbraw/zinc/74/41/73/545744173.db2.gz YIESHHXVSOUVAP-AWEZNQCLSA-N 1 1 374.441 2.104 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1CC ZINC000172132984 546238107 /nfs/dbraw/zinc/23/81/07/546238107.db2.gz QQBQXNUVLAVNEB-SFHVURJKSA-N 1 1 374.485 2.231 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177220296 546573831 /nfs/dbraw/zinc/57/38/31/546573831.db2.gz XOYIUYAPXSBSLY-HNNXBMFYSA-N 1 1 371.828 2.346 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246195080 549074551 /nfs/dbraw/zinc/07/45/51/549074551.db2.gz OIMSMZWRLGSOPI-RISCZKNCSA-N 1 1 373.400 2.434 10 30 FEEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247775165 549378584 /nfs/dbraw/zinc/37/85/84/549378584.db2.gz QHZVYCNULAMECL-QAPCUYQASA-N 1 1 364.453 2.276 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC ZINC000247775269 549379847 /nfs/dbraw/zinc/37/98/47/549379847.db2.gz QKEFCXYKZKCHDH-ICSRJNTNSA-N 1 1 370.497 2.096 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387946 549425580 /nfs/dbraw/zinc/42/55/80/549425580.db2.gz CLWBKUAOKVGICK-SJORKVTESA-N 1 1 365.441 2.229 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000248545214 549454698 /nfs/dbraw/zinc/45/46/98/549454698.db2.gz JBCJXRUMOZJDTO-KGLIPLIRSA-N 1 1 353.875 2.459 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248680868 549483435 /nfs/dbraw/zinc/48/34/35/549483435.db2.gz OMRWEYZCTNGDOX-CVEARBPZSA-N 1 1 371.485 2.138 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249201493 549567818 /nfs/dbraw/zinc/56/78/18/549567818.db2.gz QZLOGYAFIQGSJG-GJZGRUSLSA-N 1 1 360.845 2.235 10 30 FEEEMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000025698554 539766522 /nfs/dbraw/zinc/76/65/22/539766522.db2.gz RQVDIPNKNBNULS-FGZHOGPDSA-N 1 1 365.477 2.447 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066621811 541348576 /nfs/dbraw/zinc/34/85/76/541348576.db2.gz HKXVUVIRDGKAHS-KRWDZBQOSA-N 1 1 356.470 2.314 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000103477548 543110426 /nfs/dbraw/zinc/11/04/26/543110426.db2.gz UDWGZBVDSVEROZ-INIZCTEOSA-N 1 1 358.490 2.162 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000103477548 543110428 /nfs/dbraw/zinc/11/04/28/543110428.db2.gz UDWGZBVDSVEROZ-INIZCTEOSA-N 1 1 358.490 2.162 10 30 FEEEMO N#Cc1ccc(F)c(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000106205082 543217916 /nfs/dbraw/zinc/21/79/16/543217916.db2.gz BBDUWHBMRABCQU-LJQANCHMSA-N 1 1 369.440 2.255 10 30 FEEEMO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOCC)[C@@H](CC)C2)CC1 ZINC000117046830 543621488 /nfs/dbraw/zinc/62/14/88/543621488.db2.gz AWXZJPUGZDNKQO-IBGZPJMESA-N 1 1 366.550 2.169 10 30 FEEEMO C=CCOc1ccccc1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119892924 543673188 /nfs/dbraw/zinc/67/31/88/543673188.db2.gz UGMAFBUXWNUUFJ-IBGZPJMESA-N 1 1 366.461 2.400 10 30 FEEEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)no1 ZINC000127960670 544023828 /nfs/dbraw/zinc/02/38/28/544023828.db2.gz JJXOTDSZJKAMJZ-HNNXBMFYSA-N 1 1 355.442 2.377 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000132206797 544222996 /nfs/dbraw/zinc/22/29/96/544222996.db2.gz NDWLQARUZNNPIH-QAPCUYQASA-N 1 1 373.476 2.258 10 30 FEEEMO COc1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1C#N ZINC000135052423 544332322 /nfs/dbraw/zinc/33/23/22/544332322.db2.gz HPKHEKSFULKPQS-UHFFFAOYSA-N 1 1 353.470 2.235 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000192935765 328347830 /nfs/dbraw/zinc/34/78/30/328347830.db2.gz IDQXPEGTWUFJSG-QGZVFWFLSA-N 1 1 370.478 2.096 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000171653807 327152147 /nfs/dbraw/zinc/15/21/47/327152147.db2.gz GGFBEKPYTJFDIA-SJLPKXTDSA-N 1 1 365.437 2.310 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000171653807 327152148 /nfs/dbraw/zinc/15/21/48/327152148.db2.gz GGFBEKPYTJFDIA-SJLPKXTDSA-N 1 1 365.437 2.310 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000247548351 549355583 /nfs/dbraw/zinc/35/55/83/549355583.db2.gz DSXKPPVMNHENKF-SJLPKXTDSA-N 1 1 358.486 2.318 10 30 FEEEMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000157925448 545800330 /nfs/dbraw/zinc/80/03/30/545800330.db2.gz GJTACUMKOYAHCZ-QGZVFWFLSA-N 1 1 367.453 2.336 10 30 FEEEMO N#Cc1ccc(F)cc1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000160100576 546007881 /nfs/dbraw/zinc/00/78/81/546007881.db2.gz NFWFBFHLYFDHBL-FQEVSTJZSA-N 1 1 369.440 2.255 10 30 FEEEMO N#CCCN(C(=O)CCC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000171765019 546224473 /nfs/dbraw/zinc/22/44/73/546224473.db2.gz QUCRMSKMILICSP-SFHVURJKSA-N 1 1 354.454 2.020 10 30 FEEEMO CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000180099654 547051329 /nfs/dbraw/zinc/05/13/29/547051329.db2.gz XNYHMSDSCQMUBW-UZLBHIALSA-N 1 1 367.497 2.236 10 30 FEEEMO CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O ZINC000246045180 549041190 /nfs/dbraw/zinc/04/11/90/549041190.db2.gz XNYHMSDSCQMUBW-OXJNMPFZSA-N 1 1 367.497 2.236 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000249148877 549562183 /nfs/dbraw/zinc/56/21/83/549562183.db2.gz GVNFPYCTRWEIPE-WBVHZDCISA-N 1 1 357.454 2.275 10 30 FEEEMO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C#N)c1CC ZINC000301610649 553665632 /nfs/dbraw/zinc/66/56/32/553665632.db2.gz CQRLRHPNKFVYFF-UHFFFAOYSA-N 1 1 351.458 2.207 10 30 FEEEMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000030532151 539884347 /nfs/dbraw/zinc/88/43/47/539884347.db2.gz FTHORJWTPBDDHC-GOSISDBHSA-N 1 1 369.440 2.397 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H]1C ZINC000106108482 543200050 /nfs/dbraw/zinc/20/00/50/543200050.db2.gz GDTVYESBLCMGNT-LJQANCHMSA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H]1C ZINC000106108482 543200053 /nfs/dbraw/zinc/20/00/53/543200053.db2.gz GDTVYESBLCMGNT-LJQANCHMSA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000106108874 543200097 /nfs/dbraw/zinc/20/00/97/543200097.db2.gz RSINCEYPVDNWNZ-QGZVFWFLSA-N 1 1 368.481 2.390 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000106108874 543200101 /nfs/dbraw/zinc/20/01/01/543200101.db2.gz RSINCEYPVDNWNZ-QGZVFWFLSA-N 1 1 368.481 2.390 10 30 FEEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106100330 543196068 /nfs/dbraw/zinc/19/60/68/543196068.db2.gz TUHDYBYLGRYVLZ-JKSUJKDBSA-N 1 1 363.527 2.290 10 30 FEEEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110742823 543367330 /nfs/dbraw/zinc/36/73/30/543367330.db2.gz AFCCNJICMZBJHW-GOSISDBHSA-N 1 1 359.470 2.022 10 30 FEEEMO C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173866854 327289790 /nfs/dbraw/zinc/28/97/90/327289790.db2.gz BSYJKFIAPTUIDB-YLJYHZDGSA-N 1 1 371.481 2.286 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174768156 327349638 /nfs/dbraw/zinc/34/96/38/327349638.db2.gz ZYPPCMFZCJXIAA-ZDUSSCGKSA-N 1 1 368.359 2.116 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177800126 327545957 /nfs/dbraw/zinc/54/59/57/327545957.db2.gz HWIWDKFJIRVFMH-WMLDXEAASA-N 1 1 358.442 2.141 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000247551243 549355104 /nfs/dbraw/zinc/35/51/04/549355104.db2.gz FAUWVOCDNJEXMW-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000247551243 549355109 /nfs/dbraw/zinc/35/51/09/549355109.db2.gz FAUWVOCDNJEXMW-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccc(F)c1 ZINC000095385572 536119814 /nfs/dbraw/zinc/11/98/14/536119814.db2.gz GOXVPFGVQQMVLS-LJQANCHMSA-N 1 1 367.428 2.044 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184963601 547908054 /nfs/dbraw/zinc/90/80/54/547908054.db2.gz VAIZYPXOOAOGBE-UONOGXRCSA-N 1 1 353.875 2.459 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245404749 548908464 /nfs/dbraw/zinc/90/84/64/548908464.db2.gz QHTIGKNBIHGCMC-HUUCEWRRSA-N 1 1 361.417 2.346 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245404749 548908469 /nfs/dbraw/zinc/90/84/69/548908469.db2.gz QHTIGKNBIHGCMC-HUUCEWRRSA-N 1 1 361.417 2.346 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1N1CCOCC1 ZINC000245531653 548941115 /nfs/dbraw/zinc/94/11/15/548941115.db2.gz CRSSXGAJPKVETC-SUMWQHHRSA-N 1 1 364.287 2.473 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246088595 549048980 /nfs/dbraw/zinc/04/89/80/549048980.db2.gz FUKBZQTYZWYENV-ZBFHGGJFSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246088595 549048985 /nfs/dbraw/zinc/04/89/85/549048985.db2.gz FUKBZQTYZWYENV-ZBFHGGJFSA-N 1 1 352.442 2.376 10 30 FEEEMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246825323 549222021 /nfs/dbraw/zinc/22/20/21/549222021.db2.gz WUUMLVQOSHKHPI-SJORKVTESA-N 1 1 356.470 2.110 10 30 FEEEMO CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000247804343 549382121 /nfs/dbraw/zinc/38/21/21/549382121.db2.gz SFKPBOOVLJGPEE-GBESFXJTSA-N 1 1 372.513 2.099 10 30 FEEEMO C[N@H+](Cc1nccc(N)n1)[C@H]1CCCN(C(=O)NCc2ccccc2)CC1 ZINC000328640868 553800441 /nfs/dbraw/zinc/80/04/41/553800441.db2.gz QHFZRSDQARZNHQ-KRWDZBQOSA-N 1 1 368.485 2.459 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(C(=O)NCc2ccccc2)CC1 ZINC000328640868 553800442 /nfs/dbraw/zinc/80/04/42/553800442.db2.gz QHFZRSDQARZNHQ-KRWDZBQOSA-N 1 1 368.485 2.459 10 30 FEEEMO C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329267515 553914379 /nfs/dbraw/zinc/91/43/79/553914379.db2.gz HTMDZQIEQASXGH-NXNVCVFFSA-N 1 1 351.491 2.232 10 30 FEEEMO C=CCn1c(=S)n(CN2CC[N@H+]3CCC[C@@H]3C2)nc1-c1cccnc1 ZINC000172504271 672342569 /nfs/dbraw/zinc/34/25/69/672342569.db2.gz ITNQVFRGRKQRGY-MRXNPFEDSA-N 1 1 356.499 2.400 10 30 FEEEMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230816 539751620 /nfs/dbraw/zinc/75/16/20/539751620.db2.gz ZOGNRUPYILYHKS-CQSZACIVSA-N 1 1 356.447 2.393 10 30 FEEEMO COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CCC3)cc1 ZINC000040824919 208271400 /nfs/dbraw/zinc/27/14/00/208271400.db2.gz SGDCPTQFIIRVKD-LPYMAVHISA-N 1 1 355.398 2.372 10 30 FEEEMO CN(c1cccnn1)C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000106085401 543193301 /nfs/dbraw/zinc/19/33/01/543193301.db2.gz QTSCPJMCRDHYTH-UHFFFAOYSA-N 1 1 370.501 2.062 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1CC ZINC000106117702 543202914 /nfs/dbraw/zinc/20/29/14/543202914.db2.gz YSVWPYOYKQIEBG-MRXNPFEDSA-N 1 1 362.474 2.139 10 30 FEEEMO COc1c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)nn1C ZINC000122824959 543725916 /nfs/dbraw/zinc/72/59/16/543725916.db2.gz LHLFJOGSMSEKEP-UHFFFAOYSA-N 1 1 353.470 2.317 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000150785425 544471901 /nfs/dbraw/zinc/47/19/01/544471901.db2.gz KHBKXWYTNXQXCD-ZBFHGGJFSA-N 1 1 374.510 2.476 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000170940708 327108632 /nfs/dbraw/zinc/10/86/32/327108632.db2.gz MMXKCRPEEDXFQE-SFHVURJKSA-N 1 1 364.453 2.278 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000177659901 327536057 /nfs/dbraw/zinc/53/60/57/327536057.db2.gz YQAMTSDHRUJJPL-HNNXBMFYSA-N 1 1 369.400 2.258 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000177660329 327536077 /nfs/dbraw/zinc/53/60/77/327536077.db2.gz GSRDEWWERFLCGU-INIZCTEOSA-N 1 1 365.437 2.428 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234476 546422374 /nfs/dbraw/zinc/42/23/74/546422374.db2.gz YPQJXVMSONGQCM-QGZVFWFLSA-N 1 1 372.494 2.428 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000195279534 548610616 /nfs/dbraw/zinc/61/06/16/548610616.db2.gz HZSGWYDQYCPDFU-LJQANCHMSA-N 1 1 363.465 2.346 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000195296254 548614664 /nfs/dbraw/zinc/61/46/64/548614664.db2.gz UOWKMDHVJMPVEF-MRXNPFEDSA-N 1 1 369.494 2.407 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377590 548632374 /nfs/dbraw/zinc/63/23/74/548632374.db2.gz WYMZVBXFDMJNBG-QWHCGFSZSA-N 1 1 350.488 2.285 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377590 548632377 /nfs/dbraw/zinc/63/23/77/548632377.db2.gz WYMZVBXFDMJNBG-QWHCGFSZSA-N 1 1 350.488 2.285 10 30 FEEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000246095638 549051176 /nfs/dbraw/zinc/05/11/76/549051176.db2.gz HAKBXXHAAQTQSG-HKUYNNGSSA-N 1 1 361.449 2.493 10 30 FEEEMO CC(C)n1cc([C@]2(O)CCC[N@@H+](CCOc3cccc(C#N)c3)C2)nn1 ZINC000284490205 551560682 /nfs/dbraw/zinc/56/06/82/551560682.db2.gz CKMREFWBJUBMAY-IBGZPJMESA-N 1 1 355.442 2.093 10 30 FEEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NC[C@H]2CCOC2)[C@@H]1c1cnn(C)c1 ZINC000328633357 553799848 /nfs/dbraw/zinc/79/98/48/553799848.db2.gz SNUZHVLTSIAQIW-SOLBZPMBSA-N 1 1 363.506 2.075 10 30 FEEEMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000329084698 553877443 /nfs/dbraw/zinc/87/74/43/553877443.db2.gz TXTNEAZKDASNKD-FHWLQOOXSA-N 1 1 361.486 2.126 10 30 FEEEMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000329084698 553877444 /nfs/dbraw/zinc/87/74/44/553877444.db2.gz TXTNEAZKDASNKD-FHWLQOOXSA-N 1 1 361.486 2.126 10 30 FEEEMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)c(C#N)c1C ZINC000583618227 570808435 /nfs/dbraw/zinc/80/84/35/570808435.db2.gz UDVZEFIDIVXRDY-MAUKXSAKSA-N 1 1 353.474 2.218 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000103476405 543110012 /nfs/dbraw/zinc/11/00/12/543110012.db2.gz PGWHBJSVYZMNQC-MRXNPFEDSA-N 1 1 352.442 2.378 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000103477546 543110307 /nfs/dbraw/zinc/11/03/07/543110307.db2.gz UDWGZBVDSVEROZ-MRXNPFEDSA-N 1 1 358.490 2.162 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000103477546 543110310 /nfs/dbraw/zinc/11/03/10/543110310.db2.gz UDWGZBVDSVEROZ-MRXNPFEDSA-N 1 1 358.490 2.162 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173520 543212872 /nfs/dbraw/zinc/21/28/72/543212872.db2.gz FNVGGMBIQLZETB-MSOLQXFVSA-N 1 1 366.469 2.325 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)n1 ZINC000106201109 543217507 /nfs/dbraw/zinc/21/75/07/543217507.db2.gz YUTZHIPGPZMCJJ-GOSISDBHSA-N 1 1 367.453 2.101 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)n1 ZINC000106201109 543217511 /nfs/dbraw/zinc/21/75/11/543217511.db2.gz YUTZHIPGPZMCJJ-GOSISDBHSA-N 1 1 367.453 2.101 10 30 FEEEMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116309707 543606452 /nfs/dbraw/zinc/60/64/52/543606452.db2.gz IADFKOWSFSPCLY-HKUYNNGSSA-N 1 1 371.481 2.386 10 30 FEEEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000120504352 326264293 /nfs/dbraw/zinc/26/42/93/326264293.db2.gz FOOZDBNQEFMTTF-MRXNPFEDSA-N 1 1 360.458 2.266 10 30 FEEEMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4cccnn4)CC3)o2)cc1 ZINC000173669917 327275404 /nfs/dbraw/zinc/27/54/04/327275404.db2.gz NGVANQQGGVZNHB-UHFFFAOYSA-N 1 1 361.409 2.111 10 30 FEEEMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4cccnn4)CC3)o2)cc1 ZINC000173669917 327275406 /nfs/dbraw/zinc/27/54/06/327275406.db2.gz NGVANQQGGVZNHB-UHFFFAOYSA-N 1 1 361.409 2.111 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1CC ZINC000247550181 549355611 /nfs/dbraw/zinc/35/56/11/549355611.db2.gz SGMARQGBQRLLIY-FUHWJXTLSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1CC ZINC000247550181 549355615 /nfs/dbraw/zinc/35/56/15/549355615.db2.gz SGMARQGBQRLLIY-FUHWJXTLSA-N 1 1 359.470 2.285 10 30 FEEEMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172210880 546241512 /nfs/dbraw/zinc/24/15/12/546241512.db2.gz WUUMLVQOSHKHPI-DLBZAZTESA-N 1 1 356.470 2.110 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000179431918 546952367 /nfs/dbraw/zinc/95/23/67/546952367.db2.gz VSLDRTWMNNXXIJ-ADKAHSJRSA-N 1 1 371.485 2.427 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180039241 547041869 /nfs/dbraw/zinc/04/18/69/547041869.db2.gz JBCJXRUMOZJDTO-UONOGXRCSA-N 1 1 353.875 2.459 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000181744767 547373267 /nfs/dbraw/zinc/37/32/67/547373267.db2.gz TXJFGUPRJIZCKZ-AEFFLSMTSA-N 1 1 361.486 2.238 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000181744749 547373320 /nfs/dbraw/zinc/37/33/20/547373320.db2.gz TXJFGUPRJIZCKZ-SJLPKXTDSA-N 1 1 361.486 2.238 10 30 FEEEMO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000185900212 548054159 /nfs/dbraw/zinc/05/41/59/548054159.db2.gz PNOZFWQLUPDOBV-HNNXBMFYSA-N 1 1 373.478 2.366 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000190099450 548317470 /nfs/dbraw/zinc/31/74/70/548317470.db2.gz GVNFPYCTRWEIPE-NVXWUHKLSA-N 1 1 357.454 2.275 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246088593 549049212 /nfs/dbraw/zinc/04/92/12/549049212.db2.gz FUKBZQTYZWYENV-GDBMZVCRSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246088593 549049215 /nfs/dbraw/zinc/04/92/15/549049215.db2.gz FUKBZQTYZWYENV-GDBMZVCRSA-N 1 1 352.442 2.376 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247806966 549381901 /nfs/dbraw/zinc/38/19/01/549381901.db2.gz SYHBZZJCMLESMV-DLBZAZTESA-N 1 1 365.543 2.304 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247806966 549381904 /nfs/dbraw/zinc/38/19/04/549381904.db2.gz SYHBZZJCMLESMV-DLBZAZTESA-N 1 1 365.543 2.304 10 30 FEEEMO N#Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2n1 ZINC000301389379 553647875 /nfs/dbraw/zinc/64/78/75/553647875.db2.gz ZGVIVNWWKQUKAW-UHFFFAOYSA-N 1 1 359.437 2.131 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000310958385 553754240 /nfs/dbraw/zinc/75/42/40/553754240.db2.gz BHHZXFBDULEQPE-INIZCTEOSA-N 1 1 357.479 2.498 10 30 FEEEMO COc1ccc2c(c1O)[C@@]13CC[N@@H+](C)[C@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000031460147 291050741 /nfs/dbraw/zinc/05/07/41/291050741.db2.gz XLWYWPDYNLZUJS-VQTJNVASSA-N 1 1 359.422 2.136 10 30 biogenic,in-vitro FEEEMO COc1ccc2c(c1O)[C@@]13CC[N@H+](C)[C@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000031460147 291050743 /nfs/dbraw/zinc/05/07/43/291050743.db2.gz XLWYWPDYNLZUJS-VQTJNVASSA-N 1 1 359.422 2.136 10 30 biogenic,in-vitro FEEEMO Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824884 208269922 /nfs/dbraw/zinc/26/99/22/208269922.db2.gz OLPDFEOLFMUETM-LSHDLFTRSA-N 1 1 360.805 2.412 10 30 FEEEMO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C#N)c1C ZINC000106077029 543190664 /nfs/dbraw/zinc/19/06/64/543190664.db2.gz MBKPBEHSRGPHSR-HNNXBMFYSA-N 1 1 368.441 2.097 10 30 FEEEMO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C#N)c1C ZINC000106077029 543190668 /nfs/dbraw/zinc/19/06/68/543190668.db2.gz MBKPBEHSRGPHSR-HNNXBMFYSA-N 1 1 368.441 2.097 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000106120145 543203793 /nfs/dbraw/zinc/20/37/93/543203793.db2.gz NVIRQZMBRAREGJ-LJQANCHMSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000106120145 543203795 /nfs/dbraw/zinc/20/37/95/543203795.db2.gz NVIRQZMBRAREGJ-LJQANCHMSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000106120145 543203797 /nfs/dbraw/zinc/20/37/97/543203797.db2.gz NVIRQZMBRAREGJ-LJQANCHMSA-N 1 1 358.486 2.320 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173518 543212716 /nfs/dbraw/zinc/21/27/16/543212716.db2.gz FNVGGMBIQLZETB-ROUUACIJSA-N 1 1 366.469 2.325 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193399719 328373021 /nfs/dbraw/zinc/37/30/21/328373021.db2.gz HCWWPDRSINBKLR-IAGOWNOFSA-N 1 1 371.485 2.156 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826388 545665362 /nfs/dbraw/zinc/66/53/62/545665362.db2.gz PEBFIYPPEVBKQF-KRWDZBQOSA-N 1 1 358.467 2.002 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000157731742 545776152 /nfs/dbraw/zinc/77/61/52/545776152.db2.gz IKDJNEOUNXSELK-HNNXBMFYSA-N 1 1 362.430 2.482 10 30 FEEEMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160417359 546038536 /nfs/dbraw/zinc/03/85/36/546038536.db2.gz IKLHORLIEBACIZ-MRXNPFEDSA-N 1 1 358.486 2.033 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000184599325 547852047 /nfs/dbraw/zinc/85/20/47/547852047.db2.gz HFHWMQSPFNXGMF-INIZCTEOSA-N 1 1 358.442 2.285 10 30 FEEEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612157 /nfs/dbraw/zinc/61/21/57/548612157.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 1 1 350.466 2.441 10 30 FEEEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612162 /nfs/dbraw/zinc/61/21/62/548612162.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 1 1 350.466 2.441 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612166 /nfs/dbraw/zinc/61/21/66/548612166.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 1 1 350.466 2.441 10 30 FEEEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)no1 ZINC000246181553 549070844 /nfs/dbraw/zinc/07/08/44/549070844.db2.gz JJXOTDSZJKAMJZ-OAHLLOKOSA-N 1 1 355.442 2.377 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000246426547 549130823 /nfs/dbraw/zinc/13/08/23/549130823.db2.gz SOWPLLMCCLGBRV-CYBMUJFWSA-N 1 1 364.515 2.218 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000246426547 549130827 /nfs/dbraw/zinc/13/08/27/549130827.db2.gz SOWPLLMCCLGBRV-CYBMUJFWSA-N 1 1 364.515 2.218 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000328630300 553798932 /nfs/dbraw/zinc/79/89/32/553798932.db2.gz JEXDBZGTHBEEKJ-AWEZNQCLSA-N 1 1 354.433 2.560 10 30 FEEEMO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262791715 672920794 /nfs/dbraw/zinc/92/07/94/672920794.db2.gz OGZGQZNDDFKRBH-MSOLQXFVSA-N 1 1 362.905 2.285 10 30 FEEEMO CC[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000106114276 543201707 /nfs/dbraw/zinc/20/17/07/543201707.db2.gz DTJDFVIJBSENTE-HOCLYGCPSA-N 1 1 362.474 2.138 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1CC ZINC000106117899 543202726 /nfs/dbraw/zinc/20/27/26/543202726.db2.gz XYKDNNCBICNMFI-ZWKOTPCHSA-N 1 1 364.534 2.150 10 30 FEEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106180684 543214326 /nfs/dbraw/zinc/21/43/26/543214326.db2.gz OPZHUIGEMQBNAJ-KRWDZBQOSA-N 1 1 352.442 2.117 10 30 FEEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000171643628 327150899 /nfs/dbraw/zinc/15/08/99/327150899.db2.gz HAKBXXHAAQTQSG-IEBWSBKVSA-N 1 1 361.449 2.493 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173949349 546288935 /nfs/dbraw/zinc/28/89/35/546288935.db2.gz POBQXPXTHGWVBX-QUCCMNQESA-N 1 1 370.497 2.037 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173949349 546288941 /nfs/dbraw/zinc/28/89/41/546288941.db2.gz POBQXPXTHGWVBX-QUCCMNQESA-N 1 1 370.497 2.037 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000177982667 546717538 /nfs/dbraw/zinc/71/75/38/546717538.db2.gz JSRFVEUFVSMCAI-HNNXBMFYSA-N 1 1 371.828 2.346 10 30 FEEEMO COCC[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000181094622 547248635 /nfs/dbraw/zinc/24/86/35/547248635.db2.gz AQDXHTQCIHPMAM-CYBMUJFWSA-N 1 1 352.276 2.473 10 30 FEEEMO CN(C(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C1(C#N)CCCCC1 ZINC000188143307 548272905 /nfs/dbraw/zinc/27/29/05/548272905.db2.gz ZXRMHQOGTQFYQL-IRXDYDNUSA-N 1 1 361.511 2.441 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000246433206 549131887 /nfs/dbraw/zinc/13/18/87/549131887.db2.gz MVQJSGMLTIYOLH-GJZGRUSLSA-N 1 1 356.388 2.324 10 30 FEEEMO C#CCCCNC(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000192384090 672688635 /nfs/dbraw/zinc/68/86/35/672688635.db2.gz XNZOOMSHWZMVED-UHFFFAOYSA-N 1 1 351.491 2.237 10 30 FEEEMO C#CCCCNC(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000192384090 672688637 /nfs/dbraw/zinc/68/86/37/672688637.db2.gz XNZOOMSHWZMVED-UHFFFAOYSA-N 1 1 351.491 2.237 10 30 FEEEMO Cc1nnc(CNC(NCc2cccs2)=[NH+][C@@H]2CCC[C@@H]2C#N)n1C ZINC000261955826 672906200 /nfs/dbraw/zinc/90/62/00/672906200.db2.gz IRGAEXCIACODNU-UKRRQHHQSA-N 1 1 357.487 2.113 10 30 FEEEMO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)n1 ZINC000096073876 209108273 /nfs/dbraw/zinc/10/82/73/209108273.db2.gz JIVGPDPNHXKAGG-QUCCMNQESA-N 1 1 356.470 2.415 10 30 FEEEMO Cc1ncc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)s1 ZINC000106090460 543194646 /nfs/dbraw/zinc/19/46/46/543194646.db2.gz QFQDQUXXWIHBRT-UHFFFAOYSA-N 1 1 369.494 2.470 10 30 FEEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559412 543696471 /nfs/dbraw/zinc/69/64/71/543696471.db2.gz CJSGHIUEVYCCTL-KRWDZBQOSA-N 1 1 353.470 2.419 10 30 FEEEMO C[C@@H](C#N)Oc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000121559412 543696476 /nfs/dbraw/zinc/69/64/76/543696476.db2.gz CJSGHIUEVYCCTL-KRWDZBQOSA-N 1 1 353.470 2.419 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125747473 543899321 /nfs/dbraw/zinc/89/93/21/543899321.db2.gz FWGPEKITVBTASG-QWHCGFSZSA-N 1 1 355.410 2.084 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)COc2ccccc2C#N)C1 ZINC000190647354 328221981 /nfs/dbraw/zinc/22/19/81/328221981.db2.gz PMPJMZNGZFRCPR-SFHVURJKSA-N 1 1 364.449 2.313 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177800161 327546143 /nfs/dbraw/zinc/54/61/43/327546143.db2.gz HWIWDKFJIRVFMH-PBHICJAKSA-N 1 1 358.442 2.141 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247560296 549357665 /nfs/dbraw/zinc/35/76/65/549357665.db2.gz ZYZUOHWZWXIDID-WBVHZDCISA-N 1 1 357.454 2.421 10 30 FEEEMO COc1ccc(C#N)cc1CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159951222 545994919 /nfs/dbraw/zinc/99/49/19/545994919.db2.gz URJZFXUIYMSLAT-UHFFFAOYSA-N 1 1 353.470 2.235 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184616948 547854451 /nfs/dbraw/zinc/85/44/51/547854451.db2.gz CLWBKUAOKVGICK-IAGOWNOFSA-N 1 1 365.441 2.229 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000190350774 548323834 /nfs/dbraw/zinc/32/38/34/548323834.db2.gz AKTFYSFESOYKRP-ARFHVFGLSA-N 1 1 370.453 2.001 10 30 FEEEMO O[C@@H](COc1ccccc1)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000192008474 548356343 /nfs/dbraw/zinc/35/63/43/548356343.db2.gz UREPXFPNLIKIEI-OAQYLSRUSA-N 1 1 350.462 2.096 10 30 FEEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047437 548427436 /nfs/dbraw/zinc/42/74/36/548427436.db2.gz YQNVQZRQPOJCCQ-CQSZACIVSA-N 1 1 355.467 2.312 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246879178 549234138 /nfs/dbraw/zinc/23/41/38/549234138.db2.gz FSRVWPIWZRYEFI-CABCVRRESA-N 1 1 360.845 2.235 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC ZINC000247775283 549380431 /nfs/dbraw/zinc/38/04/31/549380431.db2.gz QKEXQJLTKVIFSU-APWZRJJASA-N 1 1 358.486 2.318 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000249594370 549609118 /nfs/dbraw/zinc/60/91/18/549609118.db2.gz WJUKJLYGKYOGTG-SCTDSRPQSA-N 1 1 358.463 2.067 10 30 FEEEMO N#Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302724262 553728809 /nfs/dbraw/zinc/72/88/09/553728809.db2.gz MVDULWWVGSGTNR-UHFFFAOYSA-N 1 1 353.382 2.062 10 30 FEEEMO C=C(Br)CNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000112718275 670875805 /nfs/dbraw/zinc/87/58/05/670875805.db2.gz XVTKYBJUDGCESQ-UHFFFAOYSA-N 1 1 370.295 2.029 10 30 FEEEMO C=C(Br)CNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000112718275 670875813 /nfs/dbraw/zinc/87/58/13/670875813.db2.gz XVTKYBJUDGCESQ-UHFFFAOYSA-N 1 1 370.295 2.029 10 30 FEEEMO C=CCOc1cc(Cl)c([C@H]2N[C@@](C)(CO)[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000065506733 541241402 /nfs/dbraw/zinc/24/14/02/541241402.db2.gz ULAHWMYFTGSYRJ-CFGMGRTJSA-N 1 1 366.889 2.487 10 30 FEEEMO C=CCOc1cc(Cl)c([C@H]2N[C@@](C)(CO)[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000065506733 541241404 /nfs/dbraw/zinc/24/14/04/541241404.db2.gz ULAHWMYFTGSYRJ-CFGMGRTJSA-N 1 1 366.889 2.487 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC ZINC000106117904 543202265 /nfs/dbraw/zinc/20/22/65/543202265.db2.gz XYKDNNCBICNMFI-ROUUACIJSA-N 1 1 364.534 2.150 10 30 FEEEMO N#Cc1cccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000106205122 543217904 /nfs/dbraw/zinc/21/79/04/543217904.db2.gz LOWLUAFDJOCKCV-FQEVSTJZSA-N 1 1 351.450 2.116 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000106218723 543219465 /nfs/dbraw/zinc/21/94/65/543219465.db2.gz HSVMMIRXIIHGPU-OAHLLOKOSA-N 1 1 358.833 2.469 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc1OC ZINC000117305209 543628336 /nfs/dbraw/zinc/62/83/36/543628336.db2.gz HQQYWJWJJWZSKP-QGZVFWFLSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)cc1OC ZINC000117305209 543628338 /nfs/dbraw/zinc/62/83/38/543628338.db2.gz HQQYWJWJJWZSKP-QGZVFWFLSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)cc1 ZINC000117446863 543632464 /nfs/dbraw/zinc/63/24/64/543632464.db2.gz TZZOANLBHXJFQE-SFHVURJKSA-N 1 1 374.485 2.177 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190338682 328201020 /nfs/dbraw/zinc/20/10/20/328201020.db2.gz QZLOGYAFIQGSJG-HUUCEWRRSA-N 1 1 360.845 2.235 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247551059 549355010 /nfs/dbraw/zinc/35/50/10/549355010.db2.gz DZUCRHIVSKOANZ-ULQDDVLXSA-N 1 1 365.543 2.038 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000171408623 546208119 /nfs/dbraw/zinc/20/81/19/546208119.db2.gz ZQRJMZDPXSUDGU-MRXNPFEDSA-N 1 1 359.474 2.317 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000171408623 546208123 /nfs/dbraw/zinc/20/81/23/546208123.db2.gz ZQRJMZDPXSUDGU-MRXNPFEDSA-N 1 1 359.474 2.317 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1CC ZINC000172134606 546237807 /nfs/dbraw/zinc/23/78/07/546237807.db2.gz HGKYRGFOHHHZMF-QGZVFWFLSA-N 1 1 362.449 2.340 10 30 FEEEMO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177686763 546667650 /nfs/dbraw/zinc/66/76/50/546667650.db2.gz TYWXXEIKUDUYCT-HUUCEWRRSA-N 1 1 372.494 2.183 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178519047 546806389 /nfs/dbraw/zinc/80/63/89/546806389.db2.gz AVRNJDVQUZWNSD-INIZCTEOSA-N 1 1 351.410 2.001 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194350197 548469480 /nfs/dbraw/zinc/46/94/80/548469480.db2.gz UMGIWHRPHPPURH-KRWDZBQOSA-N 1 1 372.469 2.221 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194350197 548469484 /nfs/dbraw/zinc/46/94/84/548469484.db2.gz UMGIWHRPHPPURH-KRWDZBQOSA-N 1 1 372.469 2.221 10 30 FEEEMO C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000245932661 549024001 /nfs/dbraw/zinc/02/40/01/549024001.db2.gz SRJPRDKZCIAGOW-RTBURBONSA-N 1 1 366.550 2.168 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000246090611 549049869 /nfs/dbraw/zinc/04/98/69/549049869.db2.gz GGFBEKPYTJFDIA-AEFFLSMTSA-N 1 1 365.437 2.310 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000246090611 549049873 /nfs/dbraw/zinc/04/98/73/549049873.db2.gz GGFBEKPYTJFDIA-AEFFLSMTSA-N 1 1 365.437 2.310 10 30 FEEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000248415196 549432744 /nfs/dbraw/zinc/43/27/44/549432744.db2.gz NUJNBNYQJNUIHJ-UXLLHSPISA-N 1 1 358.442 2.162 10 30 FEEEMO CC(C)n1cc([C@@]2(O)CCC[N@@H+](CCOc3ccccc3C#N)C2)nn1 ZINC000284758149 551625915 /nfs/dbraw/zinc/62/59/15/551625915.db2.gz YCSWMRAASRWXDY-LJQANCHMSA-N 1 1 355.442 2.093 10 30 FEEEMO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379689907 558602450 /nfs/dbraw/zinc/60/24/50/558602450.db2.gz AJXZVPFDNPHTFZ-QGZVFWFLSA-N 1 1 370.478 2.286 10 30 FEEEMO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379689907 558602452 /nfs/dbraw/zinc/60/24/52/558602452.db2.gz AJXZVPFDNPHTFZ-QGZVFWFLSA-N 1 1 370.478 2.286 10 30 FEEEMO Cc1nnc(CNC(NCc2cccs2)=[NH+][C@@H]2CCC[C@H]2C#N)n1C ZINC000261955824 672906039 /nfs/dbraw/zinc/90/60/39/672906039.db2.gz IRGAEXCIACODNU-DZGCQCFKSA-N 1 1 357.487 2.113 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1CC ZINC000106117706 543202412 /nfs/dbraw/zinc/20/24/12/543202412.db2.gz YSVWPYOYKQIEBG-INIZCTEOSA-N 1 1 362.474 2.139 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000129298824 544103607 /nfs/dbraw/zinc/10/36/07/544103607.db2.gz FCHUYTCFAINDMR-OAHLLOKOSA-N 1 1 362.861 2.387 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192275915 328310238 /nfs/dbraw/zinc/31/02/38/328310238.db2.gz UGWMLATTYCDPHY-HNNXBMFYSA-N 1 1 360.458 2.155 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192275915 328310240 /nfs/dbraw/zinc/31/02/40/328310240.db2.gz UGWMLATTYCDPHY-HNNXBMFYSA-N 1 1 360.458 2.155 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193399734 328373027 /nfs/dbraw/zinc/37/30/27/328373027.db2.gz HCWWPDRSINBKLR-DLBZAZTESA-N 1 1 371.485 2.156 10 30 FEEEMO C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477488 518711508 /nfs/dbraw/zinc/71/15/08/518711508.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 1 1 358.490 2.178 10 30 FEEEMO C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477488 518711510 /nfs/dbraw/zinc/71/15/10/518711510.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 1 1 358.490 2.178 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000184608815 547853309 /nfs/dbraw/zinc/85/33/09/547853309.db2.gz AZIUDPYPRFLFHU-YOEHRIQHSA-N 1 1 360.458 2.434 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000190075647 548316462 /nfs/dbraw/zinc/31/64/62/548316462.db2.gz NCJZQVKGRKHXOH-LSDHHAIUSA-N 1 1 372.494 2.326 10 30 FEEEMO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000246946058 549248286 /nfs/dbraw/zinc/24/82/86/549248286.db2.gz BEESZBJYQIHXLI-RTBURBONSA-N 1 1 372.513 2.364 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000248503782 549451389 /nfs/dbraw/zinc/45/13/89/549451389.db2.gz VAIZYPXOOAOGBE-KGLIPLIRSA-N 1 1 353.875 2.459 10 30 FEEEMO N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000379690907 558602662 /nfs/dbraw/zinc/60/26/62/558602662.db2.gz CNLXYTIKCVVASS-GOSISDBHSA-N 1 1 370.478 2.286 10 30 FEEEMO N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000379690907 558602666 /nfs/dbraw/zinc/60/26/66/558602666.db2.gz CNLXYTIKCVVASS-GOSISDBHSA-N 1 1 370.478 2.286 10 30 FEEEMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000025698556 539766290 /nfs/dbraw/zinc/76/62/90/539766290.db2.gz RQVDIPNKNBNULS-FCHUYYIVSA-N 1 1 365.477 2.447 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066621812 541348463 /nfs/dbraw/zinc/34/84/63/541348463.db2.gz HKXVUVIRDGKAHS-QGZVFWFLSA-N 1 1 356.470 2.314 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000103476408 543110641 /nfs/dbraw/zinc/11/06/41/543110641.db2.gz QBZSSHRSCJRZED-INIZCTEOSA-N 1 1 352.442 2.378 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079100 543191862 /nfs/dbraw/zinc/19/18/62/543191862.db2.gz WLEBZFNYGPNPAF-HNNXBMFYSA-N 1 1 370.482 2.339 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000106111368 543200765 /nfs/dbraw/zinc/20/07/65/543200765.db2.gz XWYUPDRSBNIIGU-OALUTQOASA-N 1 1 372.513 2.364 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000106111368 543200767 /nfs/dbraw/zinc/20/07/67/543200767.db2.gz XWYUPDRSBNIIGU-OALUTQOASA-N 1 1 372.513 2.364 10 30 FEEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cn1 ZINC000109660869 543332317 /nfs/dbraw/zinc/33/23/17/543332317.db2.gz MTYNLGLKRPGQPO-UHFFFAOYSA-N 1 1 365.481 2.442 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cn1 ZINC000109660869 543332319 /nfs/dbraw/zinc/33/23/19/543332319.db2.gz MTYNLGLKRPGQPO-UHFFFAOYSA-N 1 1 365.481 2.442 10 30 FEEEMO C=CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1 ZINC000119879845 543673116 /nfs/dbraw/zinc/67/31/16/543673116.db2.gz INKMCUFJHAPNKE-UHFFFAOYSA-N 1 1 365.547 2.430 10 30 FEEEMO C=CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1 ZINC000119879845 543673119 /nfs/dbraw/zinc/67/31/19/543673119.db2.gz INKMCUFJHAPNKE-UHFFFAOYSA-N 1 1 365.547 2.430 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000191912494 328288355 /nfs/dbraw/zinc/28/83/55/328288355.db2.gz IAYXAIXGQIQZMC-UHFFFAOYSA-N 1 1 371.481 2.365 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000191912494 328288356 /nfs/dbraw/zinc/28/83/56/328288356.db2.gz IAYXAIXGQIQZMC-UHFFFAOYSA-N 1 1 371.481 2.365 10 30 FEEEMO Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192159817 328303675 /nfs/dbraw/zinc/30/36/75/328303675.db2.gz FDRNDXNLEUKQNR-MRXNPFEDSA-N 1 1 374.485 2.165 10 30 FEEEMO Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192159817 328303677 /nfs/dbraw/zinc/30/36/77/328303677.db2.gz FDRNDXNLEUKQNR-MRXNPFEDSA-N 1 1 374.485 2.165 10 30 FEEEMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160135758 546011813 /nfs/dbraw/zinc/01/18/13/546011813.db2.gz CGRBQMJVBSIBRI-MRXNPFEDSA-N 1 1 368.460 2.130 10 30 FEEEMO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000160277550 546025712 /nfs/dbraw/zinc/02/57/12/546025712.db2.gz ZCRFNFDQBCLQHG-CYBMUJFWSA-N 1 1 357.426 2.235 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000160277550 546025716 /nfs/dbraw/zinc/02/57/16/546025716.db2.gz ZCRFNFDQBCLQHG-CYBMUJFWSA-N 1 1 357.426 2.235 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1CC ZINC000175979440 546384684 /nfs/dbraw/zinc/38/46/84/546384684.db2.gz CHZSBFJADFIVEG-SFHVURJKSA-N 1 1 374.485 2.079 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000177702937 546669972 /nfs/dbraw/zinc/66/99/72/546669972.db2.gz IOKLHLGXCHAOSZ-SFHVURJKSA-N 1 1 366.469 2.099 10 30 FEEEMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000178544137 546809369 /nfs/dbraw/zinc/80/93/69/546809369.db2.gz XSKUGKVQGDQKCF-UHFFFAOYSA-N 1 1 352.442 2.340 10 30 FEEEMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000178544137 546809373 /nfs/dbraw/zinc/80/93/73/546809373.db2.gz XSKUGKVQGDQKCF-UHFFFAOYSA-N 1 1 352.442 2.340 10 30 FEEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246557527 549161005 /nfs/dbraw/zinc/16/10/05/549161005.db2.gz WLPQWPCMYWPMHI-RHSMWYFYSA-N 1 1 372.469 2.129 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000252353305 549664765 /nfs/dbraw/zinc/66/47/65/549664765.db2.gz WSLVYHVSQAMQTQ-UKRRQHHQSA-N 1 1 362.474 2.138 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000252353305 549664767 /nfs/dbraw/zinc/66/47/67/549664767.db2.gz WSLVYHVSQAMQTQ-UKRRQHHQSA-N 1 1 362.474 2.138 10 30 FEEEMO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000301806233 553680924 /nfs/dbraw/zinc/68/09/24/553680924.db2.gz YOJNXIDTSCOUAY-CYBMUJFWSA-N 1 1 359.380 2.120 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000328625436 553798404 /nfs/dbraw/zinc/79/84/04/553798404.db2.gz DDNSWCFVEBKJQQ-AWEZNQCLSA-N 1 1 371.876 2.470 10 30 FEEEMO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CCOC)[C@H](C)C2)c1=S ZINC000117321744 670914247 /nfs/dbraw/zinc/91/42/47/670914247.db2.gz FVSUIMZAKBLSMX-CQSZACIVSA-N 1 1 351.520 2.087 10 30 FEEEMO CC(=O)NCc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000886072092 688199561 /nfs/dbraw/zinc/19/95/61/688199561.db2.gz PACHGOIDZNEZBO-INIZCTEOSA-N 1 1 356.451 2.304 10 30 FEEEMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077237 543190810 /nfs/dbraw/zinc/19/08/10/543190810.db2.gz FRMCDLJLHLQPDE-DOTOQJQBSA-N 1 1 364.453 2.276 10 30 FEEEMO COCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108366 543199780 /nfs/dbraw/zinc/19/97/80/543199780.db2.gz AIVPBXYHVUSNNF-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO COCCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108366 543199783 /nfs/dbraw/zinc/19/97/83/543199783.db2.gz AIVPBXYHVUSNNF-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO COCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108366 543199785 /nfs/dbraw/zinc/19/97/85/543199785.db2.gz AIVPBXYHVUSNNF-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)cc1OC ZINC000117279939 543625917 /nfs/dbraw/zinc/62/59/17/543625917.db2.gz BVMYBYRRTMBKTG-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)cc1OC ZINC000117279939 543625921 /nfs/dbraw/zinc/62/59/21/543625921.db2.gz BVMYBYRRTMBKTG-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO C[C@@H](O)C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120582329 543682256 /nfs/dbraw/zinc/68/22/56/543682256.db2.gz LVKIYTMMFDPFAT-QZTJIDSGSA-N 1 1 367.497 2.351 10 30 FEEEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000153972830 544848005 /nfs/dbraw/zinc/84/80/05/544848005.db2.gz XQUIVDHZERGCKP-KRWDZBQOSA-N 1 1 354.458 2.399 10 30 FEEEMO CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000247548451 549355092 /nfs/dbraw/zinc/35/50/92/549355092.db2.gz DTJDFVIJBSENTE-GDBMZVCRSA-N 1 1 362.474 2.138 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000176109716 546408529 /nfs/dbraw/zinc/40/85/29/546408529.db2.gz LBVLGGQTMUFXEF-KRWDZBQOSA-N 1 1 353.426 2.468 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000177131190 546550896 /nfs/dbraw/zinc/55/08/96/546550896.db2.gz SOWPLLMCCLGBRV-ZDUSSCGKSA-N 1 1 364.515 2.218 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000177131190 546550898 /nfs/dbraw/zinc/55/08/98/546550898.db2.gz SOWPLLMCCLGBRV-ZDUSSCGKSA-N 1 1 364.515 2.218 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180039227 547042224 /nfs/dbraw/zinc/04/22/24/547042224.db2.gz JBCJXRUMOZJDTO-ZIAGYGMSSA-N 1 1 353.875 2.459 10 30 FEEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)C2(C(=O)N(C)C)CC2)[C@@H]1c1ccccc1 ZINC000329013810 553864462 /nfs/dbraw/zinc/86/44/62/553864462.db2.gz PLTNJYLPIBYBEM-IRXDYDNUSA-N 1 1 359.470 2.273 10 30 FEEEMO CC[N@H+]1CCO[C@@H](CNC(=O)C2(C(=O)N(C)C)CC2)[C@@H]1c1ccccc1 ZINC000329013810 553864464 /nfs/dbraw/zinc/86/44/64/553864464.db2.gz PLTNJYLPIBYBEM-IRXDYDNUSA-N 1 1 359.470 2.273 10 30 FEEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129118 543206047 /nfs/dbraw/zinc/20/60/47/543206047.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 1 1 361.534 2.092 10 30 FEEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129118 543206048 /nfs/dbraw/zinc/20/60/48/543206048.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 1 1 361.534 2.092 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000129482535 544115010 /nfs/dbraw/zinc/11/50/10/544115010.db2.gz ULZCXVRKFLWDNF-QGZVFWFLSA-N 1 1 359.470 2.427 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1CC ZINC000116771490 326033481 /nfs/dbraw/zinc/03/34/81/326033481.db2.gz SGMARQGBQRLLIY-AEFFLSMTSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1CC ZINC000116771490 326033482 /nfs/dbraw/zinc/03/34/82/326033482.db2.gz SGMARQGBQRLLIY-AEFFLSMTSA-N 1 1 359.470 2.285 10 30 FEEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097833 518302893 /nfs/dbraw/zinc/30/28/93/518302893.db2.gz ZUQBJEVOFJMSQA-KRWDZBQOSA-N 1 1 357.406 2.330 10 30 FEEEMO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097833 518302899 /nfs/dbraw/zinc/30/28/99/518302899.db2.gz ZUQBJEVOFJMSQA-KRWDZBQOSA-N 1 1 357.406 2.330 10 30 FEEEMO CCOCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1CC ZINC000157956957 545804870 /nfs/dbraw/zinc/80/48/70/545804870.db2.gz RIRCBOHAGAVFCM-SFHVURJKSA-N 1 1 361.486 2.378 10 30 FEEEMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000245801904 548996895 /nfs/dbraw/zinc/99/68/95/548996895.db2.gz XYJOTCNLYYKECM-SJORKVTESA-N 1 1 361.486 2.265 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386742 549122197 /nfs/dbraw/zinc/12/21/97/549122197.db2.gz KHBKXWYTNXQXCD-GDBMZVCRSA-N 1 1 374.510 2.476 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248430564 549434840 /nfs/dbraw/zinc/43/48/40/549434840.db2.gz AZIUDPYPRFLFHU-RHSMWYFYSA-N 1 1 360.458 2.434 10 30 FEEEMO Cc1ccc(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3nccc(N)n3)CC2)cn1 ZINC000328629005 553799202 /nfs/dbraw/zinc/79/92/02/553799202.db2.gz HTFKOUFCCNRXFV-MRXNPFEDSA-N 1 1 369.473 2.294 10 30 FEEEMO Cc1ccc(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccc(N)n3)CC2)cn1 ZINC000328629005 553799204 /nfs/dbraw/zinc/79/92/04/553799204.db2.gz HTFKOUFCCNRXFV-MRXNPFEDSA-N 1 1 369.473 2.294 10 30 FEEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CCOC2)[C@@H]1c1cnn(C)c1 ZINC000328633358 553799609 /nfs/dbraw/zinc/79/96/09/553799609.db2.gz SNUZHVLTSIAQIW-XYJFISCASA-N 1 1 363.506 2.075 10 30 FEEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085363 543192855 /nfs/dbraw/zinc/19/28/55/543192855.db2.gz AETCVGZXACEFHW-OAHLLOKOSA-N 1 1 364.453 2.276 10 30 FEEEMO CCn1cnnc1C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000152158475 544620009 /nfs/dbraw/zinc/62/00/09/544620009.db2.gz YVXGILRXGNZBDT-UHFFFAOYSA-N 1 1 358.490 2.162 10 30 FEEEMO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C#N ZINC000119237304 326140432 /nfs/dbraw/zinc/14/04/32/326140432.db2.gz ZWNWUBWCASQNLA-PBHICJAKSA-N 1 1 372.469 2.129 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157749761 545779581 /nfs/dbraw/zinc/77/95/81/545779581.db2.gz IKDBSUNAAPTCIX-MRXNPFEDSA-N 1 1 355.442 2.437 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984021 546289068 /nfs/dbraw/zinc/28/90/68/546289068.db2.gz YLMPZBFELIRVGT-IRXDYDNUSA-N 1 1 363.527 2.058 10 30 FEEEMO C#CCCCNC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192384104 548363509 /nfs/dbraw/zinc/36/35/09/548363509.db2.gz PMMOCJJXGVXQCD-MRXNPFEDSA-N 1 1 351.491 2.237 10 30 FEEEMO C#CCCCNC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192384104 548363511 /nfs/dbraw/zinc/36/35/11/548363511.db2.gz PMMOCJJXGVXQCD-MRXNPFEDSA-N 1 1 351.491 2.237 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1N1CCOCC1 ZINC000245531648 548940660 /nfs/dbraw/zinc/94/06/60/548940660.db2.gz CRSSXGAJPKVETC-CXAGYDPISA-N 1 1 364.287 2.473 10 30 FEEEMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1OCCCC#N ZINC000245801900 548997115 /nfs/dbraw/zinc/99/71/15/548997115.db2.gz XYJOTCNLYYKECM-IRXDYDNUSA-N 1 1 361.486 2.265 10 30 FEEEMO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C#N ZINC000246278918 549094770 /nfs/dbraw/zinc/09/47/70/549094770.db2.gz ZWNWUBWCASQNLA-WMLDXEAASA-N 1 1 372.469 2.129 10 30 FEEEMO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247146865 549290854 /nfs/dbraw/zinc/29/08/54/549290854.db2.gz TYWXXEIKUDUYCT-CABCVRRESA-N 1 1 372.494 2.183 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000247812318 549384056 /nfs/dbraw/zinc/38/40/56/549384056.db2.gz VGMLLRFQYRBGRK-SFHVURJKSA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000247812318 549384060 /nfs/dbraw/zinc/38/40/60/549384060.db2.gz VGMLLRFQYRBGRK-SFHVURJKSA-N 1 1 372.513 2.203 10 30 FEEEMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000046973249 540281225 /nfs/dbraw/zinc/28/12/25/540281225.db2.gz XMCIYNDYFNFVBE-APWZRJJASA-N 1 1 356.470 2.343 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000106074854 543189547 /nfs/dbraw/zinc/18/95/47/543189547.db2.gz IUGRTDZPZVZHMH-UHFFFAOYSA-N 1 1 364.453 2.198 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117955 543202910 /nfs/dbraw/zinc/20/29/10/543202910.db2.gz DSXKPPVMNHENKF-WMZOPIPTSA-N 1 1 358.486 2.318 10 30 FEEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000106181804 543214844 /nfs/dbraw/zinc/21/48/44/543214844.db2.gz JJWBUCCJDCMEFE-SFHVURJKSA-N 1 1 372.517 2.292 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1Cl ZINC000106191103 543215162 /nfs/dbraw/zinc/21/51/62/543215162.db2.gz FWPGOKARHGNHCC-INIZCTEOSA-N 1 1 373.844 2.138 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1Cl ZINC000106191103 543215164 /nfs/dbraw/zinc/21/51/64/543215164.db2.gz FWPGOKARHGNHCC-INIZCTEOSA-N 1 1 373.844 2.138 10 30 FEEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559552 543696399 /nfs/dbraw/zinc/69/63/99/543696399.db2.gz CJSGHIUEVYCCTL-QGZVFWFLSA-N 1 1 353.470 2.419 10 30 FEEEMO C[C@H](C#N)Oc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000121559552 543696405 /nfs/dbraw/zinc/69/64/05/543696405.db2.gz CJSGHIUEVYCCTL-QGZVFWFLSA-N 1 1 353.470 2.419 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C ZINC000152470878 544659144 /nfs/dbraw/zinc/65/91/44/544659144.db2.gz ZQKIJXLSHUARFC-MRXNPFEDSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C ZINC000152470878 544659147 /nfs/dbraw/zinc/65/91/47/544659147.db2.gz ZQKIJXLSHUARFC-MRXNPFEDSA-N 1 1 359.470 2.285 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936733 328347788 /nfs/dbraw/zinc/34/77/88/328347788.db2.gz IINNKTWUYOKFJI-SFHVURJKSA-N 1 1 370.478 2.096 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000152158680 326700333 /nfs/dbraw/zinc/70/03/33/326700333.db2.gz QBXYULXHMSMREY-AWEZNQCLSA-N 1 1 352.442 2.376 10 30 FEEEMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000157470773 326866588 /nfs/dbraw/zinc/86/65/88/326866588.db2.gz YIESHHXVSOUVAP-CQSZACIVSA-N 1 1 374.441 2.104 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180248825 547073216 /nfs/dbraw/zinc/07/32/16/547073216.db2.gz KZUKRVDXTJACOM-UZLBHIALSA-N 1 1 365.481 2.111 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000195296241 548614865 /nfs/dbraw/zinc/61/48/65/548614865.db2.gz UOWKMDHVJMPVEF-INIZCTEOSA-N 1 1 369.494 2.407 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000247587221 549362009 /nfs/dbraw/zinc/36/20/09/549362009.db2.gz JDELENUQEKRQLR-IBGZPJMESA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000247587221 549362011 /nfs/dbraw/zinc/36/20/11/549362011.db2.gz JDELENUQEKRQLR-IBGZPJMESA-N 1 1 372.513 2.203 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249201490 549568572 /nfs/dbraw/zinc/56/85/72/549568572.db2.gz QZLOGYAFIQGSJG-CABCVRRESA-N 1 1 360.845 2.235 10 30 FEEEMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000072866994 541885468 /nfs/dbraw/zinc/88/54/68/541885468.db2.gz FIIBWFJXTJTTKM-RTBURBONSA-N 1 1 354.454 2.230 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000106107886 543198877 /nfs/dbraw/zinc/19/88/77/543198877.db2.gz SYHBZZJCMLESMV-IRXDYDNUSA-N 1 1 365.543 2.304 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000106107886 543198880 /nfs/dbraw/zinc/19/88/80/543198880.db2.gz SYHBZZJCMLESMV-IRXDYDNUSA-N 1 1 365.543 2.304 10 30 FEEEMO Cc1ncc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)s1 ZINC000106091712 543194689 /nfs/dbraw/zinc/19/46/89/543194689.db2.gz IGIKUAYDMDTPOO-UHFFFAOYSA-N 1 1 369.494 2.470 10 30 FEEEMO N#CCCn1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000120969405 543687181 /nfs/dbraw/zinc/68/71/81/543687181.db2.gz JIUOGOFHMWPNDD-HXUWFJFHSA-N 1 1 365.481 2.370 10 30 FEEEMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247530777 549351600 /nfs/dbraw/zinc/35/16/00/549351600.db2.gz ZVJNDZKDCROLMU-VQIMIIECSA-N 1 1 358.486 2.445 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190338700 328201035 /nfs/dbraw/zinc/20/10/35/328201035.db2.gz QZLOGYAFIQGSJG-LSDHHAIUSA-N 1 1 360.845 2.235 10 30 FEEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000171650773 327151493 /nfs/dbraw/zinc/15/14/93/327151493.db2.gz AJNVUCCGZUCOBZ-OALUTQOASA-N 1 1 366.465 2.435 10 30 FEEEMO Cc1cc(C)c(C#N)c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1 ZINC000172756712 327217140 /nfs/dbraw/zinc/21/71/40/327217140.db2.gz XGTPAPMOHXJPHF-SFHVURJKSA-N 1 1 366.465 2.132 10 30 FEEEMO CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C#N)c1CC ZINC000268201990 329396519 /nfs/dbraw/zinc/39/65/19/329396519.db2.gz OOZMPARBLFFTEU-FQEVSTJZSA-N 1 1 365.481 2.329 10 30 FEEEMO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177386810 546607274 /nfs/dbraw/zinc/60/72/74/546607274.db2.gz PUUASXVYVZCEID-OAHLLOKOSA-N 1 1 372.494 2.328 10 30 FEEEMO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177386810 546607279 /nfs/dbraw/zinc/60/72/79/546607279.db2.gz PUUASXVYVZCEID-OAHLLOKOSA-N 1 1 372.494 2.328 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000195301245 548617068 /nfs/dbraw/zinc/61/70/68/548617068.db2.gz UUFZRBVHAPJDLC-IBGZPJMESA-N 1 1 369.513 2.178 10 30 FEEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000246315448 549103328 /nfs/dbraw/zinc/10/33/28/549103328.db2.gz FFKMVRKGOLKVRG-MAUKXSAKSA-N 1 1 372.469 2.153 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000246922139 549242932 /nfs/dbraw/zinc/24/29/32/549242932.db2.gz IADFKOWSFSPCLY-IEBWSBKVSA-N 1 1 371.481 2.386 10 30 FEEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247807416 549383565 /nfs/dbraw/zinc/38/35/65/549383565.db2.gz TUHDYBYLGRYVLZ-CVEARBPZSA-N 1 1 363.527 2.290 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000248503781 549451140 /nfs/dbraw/zinc/45/11/40/549451140.db2.gz VAIZYPXOOAOGBE-KBPBESRZSA-N 1 1 353.875 2.459 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248621702 549469345 /nfs/dbraw/zinc/46/93/45/549469345.db2.gz CXJSBOZVAOYFNS-JKSUJKDBSA-N 1 1 362.470 2.177 10 30 FEEEMO Cc1nc(CN(C)[C@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)no1 ZINC000363628809 555149952 /nfs/dbraw/zinc/14/99/52/555149952.db2.gz XUIGSNWRLONLJW-INIZCTEOSA-N 1 1 350.426 2.209 10 30 FEEEMO Cc1nc(CN(C)[C@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)no1 ZINC000363628809 555149955 /nfs/dbraw/zinc/14/99/55/555149955.db2.gz XUIGSNWRLONLJW-INIZCTEOSA-N 1 1 350.426 2.209 10 30 FEEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2cc(C#N)n(C)c2C)C1 ZINC000886068784 688199307 /nfs/dbraw/zinc/19/93/07/688199307.db2.gz RFLAUEPLEJZSEG-GOSISDBHSA-N 1 1 357.483 2.207 10 30 FEEEMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000072866998 541884495 /nfs/dbraw/zinc/88/44/95/541884495.db2.gz FIIBWFJXTJTTKM-MOPGFXCFSA-N 1 1 354.454 2.230 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000247475070 549339815 /nfs/dbraw/zinc/33/98/15/549339815.db2.gz SAIMKYGKIJXEEG-HKUYNNGSSA-N 1 1 368.481 2.409 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@H]1C ZINC000117287049 543627807 /nfs/dbraw/zinc/62/78/07/543627807.db2.gz QWNDDDANRMHEOC-VQIMIIECSA-N 1 1 359.470 2.141 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@H]1C ZINC000117287049 543627809 /nfs/dbraw/zinc/62/78/09/543627809.db2.gz QWNDDDANRMHEOC-VQIMIIECSA-N 1 1 359.470 2.141 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000127894572 544020441 /nfs/dbraw/zinc/02/04/41/544020441.db2.gz NBDJUOXAMGMAIJ-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000127894572 544020445 /nfs/dbraw/zinc/02/04/45/544020445.db2.gz NBDJUOXAMGMAIJ-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000136813507 544379401 /nfs/dbraw/zinc/37/94/01/544379401.db2.gz BECAHMRDEPGVFX-MRXNPFEDSA-N 1 1 351.406 2.389 10 30 FEEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192264191 328310078 /nfs/dbraw/zinc/31/00/78/328310078.db2.gz BYTZRRGWKNGMCN-UHFFFAOYSA-N 1 1 360.458 2.155 10 30 FEEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000192264191 328310080 /nfs/dbraw/zinc/31/00/80/328310080.db2.gz BYTZRRGWKNGMCN-UHFFFAOYSA-N 1 1 360.458 2.155 10 30 FEEEMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000163522681 327053362 /nfs/dbraw/zinc/05/33/62/327053362.db2.gz LSDPSCQATXERPS-LLVKDONJSA-N 1 1 363.464 2.313 10 30 FEEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1 ZINC000160412537 546039031 /nfs/dbraw/zinc/03/90/31/546039031.db2.gz ZKDWJXIXIUNHGK-UHFFFAOYSA-N 1 1 356.405 2.171 10 30 FEEEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1 ZINC000160412537 546039035 /nfs/dbraw/zinc/03/90/35/546039035.db2.gz ZKDWJXIXIUNHGK-UHFFFAOYSA-N 1 1 356.405 2.171 10 30 FEEEMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177684705 546666801 /nfs/dbraw/zinc/66/68/01/546666801.db2.gz OLCOIZWUIWVFGM-HUUCEWRRSA-N 1 1 372.494 2.326 10 30 FEEEMO Cn1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183257848 547627940 /nfs/dbraw/zinc/62/79/40/547627940.db2.gz RWDLJCQNOMVUIR-QGZVFWFLSA-N 1 1 361.453 2.462 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000184599306 547852105 /nfs/dbraw/zinc/85/21/05/547852105.db2.gz HFHWMQSPFNXGMF-MRXNPFEDSA-N 1 1 358.442 2.285 10 30 FEEEMO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000246061259 549042992 /nfs/dbraw/zinc/04/29/92/549042992.db2.gz AJNVUCCGZUCOBZ-RTBURBONSA-N 1 1 366.465 2.435 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1C ZINC000247166983 549293960 /nfs/dbraw/zinc/29/39/60/549293960.db2.gz QWNDDDANRMHEOC-LPHOPBHVSA-N 1 1 359.470 2.141 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1C ZINC000247166983 549293962 /nfs/dbraw/zinc/29/39/62/549293962.db2.gz QWNDDDANRMHEOC-LPHOPBHVSA-N 1 1 359.470 2.141 10 30 FEEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1cccc(C#N)c1 ZINC000284565519 551578692 /nfs/dbraw/zinc/57/86/92/551578692.db2.gz JPRWTNIWMDOCAC-PKOBYXMFSA-N 1 1 351.454 2.447 10 30 FEEEMO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)NCc2ccccc2)CC1 ZINC000328640870 553800981 /nfs/dbraw/zinc/80/09/81/553800981.db2.gz QHFZRSDQARZNHQ-QGZVFWFLSA-N 1 1 368.485 2.459 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)NCc2ccccc2)CC1 ZINC000328640870 553800982 /nfs/dbraw/zinc/80/09/82/553800982.db2.gz QHFZRSDQARZNHQ-QGZVFWFLSA-N 1 1 368.485 2.459 10 30 FEEEMO Cc1cc(N2CCC[C@@H]([N@@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1 ZINC000328651467 553802479 /nfs/dbraw/zinc/80/24/79/553802479.db2.gz VXRKVAJOBBIXCK-MRXNPFEDSA-N 1 1 365.485 2.433 10 30 FEEEMO C=C(Br)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000105453198 670801296 /nfs/dbraw/zinc/80/12/96/670801296.db2.gz ZTMIDSBDHSHOOW-UHFFFAOYSA-N 1 1 357.296 2.378 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000103476598 543110006 /nfs/dbraw/zinc/11/00/06/543110006.db2.gz LDTVAALNSITMCV-INIZCTEOSA-N 1 1 352.442 2.378 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nn1 ZINC000106072682 543190203 /nfs/dbraw/zinc/19/02/03/543190203.db2.gz SDOCKKQESMZQLE-KRWDZBQOSA-N 1 1 370.501 2.028 10 30 FEEEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nn1 ZINC000106072682 543190206 /nfs/dbraw/zinc/19/02/06/543190206.db2.gz SDOCKKQESMZQLE-KRWDZBQOSA-N 1 1 370.501 2.028 10 30 FEEEMO CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000106114420 543201401 /nfs/dbraw/zinc/20/14/01/543201401.db2.gz BEESZBJYQIHXLI-RBUKOAKNSA-N 1 1 372.513 2.364 10 30 FEEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174137 543212762 /nfs/dbraw/zinc/21/27/62/543212762.db2.gz JXCCMIFHRVDDNG-HNNXBMFYSA-N 1 1 370.482 2.244 10 30 FEEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174137 543212765 /nfs/dbraw/zinc/21/27/65/543212765.db2.gz JXCCMIFHRVDDNG-HNNXBMFYSA-N 1 1 370.482 2.244 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)cc1OC ZINC000117305212 543628954 /nfs/dbraw/zinc/62/89/54/543628954.db2.gz HQQYWJWJJWZSKP-KRWDZBQOSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)cc1OC ZINC000117305212 543628958 /nfs/dbraw/zinc/62/89/58/543628958.db2.gz HQQYWJWJJWZSKP-KRWDZBQOSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)cc1 ZINC000117446872 543632378 /nfs/dbraw/zinc/63/23/78/543632378.db2.gz SJSJNWGLJCNHKC-MRXNPFEDSA-N 1 1 374.485 2.177 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)cc1 ZINC000117446872 543632381 /nfs/dbraw/zinc/63/23/81/543632381.db2.gz SJSJNWGLJCNHKC-MRXNPFEDSA-N 1 1 374.485 2.177 10 30 FEEEMO C=CCOc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120477397 543680612 /nfs/dbraw/zinc/68/06/12/543680612.db2.gz QVXABHMYYCHREC-UHFFFAOYSA-N 1 1 350.426 2.011 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245933 328137169 /nfs/dbraw/zinc/13/71/69/328137169.db2.gz AHBUTDLADQLYHV-MRXNPFEDSA-N 1 1 350.422 2.253 10 30 FEEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082801 325577475 /nfs/dbraw/zinc/57/74/75/325577475.db2.gz BQEIMNLNKOKHSX-CQSZACIVSA-N 1 1 350.426 2.252 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000117294375 326055858 /nfs/dbraw/zinc/05/58/58/326055858.db2.gz VWQZJCCTGBMEPM-QGZVFWFLSA-N 1 1 359.470 2.286 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000117294375 326055860 /nfs/dbraw/zinc/05/58/60/326055860.db2.gz VWQZJCCTGBMEPM-QGZVFWFLSA-N 1 1 359.470 2.286 10 30 FEEEMO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C#N)c1CC ZINC000268201993 329396489 /nfs/dbraw/zinc/39/64/89/329396489.db2.gz OOZMPARBLFFTEU-HXUWFJFHSA-N 1 1 365.481 2.329 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157550683 545752768 /nfs/dbraw/zinc/75/27/68/545752768.db2.gz OIMSMZWRLGSOPI-BXUZGUMPSA-N 1 1 373.400 2.434 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000171405766 546206882 /nfs/dbraw/zinc/20/68/82/546206882.db2.gz FUVKMAMRRYBNJB-GOEBONIOSA-N 1 1 359.474 2.364 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000171405766 546206884 /nfs/dbraw/zinc/20/68/84/546206884.db2.gz FUVKMAMRRYBNJB-GOEBONIOSA-N 1 1 359.474 2.364 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174968927 546305321 /nfs/dbraw/zinc/30/53/21/546305321.db2.gz RKFHLWIFVJHWMB-QZTJIDSGSA-N 1 1 357.502 2.431 10 30 FEEEMO CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000180099634 547051510 /nfs/dbraw/zinc/05/15/10/547051510.db2.gz XNYHMSDSCQMUBW-OXQOHEQNSA-N 1 1 367.497 2.236 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180248844 547073242 /nfs/dbraw/zinc/07/32/42/547073242.db2.gz KZUKRVDXTJACOM-JXFKEZNVSA-N 1 1 365.481 2.111 10 30 FEEEMO C=CCCC[C@H](C)NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000181095923 547249957 /nfs/dbraw/zinc/24/99/57/547249957.db2.gz SRJPRDKZCIAGOW-RBUKOAKNSA-N 1 1 366.550 2.168 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377595 548632422 /nfs/dbraw/zinc/63/24/22/548632422.db2.gz WYMZVBXFDMJNBG-STQMWFEESA-N 1 1 350.488 2.285 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377595 548632427 /nfs/dbraw/zinc/63/24/27/548632427.db2.gz WYMZVBXFDMJNBG-STQMWFEESA-N 1 1 350.488 2.285 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000246922154 549243345 /nfs/dbraw/zinc/24/33/45/549243345.db2.gz IADFKOWSFSPCLY-PKOBYXMFSA-N 1 1 371.481 2.386 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000247334857 549320014 /nfs/dbraw/zinc/32/00/14/549320014.db2.gz NDWLQARUZNNPIH-CRAIPNDOSA-N 1 1 373.476 2.258 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000249913814 549634935 /nfs/dbraw/zinc/63/49/35/549634935.db2.gz WYMZVBXFDMJNBG-OLZOCXBDSA-N 1 1 350.488 2.285 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000249913814 549634942 /nfs/dbraw/zinc/63/49/42/549634942.db2.gz WYMZVBXFDMJNBG-OLZOCXBDSA-N 1 1 350.488 2.285 10 30 FEEEMO COc1cc(C[N@H+]2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N ZINC000285617076 551783801 /nfs/dbraw/zinc/78/38/01/551783801.db2.gz VSHGFHOVTKCZRT-IBGZPJMESA-N 1 1 355.442 2.223 10 30 FEEEMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000329084700 553877489 /nfs/dbraw/zinc/87/74/89/553877489.db2.gz TXTNEAZKDASNKD-QYZOEREBSA-N 1 1 361.486 2.126 10 30 FEEEMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000329084700 553877491 /nfs/dbraw/zinc/87/74/91/553877491.db2.gz TXTNEAZKDASNKD-QYZOEREBSA-N 1 1 361.486 2.126 10 30 FEEEMO COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000030726903 560090803 /nfs/dbraw/zinc/09/08/03/560090803.db2.gz DXUSNRCTWFHYFS-LEWJYISDSA-N 1 1 373.449 2.439 10 30 biogenic,in-vitro FEEEMO COc1ccc2c(c1OC)[C@@]13CC[N@H+](C)[C@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000030726903 560090804 /nfs/dbraw/zinc/09/08/04/560090804.db2.gz DXUSNRCTWFHYFS-LEWJYISDSA-N 1 1 373.449 2.439 10 30 biogenic,in-vitro FEEEMO C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310761 539989173 /nfs/dbraw/zinc/98/91/73/539989173.db2.gz CCJDMKOGRUOSJM-GOSISDBHSA-N 1 1 362.518 2.071 10 30 FEEEMO COc1ccc2c(c1O)[C@]13CC[N@@H+](C)[C@@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000015267745 291050755 /nfs/dbraw/zinc/05/07/55/291050755.db2.gz XLWYWPDYNLZUJS-UXHICEINSA-N 1 1 359.422 2.136 10 30 biogenic,in-vitro FEEEMO COc1ccc2c(c1O)[C@]13CC[N@H+](C)[C@@]1(CC2)C(OC)=C(OC)C(=O)C3 ZINC000015267745 291050756 /nfs/dbraw/zinc/05/07/56/291050756.db2.gz XLWYWPDYNLZUJS-UXHICEINSA-N 1 1 359.422 2.136 10 30 biogenic,in-vitro FEEEMO NC(=O)C[NH+]1CCC(C(=O)N(CC#Cc2ccccc2)C2CCCC2)CC1 ZINC000055211304 540636308 /nfs/dbraw/zinc/63/63/08/540636308.db2.gz XSRXLPKJGWPRHQ-UHFFFAOYSA-N 1 1 367.493 2.007 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000106072522 543190148 /nfs/dbraw/zinc/19/01/48/543190148.db2.gz CXQGLZARQCXDFY-UHFFFAOYSA-N 1 1 364.453 2.198 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000106107523 543198849 /nfs/dbraw/zinc/19/88/49/543198849.db2.gz VGMLLRFQYRBGRK-GOSISDBHSA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000106107523 543198852 /nfs/dbraw/zinc/19/88/52/543198852.db2.gz VGMLLRFQYRBGRK-GOSISDBHSA-N 1 1 372.513 2.203 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106172902 543212085 /nfs/dbraw/zinc/21/20/85/543212085.db2.gz ZVDCZJVLMKZZHZ-NNVNDSJASA-N 1 1 372.517 2.309 10 30 FEEEMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127792933 544014229 /nfs/dbraw/zinc/01/42/29/544014229.db2.gz IUIFUUQOPQCILM-ZDUSSCGKSA-N 1 1 350.488 2.458 10 30 FEEEMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127792933 544014232 /nfs/dbraw/zinc/01/42/32/544014232.db2.gz IUIFUUQOPQCILM-ZDUSSCGKSA-N 1 1 350.488 2.458 10 30 FEEEMO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000153972730 544847138 /nfs/dbraw/zinc/84/71/38/544847138.db2.gz XQUIVDHZERGCKP-QGZVFWFLSA-N 1 1 354.458 2.399 10 30 FEEEMO N#Cc1ccc(OCC[C@@H]2CO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]23)nc1 ZINC000503716078 263668165 /nfs/dbraw/zinc/66/81/65/263668165.db2.gz KBRDTIYUKFELQY-CEXWTWQISA-N 1 1 357.454 2.096 10 30 FEEEMO N#Cc1cc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)ccc1F ZINC000120153187 326235333 /nfs/dbraw/zinc/23/53/33/326235333.db2.gz YPQFCONPZGWHGI-IBGZPJMESA-N 1 1 369.440 2.255 10 30 FEEEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561785 549357705 /nfs/dbraw/zinc/35/77/05/549357705.db2.gz GDUZWOLIGDLEPW-QZTJIDSGSA-N 1 1 354.454 2.394 10 30 FEEEMO CCOc1ccnc(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000156196358 545606504 /nfs/dbraw/zinc/60/65/04/545606504.db2.gz GTKWYIHYWJHXTA-UHFFFAOYSA-N 1 1 367.453 2.338 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984035 546289273 /nfs/dbraw/zinc/28/92/73/546289273.db2.gz YLMPZBFELIRVGT-SJORKVTESA-N 1 1 363.527 2.058 10 30 FEEEMO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000177658698 546662028 /nfs/dbraw/zinc/66/20/28/546662028.db2.gz VEMOMZYRFYDCNQ-KRWDZBQOSA-N 1 1 350.422 2.229 10 30 FEEEMO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177686774 546667221 /nfs/dbraw/zinc/66/72/21/546667221.db2.gz TYWXXEIKUDUYCT-LSDHHAIUSA-N 1 1 372.494 2.183 10 30 FEEEMO C=CCCC[C@H](C)NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000181095940 547249696 /nfs/dbraw/zinc/24/96/96/547249696.db2.gz SRJPRDKZCIAGOW-OALUTQOASA-N 1 1 366.550 2.168 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000190339618 548323850 /nfs/dbraw/zinc/32/38/50/548323850.db2.gz CNSLONOXIJITCI-IAGOWNOFSA-N 1 1 357.454 2.275 10 30 FEEEMO CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O ZINC000246716919 549194950 /nfs/dbraw/zinc/19/49/50/549194950.db2.gz DFFRYIWVDNQXHQ-PKOBYXMFSA-N 1 1 373.497 2.411 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H]1C ZINC000329714569 673082152 /nfs/dbraw/zinc/08/21/52/673082152.db2.gz TVOQDWXRNDKYNC-SQWLQELKSA-N 1 1 354.495 2.087 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H]1C ZINC000329714569 673082159 /nfs/dbraw/zinc/08/21/59/673082159.db2.gz TVOQDWXRNDKYNC-SQWLQELKSA-N 1 1 354.495 2.087 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000066835469 541377626 /nfs/dbraw/zinc/37/76/26/541377626.db2.gz NCUOOSFONPDRFG-QGZVFWFLSA-N 1 1 357.454 2.435 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000066835469 541377630 /nfs/dbraw/zinc/37/76/30/541377630.db2.gz NCUOOSFONPDRFG-QGZVFWFLSA-N 1 1 357.454 2.435 10 30 FEEEMO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@H+](C)CCCC)C2 ZINC000014539986 220125977 /nfs/dbraw/zinc/12/59/77/220125977.db2.gz OLPDYQJEEHTXLI-INIZCTEOSA-N 1 1 360.502 2.131 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000103477894 543110873 /nfs/dbraw/zinc/11/08/73/543110873.db2.gz FUKBZQTYZWYENV-GOEBONIOSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000103477894 543110875 /nfs/dbraw/zinc/11/08/75/543110875.db2.gz FUKBZQTYZWYENV-GOEBONIOSA-N 1 1 352.442 2.376 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CC ZINC000106117728 543202812 /nfs/dbraw/zinc/20/28/12/543202812.db2.gz QKEFCXYKZKCHDH-UYAOXDASSA-N 1 1 370.497 2.096 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1CC ZINC000106119855 543203979 /nfs/dbraw/zinc/20/39/79/543203979.db2.gz JBPLXFPZGPUYFP-GOSISDBHSA-N 1 1 364.534 2.104 10 30 FEEEMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174027 543212678 /nfs/dbraw/zinc/21/26/78/543212678.db2.gz WMXGMXCAKTYBPY-ZDUSSCGKSA-N 1 1 358.833 2.154 10 30 FEEEMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174027 543212679 /nfs/dbraw/zinc/21/26/79/543212679.db2.gz WMXGMXCAKTYBPY-ZDUSSCGKSA-N 1 1 358.833 2.154 10 30 FEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106180682 543214731 /nfs/dbraw/zinc/21/47/31/543214731.db2.gz OPZHUIGEMQBNAJ-QGZVFWFLSA-N 1 1 352.442 2.117 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)n1 ZINC000106203991 543218295 /nfs/dbraw/zinc/21/82/95/543218295.db2.gz UNPXEUFSBIXRGX-LJQANCHMSA-N 1 1 367.453 2.101 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)n1 ZINC000106203991 543218297 /nfs/dbraw/zinc/21/82/97/543218297.db2.gz UNPXEUFSBIXRGX-LJQANCHMSA-N 1 1 367.453 2.101 10 30 FEEEMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215045 543218300 /nfs/dbraw/zinc/21/83/00/543218300.db2.gz GDUZWOLIGDLEPW-ROUUACIJSA-N 1 1 354.454 2.394 10 30 FEEEMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OCCCC#N ZINC000120656361 543683297 /nfs/dbraw/zinc/68/32/97/543683297.db2.gz XYJOTCNLYYKECM-DLBZAZTESA-N 1 1 361.486 2.265 10 30 FEEEMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121583648 543696985 /nfs/dbraw/zinc/69/69/85/543696985.db2.gz SGUGRRKGYAFTEJ-UHFFFAOYSA-N 1 1 366.513 2.478 10 30 FEEEMO CC[C@@H](O)C[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000118858038 543660022 /nfs/dbraw/zinc/66/00/22/543660022.db2.gz MIFXPHKNXQXLPE-QGZVFWFLSA-N 1 1 368.481 2.126 10 30 FEEEMO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)n1 ZINC000096073875 222011963 /nfs/dbraw/zinc/01/19/63/222011963.db2.gz JIVGPDPNHXKAGG-AZUAARDMSA-N 1 1 356.470 2.415 10 30 FEEEMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000132403434 544230444 /nfs/dbraw/zinc/23/04/44/544230444.db2.gz ZVJNDZKDCROLMU-APWZRJJASA-N 1 1 358.486 2.445 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936747 328347797 /nfs/dbraw/zinc/34/77/97/328347797.db2.gz IINNKTWUYOKFJI-GOSISDBHSA-N 1 1 370.478 2.096 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000119520783 326171123 /nfs/dbraw/zinc/17/11/23/326171123.db2.gz NDWJZOOLUIUUPP-GOSISDBHSA-N 1 1 366.469 2.176 10 30 FEEEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000120504210 326264309 /nfs/dbraw/zinc/26/43/09/326264309.db2.gz FOOZDBNQEFMTTF-INIZCTEOSA-N 1 1 360.458 2.266 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195056178 548570381 /nfs/dbraw/zinc/57/03/81/548570381.db2.gz NOJCDFNMEATPDZ-QGZVFWFLSA-N 1 1 357.454 2.423 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245513680 548937489 /nfs/dbraw/zinc/93/74/89/548937489.db2.gz APVWAKUKFWKAPS-XLIONFOSSA-N 1 1 370.497 2.096 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245513680 548937492 /nfs/dbraw/zinc/93/74/92/548937492.db2.gz APVWAKUKFWKAPS-XLIONFOSSA-N 1 1 370.497 2.096 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000245840151 549000947 /nfs/dbraw/zinc/00/09/47/549000947.db2.gz FUVKMAMRRYBNJB-GDBMZVCRSA-N 1 1 359.474 2.364 10 30 FEEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000245840151 549000952 /nfs/dbraw/zinc/00/09/52/549000952.db2.gz FUVKMAMRRYBNJB-GDBMZVCRSA-N 1 1 359.474 2.364 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246195065 549075244 /nfs/dbraw/zinc/07/52/44/549075244.db2.gz OIMSMZWRLGSOPI-FZMZJTMJSA-N 1 1 373.400 2.434 10 30 FEEEMO COCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000252353156 549664230 /nfs/dbraw/zinc/66/42/30/549664230.db2.gz SAKSCBCQKZGQMZ-ZIAGYGMSSA-N 1 1 364.877 2.191 10 30 FEEEMO COCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000252353156 549664236 /nfs/dbraw/zinc/66/42/36/549664236.db2.gz SAKSCBCQKZGQMZ-ZIAGYGMSSA-N 1 1 364.877 2.191 10 30 FEEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084239 543193349 /nfs/dbraw/zinc/19/33/49/543193349.db2.gz HSVHGIWYHNCHIA-MRXNPFEDSA-N 1 1 370.501 2.108 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109657187 543332194 /nfs/dbraw/zinc/33/21/94/543332194.db2.gz MEEQLTDRVODSCK-UHFFFAOYSA-N 1 1 354.454 2.333 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109657187 543332197 /nfs/dbraw/zinc/33/21/97/543332197.db2.gz MEEQLTDRVODSCK-UHFFFAOYSA-N 1 1 354.454 2.333 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1C ZINC000152470756 544658715 /nfs/dbraw/zinc/65/87/15/544658715.db2.gz ZQKIJXLSHUARFC-INIZCTEOSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1C ZINC000152470756 544658720 /nfs/dbraw/zinc/65/87/20/544658720.db2.gz ZQKIJXLSHUARFC-INIZCTEOSA-N 1 1 359.470 2.285 10 30 FEEEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548767 328215368 /nfs/dbraw/zinc/21/53/68/328215368.db2.gz LORUSBQYJNFMNI-AWEZNQCLSA-N 1 1 357.483 2.256 10 30 FEEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085361 325578414 /nfs/dbraw/zinc/57/84/14/325578414.db2.gz AETCVGZXACEFHW-HNNXBMFYSA-N 1 1 364.453 2.276 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000117306108 326056260 /nfs/dbraw/zinc/05/62/60/326056260.db2.gz AHTHSBHTUHOIOV-GOSISDBHSA-N 1 1 361.511 2.361 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000117306108 326056262 /nfs/dbraw/zinc/05/62/62/326056262.db2.gz AHTHSBHTUHOIOV-GOSISDBHSA-N 1 1 361.511 2.361 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000178517296 327589825 /nfs/dbraw/zinc/58/98/25/327589825.db2.gz IFOVDKVCHWVQNX-MRXNPFEDSA-N 1 1 365.437 2.428 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247560290 549357543 /nfs/dbraw/zinc/35/75/43/549357543.db2.gz ZYZUOHWZWXIDID-RDJZCZTQSA-N 1 1 357.454 2.421 10 30 FEEEMO CCOCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1CC ZINC000157956813 545804891 /nfs/dbraw/zinc/80/48/91/545804891.db2.gz RIRCBOHAGAVFCM-GOSISDBHSA-N 1 1 361.486 2.378 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000176348374 546434558 /nfs/dbraw/zinc/43/45/58/546434558.db2.gz DDVVIMFSBJQSMW-KRWDZBQOSA-N 1 1 353.426 2.316 10 30 FEEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192103106 548358042 /nfs/dbraw/zinc/35/80/42/548358042.db2.gz CCFLDTHTFIJDKH-UHFFFAOYSA-N 1 1 372.469 2.221 10 30 FEEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192103106 548358044 /nfs/dbraw/zinc/35/80/44/548358044.db2.gz CCFLDTHTFIJDKH-UHFFFAOYSA-N 1 1 372.469 2.221 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246824652 549221964 /nfs/dbraw/zinc/22/19/64/549221964.db2.gz NWXNKRXICZFXTD-CJNGLKHVSA-N 1 1 361.417 2.263 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246824652 549221971 /nfs/dbraw/zinc/22/19/71/549221971.db2.gz NWXNKRXICZFXTD-CJNGLKHVSA-N 1 1 361.417 2.263 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000248837422 549510528 /nfs/dbraw/zinc/51/05/28/549510528.db2.gz HCWWPDRSINBKLR-IRXDYDNUSA-N 1 1 371.485 2.156 10 30 FEEEMO CC(C)n1cc([C@]2(O)CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)nn1 ZINC000284528233 551570128 /nfs/dbraw/zinc/57/01/28/551570128.db2.gz FYVQQCVTJUVESB-IBGZPJMESA-N 1 1 355.442 2.093 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248142590 672854077 /nfs/dbraw/zinc/85/40/77/672854077.db2.gz YVOMSKFGCUYTSW-IUODEOHRSA-N 1 1 351.834 2.193 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248142590 672854084 /nfs/dbraw/zinc/85/40/84/672854084.db2.gz YVOMSKFGCUYTSW-IUODEOHRSA-N 1 1 351.834 2.193 10 30 FEEEMO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1CCOC ZINC000106114769 543201376 /nfs/dbraw/zinc/20/13/76/543201376.db2.gz YQPVAUCKWWACND-INIZCTEOSA-N 1 1 364.877 2.193 10 30 FEEEMO CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000106114274 543202011 /nfs/dbraw/zinc/20/20/11/543202011.db2.gz DTJDFVIJBSENTE-GOEBONIOSA-N 1 1 362.474 2.138 10 30 FEEEMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1Cl ZINC000106176553 543213435 /nfs/dbraw/zinc/21/34/35/543213435.db2.gz YEKSNVFDHDLDIL-CYBMUJFWSA-N 1 1 358.833 2.154 10 30 FEEEMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1Cl ZINC000106176553 543213437 /nfs/dbraw/zinc/21/34/37/543213437.db2.gz YEKSNVFDHDLDIL-CYBMUJFWSA-N 1 1 358.833 2.154 10 30 FEEEMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116309702 543606673 /nfs/dbraw/zinc/60/66/73/543606673.db2.gz IADFKOWSFSPCLY-MJGOQNOKSA-N 1 1 371.481 2.386 10 30 FEEEMO C#Cc1cccc(NCC(=O)N[C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000116450216 543608873 /nfs/dbraw/zinc/60/88/73/543608873.db2.gz RXOORJABMFCSDE-QGZVFWFLSA-N 1 1 374.448 2.136 10 30 FEEEMO Cc1noc([C@@H](C)N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000106135398 325585473 /nfs/dbraw/zinc/58/54/73/325585473.db2.gz AZFCOMNXSKFKBK-GFCCVEGCSA-N 1 1 374.470 2.019 10 30 FEEEMO N#Cc1ccc(F)c(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000106205083 325591164 /nfs/dbraw/zinc/59/11/64/325591164.db2.gz BBDUWHBMRABCQU-IBGZPJMESA-N 1 1 369.440 2.255 10 30 FEEEMO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000171650775 327151631 /nfs/dbraw/zinc/15/16/31/327151631.db2.gz AJNVUCCGZUCOBZ-MOPGFXCFSA-N 1 1 366.465 2.435 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000247548331 549355639 /nfs/dbraw/zinc/35/56/39/549355639.db2.gz DSXKPPVMNHENKF-AEFFLSMTSA-N 1 1 358.486 2.318 10 30 FEEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247557448 549356088 /nfs/dbraw/zinc/35/60/88/549356088.db2.gz FRMCDLJLHLQPDE-WBVHZDCISA-N 1 1 364.453 2.276 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000171405762 546207231 /nfs/dbraw/zinc/20/72/31/546207231.db2.gz FUVKMAMRRYBNJB-HOCLYGCPSA-N 1 1 359.474 2.364 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000171405762 546207234 /nfs/dbraw/zinc/20/72/34/546207234.db2.gz FUVKMAMRRYBNJB-HOCLYGCPSA-N 1 1 359.474 2.364 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171701260 546219895 /nfs/dbraw/zinc/21/98/95/546219895.db2.gz MHDMTFRQTMAKJB-AEFFLSMTSA-N 1 1 352.442 2.250 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171701260 546219900 /nfs/dbraw/zinc/21/99/00/546219900.db2.gz MHDMTFRQTMAKJB-AEFFLSMTSA-N 1 1 352.442 2.250 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600192 547852166 /nfs/dbraw/zinc/85/21/66/547852166.db2.gz IJEGOVYOBNWDHP-MRXNPFEDSA-N 1 1 353.430 2.087 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184963584 547908471 /nfs/dbraw/zinc/90/84/71/547908471.db2.gz VAIZYPXOOAOGBE-ZIAGYGMSSA-N 1 1 353.875 2.459 10 30 FEEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194349305 548469529 /nfs/dbraw/zinc/46/95/29/548469529.db2.gz BZGHLEYBILKZKG-UHFFFAOYSA-N 1 1 372.469 2.221 10 30 FEEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194349305 548469534 /nfs/dbraw/zinc/46/95/34/548469534.db2.gz BZGHLEYBILKZKG-UHFFFAOYSA-N 1 1 372.469 2.221 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC ZINC000246410038 549126991 /nfs/dbraw/zinc/12/69/91/549126991.db2.gz JWXMWCZIGJBBFK-RTBURBONSA-N 1 1 359.470 2.205 10 30 FEEEMO N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)C2=O)cc1 ZINC000249544724 549602334 /nfs/dbraw/zinc/60/23/34/549602334.db2.gz FXXILOMEKVWONP-WDSOQIARSA-N 1 1 367.474 2.433 10 30 FEEEMO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379689905 558602719 /nfs/dbraw/zinc/60/27/19/558602719.db2.gz AJXZVPFDNPHTFZ-KRWDZBQOSA-N 1 1 370.478 2.286 10 30 FEEEMO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379689905 558602721 /nfs/dbraw/zinc/60/27/21/558602721.db2.gz AJXZVPFDNPHTFZ-KRWDZBQOSA-N 1 1 370.478 2.286 10 30 FEEEMO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248816087 672863561 /nfs/dbraw/zinc/86/35/61/672863561.db2.gz ALVDGQFGJYNDMK-BZUAXINKSA-N 1 1 356.388 2.350 10 30 FEEEMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000106128729 543206123 /nfs/dbraw/zinc/20/61/23/543206123.db2.gz FXSNQYUMPRRHQA-UHFFFAOYSA-N 1 1 353.470 2.230 10 30 FEEEMO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000136850439 544380289 /nfs/dbraw/zinc/38/02/89/544380289.db2.gz VTINMDHYLBBRAQ-UHFFFAOYSA-N 1 1 352.442 2.340 10 30 FEEEMO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000136850439 544380291 /nfs/dbraw/zinc/38/02/91/544380291.db2.gz VTINMDHYLBBRAQ-UHFFFAOYSA-N 1 1 352.442 2.340 10 30 FEEEMO Cn1cc(C#N)cc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192159824 328303799 /nfs/dbraw/zinc/30/37/99/328303799.db2.gz FDRNDXNLEUKQNR-INIZCTEOSA-N 1 1 374.485 2.165 10 30 FEEEMO Cn1cc(C#N)cc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192159824 328303800 /nfs/dbraw/zinc/30/38/00/328303800.db2.gz FDRNDXNLEUKQNR-INIZCTEOSA-N 1 1 374.485 2.165 10 30 FEEEMO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177874132 546700362 /nfs/dbraw/zinc/70/03/62/546700362.db2.gz KPAPOBODTJPXSD-PBHICJAKSA-N 1 1 361.417 2.022 10 30 FEEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935122 548376588 /nfs/dbraw/zinc/37/65/88/548376588.db2.gz MOXGPRYOQDGTHS-HNNXBMFYSA-N 1 1 370.544 2.229 10 30 FEEEMO CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000246720434 549195479 /nfs/dbraw/zinc/19/54/79/549195479.db2.gz DOTSPLWZKIGEEJ-ILZDJORESA-N 1 1 373.497 2.265 10 30 FEEEMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC(=O)N1C1CC1 ZINC000499789497 561558672 /nfs/dbraw/zinc/55/86/72/561558672.db2.gz APJFDEHEGLZCLZ-VQIMIIECSA-N 1 1 353.401 2.025 10 30 FEEEMO CCc1nnc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C#N)c1CC ZINC000301625125 553666745 /nfs/dbraw/zinc/66/67/45/553666745.db2.gz POWWMNGGSUTJAQ-KRWDZBQOSA-N 1 1 365.481 2.304 10 30 FEEEMO C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329267514 553914209 /nfs/dbraw/zinc/91/42/09/553914209.db2.gz HTMDZQIEQASXGH-HDEZJCGLSA-N 1 1 351.491 2.232 10 30 FEEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2cc(C#N)n(C)c2C)C1 ZINC000886068787 688199324 /nfs/dbraw/zinc/19/93/24/688199324.db2.gz RFLAUEPLEJZSEG-SFHVURJKSA-N 1 1 357.483 2.207 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)nn1 ZINC000106074755 543189728 /nfs/dbraw/zinc/18/97/28/543189728.db2.gz JDPALOPETYYUES-UHFFFAOYSA-N 1 1 364.453 2.198 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106098677 543195289 /nfs/dbraw/zinc/19/52/89/543195289.db2.gz DZUCRHIVSKOANZ-ZACQAIPSSA-N 1 1 365.543 2.038 10 30 FEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000106179214 543213570 /nfs/dbraw/zinc/21/35/70/543213570.db2.gz LCFZHMFLOWTYTN-CQSZACIVSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000106179214 543213572 /nfs/dbraw/zinc/21/35/72/543213572.db2.gz LCFZHMFLOWTYTN-CQSZACIVSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000106208689 543217995 /nfs/dbraw/zinc/21/79/95/543217995.db2.gz RAWFCMVFZQMZGT-HKUYNNGSSA-N 1 1 354.454 2.485 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113227117 543478021 /nfs/dbraw/zinc/47/80/21/543478021.db2.gz SAIMKYGKIJXEEG-IEBWSBKVSA-N 1 1 368.481 2.409 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113227467 543478609 /nfs/dbraw/zinc/47/86/09/543478609.db2.gz ZYZUOHWZWXIDID-DOTOQJQBSA-N 1 1 357.454 2.421 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)cc1 ZINC000117446867 543632676 /nfs/dbraw/zinc/63/26/76/543632676.db2.gz SJSJNWGLJCNHKC-INIZCTEOSA-N 1 1 374.485 2.177 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)cc1 ZINC000117446867 543632678 /nfs/dbraw/zinc/63/26/78/543632678.db2.gz SJSJNWGLJCNHKC-INIZCTEOSA-N 1 1 374.485 2.177 10 30 FEEEMO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461620 543707102 /nfs/dbraw/zinc/70/71/02/543707102.db2.gz YGHMIXFCYKJIOI-FQEVSTJZSA-N 1 1 353.470 2.442 10 30 FEEEMO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461620 543707105 /nfs/dbraw/zinc/70/71/05/543707105.db2.gz YGHMIXFCYKJIOI-FQEVSTJZSA-N 1 1 353.470 2.442 10 30 FEEEMO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)n1 ZINC000096073874 222012720 /nfs/dbraw/zinc/01/27/20/222012720.db2.gz JIVGPDPNHXKAGG-UYAOXDASSA-N 1 1 356.470 2.415 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193415135 328374095 /nfs/dbraw/zinc/37/40/95/328374095.db2.gz OMRWEYZCTNGDOX-JKSUJKDBSA-N 1 1 371.485 2.138 10 30 FEEEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820699 328397136 /nfs/dbraw/zinc/39/71/36/328397136.db2.gz NAXZUYBHRBFXGV-LBPRGKRZSA-N 1 1 361.389 2.340 10 30 FEEEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173682032 327276160 /nfs/dbraw/zinc/27/61/60/327276160.db2.gz JGWRMPHGMDLERZ-HNNXBMFYSA-N 1 1 369.469 2.133 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000246762122 549206832 /nfs/dbraw/zinc/20/68/32/549206832.db2.gz QTIRAXRWEJIXQM-RZQQEMMASA-N 1 1 374.387 2.384 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000246762122 549206835 /nfs/dbraw/zinc/20/68/35/549206835.db2.gz QTIRAXRWEJIXQM-RZQQEMMASA-N 1 1 374.387 2.384 10 30 FEEEMO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301806235 553681145 /nfs/dbraw/zinc/68/11/45/553681145.db2.gz YOJNXIDTSCOUAY-ZDUSSCGKSA-N 1 1 359.380 2.120 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000106098618 543195716 /nfs/dbraw/zinc/19/57/16/543195716.db2.gz QMYCVCHYIWFGFU-QRVBRYPASA-N 1 1 372.513 2.017 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117614 543202398 /nfs/dbraw/zinc/20/23/98/543202398.db2.gz TYRQJYXDDXYKJX-GOSISDBHSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117614 543202401 /nfs/dbraw/zinc/20/24/01/543202401.db2.gz TYRQJYXDDXYKJX-GOSISDBHSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117614 543202404 /nfs/dbraw/zinc/20/24/04/543202404.db2.gz TYRQJYXDDXYKJX-GOSISDBHSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC ZINC000106120147 543203668 /nfs/dbraw/zinc/20/36/68/543203668.db2.gz NVIRQZMBRAREGJ-IBGZPJMESA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC ZINC000106120147 543203669 /nfs/dbraw/zinc/20/36/69/543203669.db2.gz NVIRQZMBRAREGJ-IBGZPJMESA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC ZINC000106120147 543203671 /nfs/dbraw/zinc/20/36/71/543203671.db2.gz NVIRQZMBRAREGJ-IBGZPJMESA-N 1 1 358.486 2.320 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175006863 327367482 /nfs/dbraw/zinc/36/74/82/327367482.db2.gz FSRVWPIWZRYEFI-HUUCEWRRSA-N 1 1 360.845 2.235 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000176348393 546434474 /nfs/dbraw/zinc/43/44/74/546434474.db2.gz DDVVIMFSBJQSMW-QGZVFWFLSA-N 1 1 353.426 2.316 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000176996573 546520648 /nfs/dbraw/zinc/52/06/48/546520648.db2.gz YMNJBXBOLWGFHU-QGZVFWFLSA-N 1 1 368.485 2.093 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000177400439 546609979 /nfs/dbraw/zinc/60/99/79/546609979.db2.gz USVXHKZGDOLCLM-KRWDZBQOSA-N 1 1 357.454 2.277 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000177400439 546609981 /nfs/dbraw/zinc/60/99/81/546609981.db2.gz USVXHKZGDOLCLM-KRWDZBQOSA-N 1 1 357.454 2.277 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000177662317 546663208 /nfs/dbraw/zinc/66/32/08/546663208.db2.gz FUBGWKFUEUQLTQ-MRXNPFEDSA-N 1 1 351.410 2.119 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000177976481 546716345 /nfs/dbraw/zinc/71/63/45/546716345.db2.gz SISLTNMVCMWAFG-QGZVFWFLSA-N 1 1 368.437 2.386 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184627763 547856580 /nfs/dbraw/zinc/85/65/80/547856580.db2.gz IOMHAMFURXSILF-QGZVFWFLSA-N 1 1 367.457 2.381 10 30 FEEEMO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000185412136 547981526 /nfs/dbraw/zinc/98/15/26/547981526.db2.gz NSRYLHDHWVCAKJ-INIZCTEOSA-N 1 1 359.451 2.148 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246810041 549218205 /nfs/dbraw/zinc/21/82/05/549218205.db2.gz KOLIBDCFUGIZSQ-MAUKXSAKSA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O ZINC000246810041 549218207 /nfs/dbraw/zinc/21/82/07/549218207.db2.gz KOLIBDCFUGIZSQ-MAUKXSAKSA-N 1 1 361.511 2.095 10 30 FEEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247775166 549378394 /nfs/dbraw/zinc/37/83/94/549378394.db2.gz QHZVYCNULAMECL-YJBOKZPZSA-N 1 1 364.453 2.276 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247926387 549391879 /nfs/dbraw/zinc/39/18/79/549391879.db2.gz ZVDCZJVLMKZZHZ-AGYKMIKPSA-N 1 1 372.517 2.309 10 30 FEEEMO CC(=O)NCc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000886072093 688199397 /nfs/dbraw/zinc/19/93/97/688199397.db2.gz PACHGOIDZNEZBO-MRXNPFEDSA-N 1 1 356.451 2.304 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000103478586 543111218 /nfs/dbraw/zinc/11/12/18/543111218.db2.gz JFALPGXWQIFDKO-QGZVFWFLSA-N 1 1 366.469 2.424 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000103478586 543111221 /nfs/dbraw/zinc/11/12/21/543111221.db2.gz JFALPGXWQIFDKO-QGZVFWFLSA-N 1 1 366.469 2.424 10 30 FEEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106174142 543212940 /nfs/dbraw/zinc/21/29/40/543212940.db2.gz JXCCMIFHRVDDNG-OAHLLOKOSA-N 1 1 370.482 2.244 10 30 FEEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106174142 543212943 /nfs/dbraw/zinc/21/29/43/543212943.db2.gz JXCCMIFHRVDDNG-OAHLLOKOSA-N 1 1 370.482 2.244 10 30 FEEEMO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)n1 ZINC000096073877 222012248 /nfs/dbraw/zinc/01/22/48/222012248.db2.gz JIVGPDPNHXKAGG-ICSRJNTNSA-N 1 1 356.470 2.415 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134839645 544323589 /nfs/dbraw/zinc/32/35/89/544323589.db2.gz NWXNKRXICZFXTD-XJKSGUPXSA-N 1 1 361.417 2.263 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134839645 544323591 /nfs/dbraw/zinc/32/35/91/544323591.db2.gz NWXNKRXICZFXTD-XJKSGUPXSA-N 1 1 361.417 2.263 10 30 FEEEMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000163522568 327053372 /nfs/dbraw/zinc/05/33/72/327053372.db2.gz LSDPSCQATXERPS-NSHDSACASA-N 1 1 363.464 2.313 10 30 FEEEMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247557439 549356889 /nfs/dbraw/zinc/35/68/89/549356889.db2.gz FRMCDLJLHLQPDE-RDJZCZTQSA-N 1 1 364.453 2.276 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1 ZINC000181141686 547256856 /nfs/dbraw/zinc/25/68/56/547256856.db2.gz CRSSXGAJPKVETC-DYVFJYSZSA-N 1 1 364.287 2.473 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000195288463 548613315 /nfs/dbraw/zinc/61/33/15/548613315.db2.gz CNURYZIWTBBKLQ-LJQANCHMSA-N 1 1 363.465 2.346 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000247028359 549269150 /nfs/dbraw/zinc/26/91/50/549269150.db2.gz POBQXPXTHGWVBX-UYAOXDASSA-N 1 1 370.497 2.037 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000247028359 549269154 /nfs/dbraw/zinc/26/91/54/549269154.db2.gz POBQXPXTHGWVBX-UYAOXDASSA-N 1 1 370.497 2.037 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247818241 549385480 /nfs/dbraw/zinc/38/54/80/549385480.db2.gz WQICINVVVNJGQN-MAUKXSAKSA-N 1 1 370.432 2.389 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247818241 549385482 /nfs/dbraw/zinc/38/54/82/549385482.db2.gz WQICINVVVNJGQN-MAUKXSAKSA-N 1 1 370.432 2.389 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247926392 549391527 /nfs/dbraw/zinc/39/15/27/549391527.db2.gz ZVDCZJVLMKZZHZ-SFANZJOMSA-N 1 1 372.517 2.309 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000252353302 549664617 /nfs/dbraw/zinc/66/46/17/549664617.db2.gz WSLVYHVSQAMQTQ-DZGCQCFKSA-N 1 1 362.474 2.138 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000252353302 549664620 /nfs/dbraw/zinc/66/46/20/549664620.db2.gz WSLVYHVSQAMQTQ-DZGCQCFKSA-N 1 1 362.474 2.138 10 30 FEEEMO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000379690908 558602348 /nfs/dbraw/zinc/60/23/48/558602348.db2.gz CNLXYTIKCVVASS-SFHVURJKSA-N 1 1 370.478 2.286 10 30 FEEEMO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000379690908 558602351 /nfs/dbraw/zinc/60/23/51/558602351.db2.gz CNLXYTIKCVVASS-SFHVURJKSA-N 1 1 370.478 2.286 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106112748 543200526 /nfs/dbraw/zinc/20/05/26/543200526.db2.gz DGUMWDSZWGLYLR-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106112748 543200528 /nfs/dbraw/zinc/20/05/28/543200528.db2.gz DGUMWDSZWGLYLR-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124821014 543844360 /nfs/dbraw/zinc/84/43/60/543844360.db2.gz AJWZCBBBMONTOA-UHFFFAOYSA-N 1 1 353.444 2.451 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125747221 543899362 /nfs/dbraw/zinc/89/93/62/543899362.db2.gz FWGPEKITVBTASG-CHWSQXEVSA-N 1 1 355.410 2.084 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000127897450 544020561 /nfs/dbraw/zinc/02/05/61/544020561.db2.gz ZHUBYEKVRDLUMB-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000127897450 544020564 /nfs/dbraw/zinc/02/05/64/544020564.db2.gz ZHUBYEKVRDLUMB-MRXNPFEDSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175776070 546348800 /nfs/dbraw/zinc/34/88/00/546348800.db2.gz SLIYMUCYHGRWFW-FUHWJXTLSA-N 1 1 359.470 2.114 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000177662878 546663460 /nfs/dbraw/zinc/66/34/60/546663460.db2.gz QNAUFLNOYWUEHC-HNNXBMFYSA-N 1 1 365.437 2.428 10 30 FEEEMO C[N@@H+](CCN1CCN(c2ccc(C#N)cn2)CC1)Cc1ccc(F)cc1 ZINC000186729203 548181727 /nfs/dbraw/zinc/18/17/27/548181727.db2.gz JOKIKNDEBGXADY-UHFFFAOYSA-N 1 1 353.445 2.346 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000190075629 548316219 /nfs/dbraw/zinc/31/62/19/548316219.db2.gz NCJZQVKGRKHXOH-HUUCEWRRSA-N 1 1 372.494 2.326 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000246460365 549137432 /nfs/dbraw/zinc/13/74/32/549137432.db2.gz FWGPEKITVBTASG-STQMWFEESA-N 1 1 355.410 2.084 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nn1 ZINC000247804259 549381942 /nfs/dbraw/zinc/38/19/42/549381942.db2.gz SDOCKKQESMZQLE-QGZVFWFLSA-N 1 1 370.501 2.028 10 30 FEEEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nn1 ZINC000247804259 549381945 /nfs/dbraw/zinc/38/19/45/549381945.db2.gz SDOCKKQESMZQLE-QGZVFWFLSA-N 1 1 370.501 2.028 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000247873046 549388222 /nfs/dbraw/zinc/38/82/22/549388222.db2.gz XWYUPDRSBNIIGU-RTBURBONSA-N 1 1 372.513 2.364 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000247873046 549388223 /nfs/dbraw/zinc/38/82/23/549388223.db2.gz XWYUPDRSBNIIGU-RTBURBONSA-N 1 1 372.513 2.364 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c(OC)c1 ZINC000248327409 549419003 /nfs/dbraw/zinc/41/90/03/549419003.db2.gz CJVMXNSMJKWMQX-RBUKOAKNSA-N 1 1 360.498 2.334 10 30 FEEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249566773 549605906 /nfs/dbraw/zinc/60/59/06/549605906.db2.gz NFEQLTGNCVLQDK-PVAVHDDUSA-N 1 1 361.511 2.487 10 30 FEEEMO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000262791719 672920810 /nfs/dbraw/zinc/92/08/10/672920810.db2.gz OGZGQZNDDFKRBH-ROUUACIJSA-N 1 1 362.905 2.285 10 30 FEEEMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000329136856 673072698 /nfs/dbraw/zinc/07/26/98/673072698.db2.gz REVVEYZLUKBBFO-CYBMUJFWSA-N 1 1 352.504 2.346 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000103477659 543110103 /nfs/dbraw/zinc/11/01/03/543110103.db2.gz DCIRPTNGHZDLAD-AWEZNQCLSA-N 1 1 358.471 2.439 10 30 FEEEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215042 543218678 /nfs/dbraw/zinc/21/86/78/543218678.db2.gz GDUZWOLIGDLEPW-MSOLQXFVSA-N 1 1 354.454 2.394 10 30 FEEEMO C=CCc1cc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cc(OC)c1OC ZINC000117291624 543627693 /nfs/dbraw/zinc/62/76/93/543627693.db2.gz LYBYQFGUUGJLKK-HNNXBMFYSA-N 1 1 362.470 2.225 10 30 FEEEMO C=CCc1cc(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cc(OC)c1OC ZINC000117291624 543627695 /nfs/dbraw/zinc/62/76/95/543627695.db2.gz LYBYQFGUUGJLKK-HNNXBMFYSA-N 1 1 362.470 2.225 10 30 FEEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)cc1 ZINC000117446860 543631989 /nfs/dbraw/zinc/63/19/89/543631989.db2.gz TZZOANLBHXJFQE-GOSISDBHSA-N 1 1 374.485 2.177 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000152156162 544620365 /nfs/dbraw/zinc/62/03/65/544620365.db2.gz SCWPDJSGOFSMMT-OAHLLOKOSA-N 1 1 358.490 2.209 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000152177728 544622053 /nfs/dbraw/zinc/62/20/53/544622053.db2.gz LAHGDWJXBLWYDE-CQSZACIVSA-N 1 1 352.442 2.376 10 30 FEEEMO N#Cc1cc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)ccc1F ZINC000120153039 326235373 /nfs/dbraw/zinc/23/53/73/326235373.db2.gz YPQFCONPZGWHGI-LJQANCHMSA-N 1 1 369.440 2.255 10 30 FEEEMO CC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000247548458 549355514 /nfs/dbraw/zinc/35/55/14/549355514.db2.gz DTJDFVIJBSENTE-ZBFHGGJFSA-N 1 1 362.474 2.138 10 30 FEEEMO N#CCCN(C(=O)CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171765016 546224707 /nfs/dbraw/zinc/22/47/07/546224707.db2.gz QUCRMSKMILICSP-GOSISDBHSA-N 1 1 354.454 2.020 10 30 FEEEMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172210887 546241103 /nfs/dbraw/zinc/24/11/03/546241103.db2.gz WUUMLVQOSHKHPI-IAGOWNOFSA-N 1 1 356.470 2.110 10 30 FEEEMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C ZINC000177154977 546556790 /nfs/dbraw/zinc/55/67/90/546556790.db2.gz HKODOUQCKPNSHB-CQSZACIVSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C ZINC000177154977 546556797 /nfs/dbraw/zinc/55/67/97/546556797.db2.gz HKODOUQCKPNSHB-CQSZACIVSA-N 1 1 358.471 2.179 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000180898095 547205317 /nfs/dbraw/zinc/20/53/17/547205317.db2.gz DZQMANXQKBQJAB-AWEZNQCLSA-N 1 1 368.412 2.273 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000180902754 547206715 /nfs/dbraw/zinc/20/67/15/547206715.db2.gz DAGZSOQZYSBNAR-HNNXBMFYSA-N 1 1 350.422 2.133 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245404750 548908664 /nfs/dbraw/zinc/90/86/64/548908664.db2.gz QHTIGKNBIHGCMC-LSDHHAIUSA-N 1 1 361.417 2.346 10 30 FEEEMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245404750 548908667 /nfs/dbraw/zinc/90/86/67/548908667.db2.gz QHTIGKNBIHGCMC-LSDHHAIUSA-N 1 1 361.417 2.346 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000249109364 549553644 /nfs/dbraw/zinc/55/36/44/549553644.db2.gz AKTFYSFESOYKRP-XHSDSOJGSA-N 1 1 370.453 2.001 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000103477655 543109993 /nfs/dbraw/zinc/10/99/93/543109993.db2.gz DCIRPTNGHZDLAD-CQSZACIVSA-N 1 1 358.471 2.439 10 30 FEEEMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C#N)c1C ZINC000106077026 543190449 /nfs/dbraw/zinc/19/04/49/543190449.db2.gz MBKPBEHSRGPHSR-OAHLLOKOSA-N 1 1 368.441 2.097 10 30 FEEEMO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C#N)c1C ZINC000106077026 543190450 /nfs/dbraw/zinc/19/04/50/543190450.db2.gz MBKPBEHSRGPHSR-OAHLLOKOSA-N 1 1 368.441 2.097 10 30 FEEEMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000106176548 543213314 /nfs/dbraw/zinc/21/33/14/543213314.db2.gz YEKSNVFDHDLDIL-ZDUSSCGKSA-N 1 1 358.833 2.154 10 30 FEEEMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000106176548 543213315 /nfs/dbraw/zinc/21/33/15/543213315.db2.gz YEKSNVFDHDLDIL-ZDUSSCGKSA-N 1 1 358.833 2.154 10 30 FEEEMO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189341609 328142129 /nfs/dbraw/zinc/14/21/29/328142129.db2.gz OTCAWJPNARXAHL-CYBMUJFWSA-N 1 1 374.510 2.428 10 30 FEEEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189341609 328142131 /nfs/dbraw/zinc/14/21/31/328142131.db2.gz OTCAWJPNARXAHL-CYBMUJFWSA-N 1 1 374.510 2.428 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000191908411 328288174 /nfs/dbraw/zinc/28/81/74/328288174.db2.gz ORKCSDDEKYHCMB-UHFFFAOYSA-N 1 1 357.454 2.436 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000191908411 328288175 /nfs/dbraw/zinc/28/81/75/328288175.db2.gz ORKCSDDEKYHCMB-UHFFFAOYSA-N 1 1 357.454 2.436 10 30 FEEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192263946 328310053 /nfs/dbraw/zinc/31/00/53/328310053.db2.gz YGQOZRAWBYBWQK-UHFFFAOYSA-N 1 1 360.458 2.155 10 30 FEEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192263946 328310054 /nfs/dbraw/zinc/31/00/54/328310054.db2.gz YGQOZRAWBYBWQK-UHFFFAOYSA-N 1 1 360.458 2.155 10 30 FEEEMO N#Cc1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)c(F)c1 ZINC000084926228 325246905 /nfs/dbraw/zinc/24/69/05/325246905.db2.gz HDSYDHQCNPBEBL-IBGZPJMESA-N 1 1 369.440 2.397 10 30 FEEEMO CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1CCOC ZINC000173679917 327275999 /nfs/dbraw/zinc/27/59/99/327275999.db2.gz YVLJYFKKOGOBIQ-KRWDZBQOSA-N 1 1 355.442 2.151 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247551056 549355218 /nfs/dbraw/zinc/35/52/18/549355218.db2.gz DZUCRHIVSKOANZ-IKGGRYGDSA-N 1 1 365.543 2.038 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000177982678 546717205 /nfs/dbraw/zinc/71/72/05/546717205.db2.gz JSRFVEUFVSMCAI-OAHLLOKOSA-N 1 1 371.828 2.346 10 30 FEEEMO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000180894248 547204606 /nfs/dbraw/zinc/20/46/06/547204606.db2.gz MCAMVFDIFBHVQQ-INIZCTEOSA-N 1 1 364.449 2.442 10 30 FEEEMO C=CCn1c(=S)n(CN2CC[N@H+]3CCC[C@H]3C2)nc1-c1cccnc1 ZINC000247006632 672845496 /nfs/dbraw/zinc/84/54/96/672845496.db2.gz ITNQVFRGRKQRGY-INIZCTEOSA-N 1 1 356.499 2.400 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000103476407 543110033 /nfs/dbraw/zinc/11/00/33/543110033.db2.gz QBZSSHRSCJRZED-MRXNPFEDSA-N 1 1 352.442 2.378 10 30 FEEEMO CN(C(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1)C1(C#N)CCCCC1 ZINC000106079468 543191556 /nfs/dbraw/zinc/19/15/56/543191556.db2.gz KAKMQFWAEQLZRQ-KRWDZBQOSA-N 1 1 370.501 2.062 10 30 FEEEMO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cn1 ZINC000116316285 543606387 /nfs/dbraw/zinc/60/63/87/543606387.db2.gz OLNDDGMBYDETOW-AWEZNQCLSA-N 1 1 355.467 2.464 10 30 FEEEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cn1 ZINC000116316285 543606391 /nfs/dbraw/zinc/60/63/91/543606391.db2.gz OLNDDGMBYDETOW-AWEZNQCLSA-N 1 1 355.467 2.464 10 30 FEEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171704882 546219351 /nfs/dbraw/zinc/21/93/51/546219351.db2.gz RHHKGGGBOLSKKX-SFHVURJKSA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171704882 546219356 /nfs/dbraw/zinc/21/93/56/546219356.db2.gz RHHKGGGBOLSKKX-SFHVURJKSA-N 1 1 366.469 2.479 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000180897440 547205826 /nfs/dbraw/zinc/20/58/26/547205826.db2.gz ANOPMGCAYZWOJZ-HNNXBMFYSA-N 1 1 350.422 2.133 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245822011 548999353 /nfs/dbraw/zinc/99/93/53/548999353.db2.gz MHDMTFRQTMAKJB-FUHWJXTLSA-N 1 1 352.442 2.250 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245822011 548999355 /nfs/dbraw/zinc/99/93/55/548999355.db2.gz MHDMTFRQTMAKJB-FUHWJXTLSA-N 1 1 352.442 2.250 10 30 FEEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246557541 549161565 /nfs/dbraw/zinc/16/15/65/549161565.db2.gz WLPQWPCMYWPMHI-WMLDXEAASA-N 1 1 372.469 2.129 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000246721072 549194981 /nfs/dbraw/zinc/19/49/81/549194981.db2.gz LKDUAFQEENATBF-IRXDYDNUSA-N 1 1 359.470 2.021 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)cc1OC ZINC000247031333 549269273 /nfs/dbraw/zinc/26/92/73/549269273.db2.gz XHWQEDOOXDFMJJ-RDJZCZTQSA-N 1 1 362.470 2.177 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC ZINC000247775287 549380037 /nfs/dbraw/zinc/38/00/37/549380037.db2.gz QKEXQJLTKVIFSU-VQIMIIECSA-N 1 1 358.486 2.318 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248501440 549451919 /nfs/dbraw/zinc/45/19/19/549451919.db2.gz TXJFGUPRJIZCKZ-WMZOPIPTSA-N 1 1 361.486 2.238 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180450 549565556 /nfs/dbraw/zinc/56/55/56/549565556.db2.gz NCJZQVKGRKHXOH-CABCVRRESA-N 1 1 372.494 2.326 10 30 FEEEMO N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000301395309 553648753 /nfs/dbraw/zinc/64/87/53/553648753.db2.gz LKCFARQLOPIHGT-HNNXBMFYSA-N 1 1 362.499 2.415 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218353 543219672 /nfs/dbraw/zinc/21/96/72/543219672.db2.gz GPZRDHQBKKYGCZ-VIHIWDAPSA-N 1 1 358.490 2.234 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218353 543219673 /nfs/dbraw/zinc/21/96/73/543219673.db2.gz GPZRDHQBKKYGCZ-VIHIWDAPSA-N 1 1 358.490 2.234 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164982 327121892 /nfs/dbraw/zinc/12/18/92/327121892.db2.gz NHJKUMKJQCEHLT-MRXNPFEDSA-N 1 1 359.449 2.013 10 30 FEEEMO Cc1cc(C)c(C#N)c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000172756716 327217262 /nfs/dbraw/zinc/21/72/62/327217262.db2.gz XGTPAPMOHXJPHF-GOSISDBHSA-N 1 1 366.465 2.132 10 30 FEEEMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177192684 327505375 /nfs/dbraw/zinc/50/53/75/327505375.db2.gz DLKCVOKFMIJMJU-MRXNPFEDSA-N 1 1 354.410 2.142 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171701255 546219099 /nfs/dbraw/zinc/21/90/99/546219099.db2.gz MHDMTFRQTMAKJB-WMZOPIPTSA-N 1 1 352.442 2.250 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171701255 546219104 /nfs/dbraw/zinc/21/91/04/546219104.db2.gz MHDMTFRQTMAKJB-WMZOPIPTSA-N 1 1 352.442 2.250 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175776019 546348168 /nfs/dbraw/zinc/34/81/68/546348168.db2.gz SLIYMUCYHGRWFW-AEFFLSMTSA-N 1 1 359.470 2.114 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234496 546422424 /nfs/dbraw/zinc/42/24/24/546422424.db2.gz YPQJXVMSONGQCM-KRWDZBQOSA-N 1 1 372.494 2.428 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177400419 546609739 /nfs/dbraw/zinc/60/97/39/546609739.db2.gz USVXHKZGDOLCLM-QGZVFWFLSA-N 1 1 357.454 2.277 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177400419 546609742 /nfs/dbraw/zinc/60/97/42/546609742.db2.gz USVXHKZGDOLCLM-QGZVFWFLSA-N 1 1 357.454 2.277 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084237 548316726 /nfs/dbraw/zinc/31/67/26/548316726.db2.gz HWBHOGYULCVBLP-NVXWUHKLSA-N 1 1 370.453 2.003 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247818238 549385605 /nfs/dbraw/zinc/38/56/05/549385605.db2.gz WQICINVVVNJGQN-CRAIPNDOSA-N 1 1 370.432 2.389 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247818238 549385609 /nfs/dbraw/zinc/38/56/09/549385609.db2.gz WQICINVVVNJGQN-CRAIPNDOSA-N 1 1 370.432 2.389 10 30 FEEEMO CNC(=O)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000183637021 672474467 /nfs/dbraw/zinc/47/44/67/672474467.db2.gz PFCQSYJOSGKCGO-MRXNPFEDSA-N 1 1 362.499 2.187 10 30 FEEEMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000046973253 540281281 /nfs/dbraw/zinc/28/12/81/540281281.db2.gz XMCIYNDYFNFVBE-VQIMIIECSA-N 1 1 356.470 2.343 10 30 FEEEMO Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824780 205082035 /nfs/dbraw/zinc/08/20/35/205082035.db2.gz YVDIKWGHFKZWPV-SSDVNMTOSA-N 1 1 369.381 2.092 10 30 FEEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084238 543193260 /nfs/dbraw/zinc/19/32/60/543193260.db2.gz HSVHGIWYHNCHIA-INIZCTEOSA-N 1 1 370.501 2.108 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106098680 543195304 /nfs/dbraw/zinc/19/53/04/543195304.db2.gz DZUCRHIVSKOANZ-BBWFWOEESA-N 1 1 365.543 2.038 10 30 FEEEMO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1CCOC ZINC000106114766 543201315 /nfs/dbraw/zinc/20/13/15/543201315.db2.gz YQPVAUCKWWACND-MRXNPFEDSA-N 1 1 364.877 2.193 10 30 FEEEMO CC[C@H](O)C[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110742820 543367145 /nfs/dbraw/zinc/36/71/45/543367145.db2.gz AFCCNJICMZBJHW-SFHVURJKSA-N 1 1 359.470 2.022 10 30 FEEEMO CC[C@H](O)C[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000118858036 543659936 /nfs/dbraw/zinc/65/99/36/543659936.db2.gz MIFXPHKNXQXLPE-KRWDZBQOSA-N 1 1 368.481 2.126 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449258 328208200 /nfs/dbraw/zinc/20/82/00/328208200.db2.gz ZGGBMSSTFOWALN-HNNXBMFYSA-N 1 1 352.398 2.215 10 30 FEEEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548785 328215463 /nfs/dbraw/zinc/21/54/63/328215463.db2.gz LORUSBQYJNFMNI-CQSZACIVSA-N 1 1 357.483 2.256 10 30 FEEEMO CCOCC[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000173679292 327276087 /nfs/dbraw/zinc/27/60/87/327276087.db2.gz FKRMGQYMNPCGBU-HNNXBMFYSA-N 1 1 355.442 2.151 10 30 FEEEMO CCOCC[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000173679292 327276088 /nfs/dbraw/zinc/27/60/88/327276088.db2.gz FKRMGQYMNPCGBU-HNNXBMFYSA-N 1 1 355.442 2.151 10 30 FEEEMO C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173866820 327289824 /nfs/dbraw/zinc/28/98/24/327289824.db2.gz BSYJKFIAPTUIDB-XLIONFOSSA-N 1 1 371.481 2.286 10 30 FEEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171704887 546219425 /nfs/dbraw/zinc/21/94/25/546219425.db2.gz RHHKGGGBOLSKKX-GOSISDBHSA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171704887 546219429 /nfs/dbraw/zinc/21/94/29/546219429.db2.gz RHHKGGGBOLSKKX-GOSISDBHSA-N 1 1 366.469 2.479 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000176996587 546521100 /nfs/dbraw/zinc/52/11/00/546521100.db2.gz YMNJBXBOLWGFHU-KRWDZBQOSA-N 1 1 368.485 2.093 10 30 FEEEMO CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@H+]1CCOC ZINC000177132062 546550641 /nfs/dbraw/zinc/55/06/41/546550641.db2.gz GSKDIQSHOFYSNM-OAHLLOKOSA-N 1 1 364.515 2.218 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000178627147 546823173 /nfs/dbraw/zinc/82/31/73/546823173.db2.gz DMWZUMFGNKPRNW-MRXNPFEDSA-N 1 1 372.469 2.132 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084256 548316398 /nfs/dbraw/zinc/31/63/98/548316398.db2.gz HWBHOGYULCVBLP-DOTOQJQBSA-N 1 1 370.453 2.003 10 30 FEEEMO C#CCSCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190717254 548331913 /nfs/dbraw/zinc/33/19/13/548331913.db2.gz PMXVBZIBGDLKOP-HNNXBMFYSA-N 1 1 366.556 2.281 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000245513678 548936959 /nfs/dbraw/zinc/93/69/59/548936959.db2.gz APVWAKUKFWKAPS-PXNSSMCTSA-N 1 1 370.497 2.096 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000245513678 548936963 /nfs/dbraw/zinc/93/69/63/548936963.db2.gz APVWAKUKFWKAPS-PXNSSMCTSA-N 1 1 370.497 2.096 10 30 FEEEMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949460 549027363 /nfs/dbraw/zinc/02/73/63/549027363.db2.gz KZUKRVDXTJACOM-OXJNMPFZSA-N 1 1 365.481 2.111 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000246433188 549132680 /nfs/dbraw/zinc/13/26/80/549132680.db2.gz MVQJSGMLTIYOLH-CABCVRRESA-N 1 1 356.388 2.324 10 30 FEEEMO CC(C)n1cc([C@@]2(O)CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)nn1 ZINC000284528239 551570283 /nfs/dbraw/zinc/57/02/83/551570283.db2.gz FYVQQCVTJUVESB-LJQANCHMSA-N 1 1 355.442 2.093 10 30 FEEEMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000030532153 539884436 /nfs/dbraw/zinc/88/44/36/539884436.db2.gz FTHORJWTPBDDHC-SFHVURJKSA-N 1 1 369.440 2.397 10 30 FEEEMO N#Cc1ccccc1OCCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106095910 543194653 /nfs/dbraw/zinc/19/46/53/543194653.db2.gz RUORFIGDQQHOKT-FQEVSTJZSA-N 1 1 351.450 2.288 10 30 FEEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129114 543205999 /nfs/dbraw/zinc/20/59/99/543205999.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 1 1 361.534 2.092 10 30 FEEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129114 543206000 /nfs/dbraw/zinc/20/60/00/543206000.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 1 1 361.534 2.092 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1CC ZINC000106119857 543203620 /nfs/dbraw/zinc/20/36/20/543203620.db2.gz JBPLXFPZGPUYFP-SFHVURJKSA-N 1 1 364.534 2.104 10 30 FEEEMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106174030 543212617 /nfs/dbraw/zinc/21/26/17/543212617.db2.gz WMXGMXCAKTYBPY-CYBMUJFWSA-N 1 1 358.833 2.154 10 30 FEEEMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106174030 543212621 /nfs/dbraw/zinc/21/26/21/543212621.db2.gz WMXGMXCAKTYBPY-CYBMUJFWSA-N 1 1 358.833 2.154 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113227119 543477565 /nfs/dbraw/zinc/47/75/65/543477565.db2.gz SAIMKYGKIJXEEG-PKOBYXMFSA-N 1 1 368.481 2.409 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245900 328137179 /nfs/dbraw/zinc/13/71/79/328137179.db2.gz AHBUTDLADQLYHV-INIZCTEOSA-N 1 1 350.422 2.253 10 30 FEEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cn1 ZINC000171817588 546226909 /nfs/dbraw/zinc/22/69/09/546226909.db2.gz LJCYCPFFYBSPPU-UHFFFAOYSA-N 1 1 351.454 2.317 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cn1 ZINC000171817588 546226913 /nfs/dbraw/zinc/22/69/13/546226913.db2.gz LJCYCPFFYBSPPU-UHFFFAOYSA-N 1 1 351.454 2.317 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174968946 546304848 /nfs/dbraw/zinc/30/48/48/546304848.db2.gz RKFHLWIFVJHWMB-ZWKOTPCHSA-N 1 1 357.502 2.431 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000177658178 546662200 /nfs/dbraw/zinc/66/22/00/546662200.db2.gz UNPIHKNCNBHGHO-MRXNPFEDSA-N 1 1 351.410 2.119 10 30 FEEEMO C#CCCCNC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192384111 548363641 /nfs/dbraw/zinc/36/36/41/548363641.db2.gz PMMOCJJXGVXQCD-INIZCTEOSA-N 1 1 351.491 2.237 10 30 FEEEMO C#CCCCNC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192384111 548363648 /nfs/dbraw/zinc/36/36/48/548363648.db2.gz PMMOCJJXGVXQCD-INIZCTEOSA-N 1 1 351.491 2.237 10 30 FEEEMO C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000245932652 549023824 /nfs/dbraw/zinc/02/38/24/549023824.db2.gz SRJPRDKZCIAGOW-MOPGFXCFSA-N 1 1 366.550 2.168 10 30 FEEEMO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CCOC)[C@@H](C)C2)c1=S ZINC000117321748 670913962 /nfs/dbraw/zinc/91/39/62/670913962.db2.gz FVSUIMZAKBLSMX-AWEZNQCLSA-N 1 1 351.520 2.087 10 30 FEEEMO CC(=O)NCc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000886072146 688199414 /nfs/dbraw/zinc/19/94/14/688199414.db2.gz WJPWLUCHLWHUGX-QGZVFWFLSA-N 1 1 356.451 2.304 10 30 FEEEMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000046973247 540281135 /nfs/dbraw/zinc/28/11/35/540281135.db2.gz XMCIYNDYFNFVBE-LPHOPBHVSA-N 1 1 356.470 2.343 10 30 FEEEMO COCC[N@@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C ZINC000106107845 543199089 /nfs/dbraw/zinc/19/90/89/543199089.db2.gz OWHQJVGPWYLABR-RTBURBONSA-N 1 1 372.513 2.283 10 30 FEEEMO COCC[N@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C ZINC000106107845 543199091 /nfs/dbraw/zinc/19/90/91/543199091.db2.gz OWHQJVGPWYLABR-RTBURBONSA-N 1 1 372.513 2.283 10 30 FEEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106100328 543196076 /nfs/dbraw/zinc/19/60/76/543196076.db2.gz TUHDYBYLGRYVLZ-HZPDHXFCSA-N 1 1 363.527 2.290 10 30 FEEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181174 543214223 /nfs/dbraw/zinc/21/42/23/543214223.db2.gz QTVQPXJIPAVVJY-KRWDZBQOSA-N 1 1 352.442 2.117 10 30 FEEEMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000120656217 543683188 /nfs/dbraw/zinc/68/31/88/543683188.db2.gz XYJOTCNLYYKECM-IAGOWNOFSA-N 1 1 361.486 2.265 10 30 FEEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000192101852 328299727 /nfs/dbraw/zinc/29/97/27/328299727.db2.gz RCUKSHDBFNESSD-UHFFFAOYSA-N 1 1 374.485 2.165 10 30 FEEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000192101852 328299729 /nfs/dbraw/zinc/29/97/29/328299729.db2.gz RCUKSHDBFNESSD-UHFFFAOYSA-N 1 1 374.485 2.165 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000117306110 326055850 /nfs/dbraw/zinc/05/58/50/326055850.db2.gz AHTHSBHTUHOIOV-SFHVURJKSA-N 1 1 361.511 2.361 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000117306110 326055852 /nfs/dbraw/zinc/05/58/52/326055852.db2.gz AHTHSBHTUHOIOV-SFHVURJKSA-N 1 1 361.511 2.361 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062632 326122916 /nfs/dbraw/zinc/12/29/16/326122916.db2.gz OCGJAPNTJGDRKU-QGZVFWFLSA-N 1 1 372.469 2.227 10 30 FEEEMO C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N1CC[NH+](C)CC1 ZINC000171243695 327127314 /nfs/dbraw/zinc/12/73/14/327127314.db2.gz QAKBOFAIOVXOAU-CQSZACIVSA-N 1 1 369.494 2.180 10 30 FEEEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173682045 327276133 /nfs/dbraw/zinc/27/61/33/327276133.db2.gz JGWRMPHGMDLERZ-OAHLLOKOSA-N 1 1 369.469 2.133 10 30 FEEEMO C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173866842 327289839 /nfs/dbraw/zinc/28/98/39/327289839.db2.gz BSYJKFIAPTUIDB-PXNSSMCTSA-N 1 1 371.481 2.286 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1CC ZINC000175979425 546384566 /nfs/dbraw/zinc/38/45/66/546384566.db2.gz CHZSBFJADFIVEG-GOSISDBHSA-N 1 1 374.485 2.079 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000177658188 546661628 /nfs/dbraw/zinc/66/16/28/546661628.db2.gz UNPIHKNCNBHGHO-INIZCTEOSA-N 1 1 351.410 2.119 10 30 FEEEMO C#CCSCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190717272 548332934 /nfs/dbraw/zinc/33/29/34/548332934.db2.gz PMXVBZIBGDLKOP-OAHLLOKOSA-N 1 1 366.556 2.281 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000246064115 549044418 /nfs/dbraw/zinc/04/44/18/549044418.db2.gz AOZFMACULSGTMT-GDBMZVCRSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000246064115 549044423 /nfs/dbraw/zinc/04/44/23/549044423.db2.gz AOZFMACULSGTMT-GDBMZVCRSA-N 1 1 352.442 2.376 10 30 FEEEMO CC[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000246720426 549195899 /nfs/dbraw/zinc/19/58/99/549195899.db2.gz DOTSPLWZKIGEEJ-HQRMLTQVSA-N 1 1 373.497 2.265 10 30 FEEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000248415195 549433049 /nfs/dbraw/zinc/43/30/49/549433049.db2.gz NUJNBNYQJNUIHJ-INMHGKMJSA-N 1 1 358.442 2.162 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000106074439 543190080 /nfs/dbraw/zinc/19/00/80/543190080.db2.gz QVEAZVATWZJZDJ-INIZCTEOSA-N 1 1 364.453 2.196 10 30 FEEEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000106074439 543190082 /nfs/dbraw/zinc/19/00/82/543190082.db2.gz QVEAZVATWZJZDJ-INIZCTEOSA-N 1 1 364.453 2.196 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079097 543191933 /nfs/dbraw/zinc/19/19/33/543191933.db2.gz WLEBZFNYGPNPAF-OAHLLOKOSA-N 1 1 370.482 2.339 10 30 FEEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081462 543192274 /nfs/dbraw/zinc/19/22/74/543192274.db2.gz JUZJRBRIHCGGAH-OAHLLOKOSA-N 1 1 356.474 2.084 10 30 FEEEMO CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000106116287 543202803 /nfs/dbraw/zinc/20/28/03/543202803.db2.gz PHCCKIRIGAZWFV-MRXNPFEDSA-N 1 1 364.877 2.193 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108611176 543297053 /nfs/dbraw/zinc/29/70/53/543297053.db2.gz JCWBTCQKTVIEOL-LSDHHAIUSA-N 1 1 374.510 2.477 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000127894335 544020631 /nfs/dbraw/zinc/02/06/31/544020631.db2.gz NBDJUOXAMGMAIJ-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000127894335 544020634 /nfs/dbraw/zinc/02/06/34/544020634.db2.gz NBDJUOXAMGMAIJ-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000172120744 327182142 /nfs/dbraw/zinc/18/21/42/327182142.db2.gz WTTXQJNBDFWFSV-HXUWFJFHSA-N 1 1 364.449 2.119 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000174969428 327364578 /nfs/dbraw/zinc/36/45/78/327364578.db2.gz YEPCCGYDBWYOMN-SJLPKXTDSA-N 1 1 364.453 2.025 10 30 FEEEMO C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474618 518720574 /nfs/dbraw/zinc/72/05/74/518720574.db2.gz VEQHJXOZEABWIO-QGZVFWFLSA-N 1 1 358.490 2.178 10 30 FEEEMO C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474618 518720578 /nfs/dbraw/zinc/72/05/78/518720578.db2.gz VEQHJXOZEABWIO-QGZVFWFLSA-N 1 1 358.490 2.178 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176890850 546501497 /nfs/dbraw/zinc/50/14/97/546501497.db2.gz LSDZKHOFJCPGAM-KRWDZBQOSA-N 1 1 372.469 2.250 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184616968 547854415 /nfs/dbraw/zinc/85/44/15/547854415.db2.gz CLWBKUAOKVGICK-DLBZAZTESA-N 1 1 365.441 2.229 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246810054 549217706 /nfs/dbraw/zinc/21/77/06/549217706.db2.gz KOLIBDCFUGIZSQ-YJBOKZPZSA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O ZINC000246810054 549217712 /nfs/dbraw/zinc/21/77/12/549217712.db2.gz KOLIBDCFUGIZSQ-YJBOKZPZSA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000246946043 549248100 /nfs/dbraw/zinc/24/81/00/549248100.db2.gz BEESZBJYQIHXLI-MOPGFXCFSA-N 1 1 372.513 2.364 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000247069176 549276688 /nfs/dbraw/zinc/27/66/88/549276688.db2.gz YEPCCGYDBWYOMN-WMZOPIPTSA-N 1 1 364.453 2.025 10 30 FEEEMO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000247243628 549305430 /nfs/dbraw/zinc/30/54/30/549305430.db2.gz NESMFBXRULMOPJ-IRXDYDNUSA-N 1 1 372.469 2.366 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000247806969 549382115 /nfs/dbraw/zinc/38/21/15/549382115.db2.gz SYHBZZJCMLESMV-IAGOWNOFSA-N 1 1 365.543 2.304 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000247806969 549382117 /nfs/dbraw/zinc/38/21/17/549382117.db2.gz SYHBZZJCMLESMV-IAGOWNOFSA-N 1 1 365.543 2.304 10 30 FEEEMO Cc1cc(N2CCC[C@H]([N@@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1 ZINC000328651466 553802510 /nfs/dbraw/zinc/80/25/10/553802510.db2.gz VXRKVAJOBBIXCK-INIZCTEOSA-N 1 1 365.485 2.433 10 30 FEEEMO CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262782781 672920802 /nfs/dbraw/zinc/92/08/02/672920802.db2.gz LLPITWQJHGJBOY-MSOLQXFVSA-N 1 1 362.905 2.285 10 30 FEEEMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000072866987 541884944 /nfs/dbraw/zinc/88/49/44/541884944.db2.gz FIIBWFJXTJTTKM-RBUKOAKNSA-N 1 1 354.454 2.230 10 30 FEEEMO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113227465 543478565 /nfs/dbraw/zinc/47/85/65/543478565.db2.gz ZYZUOHWZWXIDID-NVXWUHKLSA-N 1 1 357.454 2.421 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000128564084 326526097 /nfs/dbraw/zinc/52/60/97/326526097.db2.gz AAVQNJCJMVSSRP-AWEZNQCLSA-N 1 1 362.430 2.482 10 30 FEEEMO Cc1cccc(C(=[NH2+])NOC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000017083982 524151655 /nfs/dbraw/zinc/15/16/55/524151655.db2.gz SJIHGIUAANCEQJ-UHFFFAOYSA-N 1 1 358.310 2.218 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157550837 545752458 /nfs/dbraw/zinc/75/24/58/545752458.db2.gz OIMSMZWRLGSOPI-SMDDNHRTSA-N 1 1 373.400 2.434 10 30 FEEEMO N#Cc1ccc(F)cc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000160100448 546007449 /nfs/dbraw/zinc/00/74/49/546007449.db2.gz NFWFBFHLYFDHBL-HXUWFJFHSA-N 1 1 369.440 2.255 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177220314 546573779 /nfs/dbraw/zinc/57/37/79/546573779.db2.gz XOYIUYAPXSBSLY-OAHLLOKOSA-N 1 1 371.828 2.346 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177800148 546689409 /nfs/dbraw/zinc/68/94/09/546689409.db2.gz HWIWDKFJIRVFMH-YOEHRIQHSA-N 1 1 358.442 2.141 10 30 FEEEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000181247118 547280363 /nfs/dbraw/zinc/28/03/63/547280363.db2.gz LPKWFRAZIHLDDL-KRWDZBQOSA-N 1 1 360.458 2.266 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600217 547852716 /nfs/dbraw/zinc/85/27/16/547852716.db2.gz IJEGOVYOBNWDHP-INIZCTEOSA-N 1 1 353.430 2.087 10 30 FEEEMO O[C@H](COc1ccccc1)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000192008468 548355978 /nfs/dbraw/zinc/35/59/78/548355978.db2.gz UREPXFPNLIKIEI-NRFANRHFSA-N 1 1 350.462 2.096 10 30 FEEEMO COCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000252353155 549664536 /nfs/dbraw/zinc/66/45/36/549664536.db2.gz SAKSCBCQKZGQMZ-UONOGXRCSA-N 1 1 364.877 2.191 10 30 FEEEMO COCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000252353155 549664539 /nfs/dbraw/zinc/66/45/39/549664539.db2.gz SAKSCBCQKZGQMZ-UONOGXRCSA-N 1 1 364.877 2.191 10 30 FEEEMO N#Cc1nc(NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000302728362 553729009 /nfs/dbraw/zinc/72/90/09/553729009.db2.gz PBOCHQQBHDXWRG-UHFFFAOYSA-N 1 1 353.382 2.306 10 30 FEEEMO C=CCn1c(C)nn(CN2CC[N@H+](CCOCC)[C@@H](CC)C2)c1=S ZINC000152606629 672184849 /nfs/dbraw/zinc/18/48/49/672184849.db2.gz KWRAVIJXGGTJLG-INIZCTEOSA-N 1 1 353.536 2.299 10 30 FEEEMO CN(C(=O)C[NH+]1CCC(Nc2cccnn2)CC1)C1(C#N)CCCCC1 ZINC000106082832 543192226 /nfs/dbraw/zinc/19/22/26/543192226.db2.gz POQOHLAXJVVCIK-UHFFFAOYSA-N 1 1 356.474 2.038 10 30 FEEEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cn1 ZINC000116316281 543606580 /nfs/dbraw/zinc/60/65/80/543606580.db2.gz OLNDDGMBYDETOW-CQSZACIVSA-N 1 1 355.467 2.464 10 30 FEEEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cn1 ZINC000116316281 543606582 /nfs/dbraw/zinc/60/65/82/543606582.db2.gz OLNDDGMBYDETOW-CQSZACIVSA-N 1 1 355.467 2.464 10 30 FEEEMO COc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1C#N ZINC000135051644 544332386 /nfs/dbraw/zinc/33/23/86/544332386.db2.gz FLVVHASSIZIMQI-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO COc1ccc(CN(C)C2CC[NH+](CCn3cccn3)CC2)cc1C#N ZINC000135051644 544332389 /nfs/dbraw/zinc/33/23/89/544332389.db2.gz FLVVHASSIZIMQI-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000152158775 544619987 /nfs/dbraw/zinc/61/99/87/544619987.db2.gz QBXYULXHMSMREY-CQSZACIVSA-N 1 1 352.442 2.376 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000247543762 549354232 /nfs/dbraw/zinc/35/42/32/549354232.db2.gz DGUMWDSZWGLYLR-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000247543762 549354236 /nfs/dbraw/zinc/35/42/36/549354236.db2.gz DGUMWDSZWGLYLR-CQSZACIVSA-N 1 1 364.877 2.193 10 30 FEEEMO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000177658686 546662149 /nfs/dbraw/zinc/66/21/49/546662149.db2.gz VEMOMZYRFYDCNQ-QGZVFWFLSA-N 1 1 350.422 2.229 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949465 549026618 /nfs/dbraw/zinc/02/66/18/549026618.db2.gz KZUKRVDXTJACOM-OXQOHEQNSA-N 1 1 365.481 2.111 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246762133 549206960 /nfs/dbraw/zinc/20/69/60/549206960.db2.gz QTIRAXRWEJIXQM-YRNRMSPPSA-N 1 1 374.387 2.384 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246762133 549206963 /nfs/dbraw/zinc/20/69/63/549206963.db2.gz QTIRAXRWEJIXQM-YRNRMSPPSA-N 1 1 374.387 2.384 10 30 FEEEMO Cc1ccc(NC(=O)N2CCC[C@H]([N@H+](C)Cc3nccc(N)n3)CC2)cn1 ZINC000328629004 553798915 /nfs/dbraw/zinc/79/89/15/553798915.db2.gz HTFKOUFCCNRXFV-INIZCTEOSA-N 1 1 369.473 2.294 10 30 FEEEMO Cc1ccc(NC(=O)N2CCC[C@H]([N@@H+](C)Cc3nccc(N)n3)CC2)cn1 ZINC000328629004 553798916 /nfs/dbraw/zinc/79/89/16/553798916.db2.gz HTFKOUFCCNRXFV-INIZCTEOSA-N 1 1 369.473 2.294 10 30 FEEEMO N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(F)c1 ZINC000106205089 543218694 /nfs/dbraw/zinc/21/86/94/543218694.db2.gz KGNISFDJILTSTN-IBGZPJMESA-N 1 1 369.440 2.255 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108611186 543297986 /nfs/dbraw/zinc/29/79/86/543297986.db2.gz CDESZXZNOPNRAK-AWEZNQCLSA-N 1 1 360.483 2.231 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C ZINC000117280687 543626429 /nfs/dbraw/zinc/62/64/29/543626429.db2.gz CPDZKJNTKPEJAG-INIZCTEOSA-N 1 1 361.511 2.361 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C ZINC000117280687 543626432 /nfs/dbraw/zinc/62/64/32/543626432.db2.gz CPDZKJNTKPEJAG-INIZCTEOSA-N 1 1 361.511 2.361 10 30 FEEEMO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCCC[C@@H]2O)CC1=O ZINC000132138314 544220692 /nfs/dbraw/zinc/22/06/92/544220692.db2.gz VSZVDYDCRBMEHL-BBRMVZONSA-N 1 1 354.454 2.197 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)COc2ccccc2C#N)C1 ZINC000190647378 328222091 /nfs/dbraw/zinc/22/20/91/328222091.db2.gz PMPJMZNGZFRCPR-GOSISDBHSA-N 1 1 364.449 2.313 10 30 FEEEMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000191806285 328282922 /nfs/dbraw/zinc/28/29/22/328282922.db2.gz XCQGCYFIFDIORX-DYVFJYSZSA-N 1 1 364.287 2.473 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000191806285 328282923 /nfs/dbraw/zinc/28/29/23/328282923.db2.gz XCQGCYFIFDIORX-DYVFJYSZSA-N 1 1 364.287 2.473 10 30 FEEEMO Cc1noc([C@@H](C)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000156188054 326821079 /nfs/dbraw/zinc/82/10/79/326821079.db2.gz UQWYSXNTNWITII-OAHLLOKOSA-N 1 1 355.442 2.397 10 30 FEEEMO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000188053275 548270086 /nfs/dbraw/zinc/27/00/86/548270086.db2.gz XCQYLRHYWCBDMG-UHFFFAOYSA-N 1 1 367.453 2.172 10 30 FEEEMO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000188053275 548270091 /nfs/dbraw/zinc/27/00/91/548270091.db2.gz XCQYLRHYWCBDMG-UHFFFAOYSA-N 1 1 367.453 2.172 10 30 FEEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935134 548376635 /nfs/dbraw/zinc/37/66/35/548376635.db2.gz MOXGPRYOQDGTHS-OAHLLOKOSA-N 1 1 370.544 2.229 10 30 FEEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386762 549121981 /nfs/dbraw/zinc/12/19/81/549121981.db2.gz KHBKXWYTNXQXCD-GOEBONIOSA-N 1 1 374.510 2.476 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)cc1OC ZINC000247031311 549269048 /nfs/dbraw/zinc/26/90/48/549269048.db2.gz XHWQEDOOXDFMJJ-DOTOQJQBSA-N 1 1 362.470 2.177 10 30 FEEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247807419 549383697 /nfs/dbraw/zinc/38/36/97/549383697.db2.gz TUHDYBYLGRYVLZ-HOTGVXAUSA-N 1 1 363.527 2.290 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000248430565 549435227 /nfs/dbraw/zinc/43/52/27/549435227.db2.gz AZIUDPYPRFLFHU-WMLDXEAASA-N 1 1 360.458 2.434 10 30 FEEEMO CC(C)n1cc([C@@]2(O)CCC[N@@H+](CCOc3cccc(C#N)c3)C2)nn1 ZINC000284490209 551560881 /nfs/dbraw/zinc/56/08/81/551560881.db2.gz CKMREFWBJUBMAY-LJQANCHMSA-N 1 1 355.442 2.093 10 30 FEEEMO CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000329124351 553884882 /nfs/dbraw/zinc/88/48/82/553884882.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 1 1 361.486 2.124 10 30 FEEEMO COc1cccc(-c2c(C#N)c(SCC(N)=O)nc3c2C[N@@H+](C)CC3)c1 ZINC000040569967 208256899 /nfs/dbraw/zinc/25/68/99/208256899.db2.gz FQKXAXUJTASWPX-UHFFFAOYSA-N 1 1 368.462 2.194 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000103477960 543110806 /nfs/dbraw/zinc/11/08/06/543110806.db2.gz AOZFMACULSGTMT-GOEBONIOSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000103477960 543110809 /nfs/dbraw/zinc/11/08/09/543110809.db2.gz AOZFMACULSGTMT-GOEBONIOSA-N 1 1 352.442 2.376 10 30 FEEEMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Nc4cccnn4)CC3)C2=O)cc1 ZINC000106081299 543192367 /nfs/dbraw/zinc/19/23/67/543192367.db2.gz XAZCXURMYQBYBM-GOSISDBHSA-N 1 1 362.437 2.030 10 30 FEEEMO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(F)c1 ZINC000106205087 543218598 /nfs/dbraw/zinc/21/85/98/543218598.db2.gz KGNISFDJILTSTN-LJQANCHMSA-N 1 1 369.440 2.255 10 30 FEEEMO C#Cc1cccc(NCC(=O)N[C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000116450219 543608889 /nfs/dbraw/zinc/60/88/89/543608889.db2.gz RXOORJABMFCSDE-KRWDZBQOSA-N 1 1 374.448 2.136 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000117454526 543632433 /nfs/dbraw/zinc/63/24/33/543632433.db2.gz ILZQBMBLEITGTK-GFCCVEGCSA-N 1 1 368.384 2.344 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000117454526 543632435 /nfs/dbraw/zinc/63/24/35/543632435.db2.gz ILZQBMBLEITGTK-GFCCVEGCSA-N 1 1 368.384 2.344 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000130642864 544159074 /nfs/dbraw/zinc/15/90/74/544159074.db2.gz CXJSBOZVAOYFNS-CVEARBPZSA-N 1 1 362.470 2.177 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000136813553 544379642 /nfs/dbraw/zinc/37/96/42/544379642.db2.gz BECAHMRDEPGVFX-INIZCTEOSA-N 1 1 351.406 2.389 10 30 FEEEMO COc1cc(C#N)ccc1CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000120871395 326295222 /nfs/dbraw/zinc/29/52/22/326295222.db2.gz UFQDYWIUWICMJN-UHFFFAOYSA-N 1 1 353.470 2.235 10 30 FEEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000171817694 327163467 /nfs/dbraw/zinc/16/34/67/327163467.db2.gz HRCHNIHIXXYIBD-UHFFFAOYSA-N 1 1 351.454 2.052 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000171817694 327163469 /nfs/dbraw/zinc/16/34/69/327163469.db2.gz HRCHNIHIXXYIBD-UHFFFAOYSA-N 1 1 351.454 2.052 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174768169 327349620 /nfs/dbraw/zinc/34/96/20/327349620.db2.gz ZYPPCMFZCJXIAA-CYBMUJFWSA-N 1 1 368.359 2.116 10 30 FEEEMO C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474617 518710577 /nfs/dbraw/zinc/71/05/77/518710577.db2.gz VEQHJXOZEABWIO-KRWDZBQOSA-N 1 1 358.490 2.178 10 30 FEEEMO C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474617 518710581 /nfs/dbraw/zinc/71/05/81/518710581.db2.gz VEQHJXOZEABWIO-KRWDZBQOSA-N 1 1 358.490 2.178 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527063 546213232 /nfs/dbraw/zinc/21/32/32/546213232.db2.gz WQICINVVVNJGQN-YJBOKZPZSA-N 1 1 370.432 2.389 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527063 546213235 /nfs/dbraw/zinc/21/32/35/546213235.db2.gz WQICINVVVNJGQN-YJBOKZPZSA-N 1 1 370.432 2.389 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)cc1OC ZINC000174642385 546300871 /nfs/dbraw/zinc/30/08/71/546300871.db2.gz XHWQEDOOXDFMJJ-NVXWUHKLSA-N 1 1 362.470 2.177 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000176109736 546408440 /nfs/dbraw/zinc/40/84/40/546408440.db2.gz LBVLGGQTMUFXEF-QGZVFWFLSA-N 1 1 353.426 2.468 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2CC[N@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC000177756534 546680653 /nfs/dbraw/zinc/68/06/53/546680653.db2.gz CJVMXNSMJKWMQX-RTBURBONSA-N 1 1 360.498 2.334 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245513682 548936836 /nfs/dbraw/zinc/93/68/36/548936836.db2.gz APVWAKUKFWKAPS-YLJYHZDGSA-N 1 1 370.497 2.096 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245513682 548936838 /nfs/dbraw/zinc/93/68/38/548936838.db2.gz APVWAKUKFWKAPS-YLJYHZDGSA-N 1 1 370.497 2.096 10 30 FEEEMO C[C@H](O)C[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000247807271 549382167 /nfs/dbraw/zinc/38/21/67/549382167.db2.gz SYMSSBABCJLCRW-SJORKVTESA-N 1 1 368.481 2.125 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000247807271 549382169 /nfs/dbraw/zinc/38/21/69/549382169.db2.gz SYMSSBABCJLCRW-SJORKVTESA-N 1 1 368.481 2.125 10 30 FEEEMO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CCOC)[C@@H](CC)C2)c1=S ZINC000117323798 670914892 /nfs/dbraw/zinc/91/48/92/670914892.db2.gz PLVQCULXSPJKQZ-INIZCTEOSA-N 1 1 365.547 2.478 10 30 FEEEMO CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000262782784 672920963 /nfs/dbraw/zinc/92/09/63/672920963.db2.gz LLPITWQJHGJBOY-ROUUACIJSA-N 1 1 362.905 2.285 10 30 FEEEMO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000052593369 540476062 /nfs/dbraw/zinc/47/60/62/540476062.db2.gz FYQMCGGGZFMYHX-FQEVSTJZSA-N 1 1 369.513 2.260 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000052593369 540476065 /nfs/dbraw/zinc/47/60/65/540476065.db2.gz FYQMCGGGZFMYHX-FQEVSTJZSA-N 1 1 369.513 2.260 10 30 FEEEMO Cc1nn(C)c(C)c1C[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000106141908 543207468 /nfs/dbraw/zinc/20/74/68/543207468.db2.gz QFOWCWASGGNSJD-UHFFFAOYSA-N 1 1 353.470 2.105 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643778 544064371 /nfs/dbraw/zinc/06/43/71/544064371.db2.gz KJFSARRRYZDCFI-KRWDZBQOSA-N 1 1 372.494 2.428 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000152156071 544620238 /nfs/dbraw/zinc/62/02/38/544620238.db2.gz SCWPDJSGOFSMMT-HNNXBMFYSA-N 1 1 358.490 2.209 10 30 FEEEMO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C#N ZINC000119237414 326140587 /nfs/dbraw/zinc/14/05/87/326140587.db2.gz ZWNWUBWCASQNLA-YOEHRIQHSA-N 1 1 372.469 2.129 10 30 FEEEMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000157925608 545800442 /nfs/dbraw/zinc/80/04/42/545800442.db2.gz GJTACUMKOYAHCZ-KRWDZBQOSA-N 1 1 367.453 2.336 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527069 546212998 /nfs/dbraw/zinc/21/29/98/546212998.db2.gz WQICINVVVNJGQN-QAPCUYQASA-N 1 1 370.432 2.389 10 30 FEEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527069 546213002 /nfs/dbraw/zinc/21/30/02/546213002.db2.gz WQICINVVVNJGQN-QAPCUYQASA-N 1 1 370.432 2.389 10 30 FEEEMO Cc1c(C#N)cccc1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000178577284 546814374 /nfs/dbraw/zinc/81/43/74/546814374.db2.gz IBCWWMUIXGSORL-IBGZPJMESA-N 1 1 364.449 2.407 10 30 FEEEMO N#Cc1ccc(OC2CCC(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000179578616 546980534 /nfs/dbraw/zinc/98/05/34/546980534.db2.gz LVDVTNRGQFQRNS-ADKAHSJRSA-N 1 1 369.469 2.133 10 30 FEEEMO COCC[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000181094642 547248775 /nfs/dbraw/zinc/24/87/75/547248775.db2.gz AQDXHTQCIHPMAM-ZDUSSCGKSA-N 1 1 352.276 2.473 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000190099473 548317614 /nfs/dbraw/zinc/31/76/14/548317614.db2.gz GVNFPYCTRWEIPE-DOTOQJQBSA-N 1 1 357.454 2.275 10 30 FEEEMO CC[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000246720441 549195849 /nfs/dbraw/zinc/19/58/49/549195849.db2.gz DOTSPLWZKIGEEJ-POAQFYNOSA-N 1 1 373.497 2.265 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246879191 549234556 /nfs/dbraw/zinc/23/45/56/549234556.db2.gz FSRVWPIWZRYEFI-GJZGRUSLSA-N 1 1 360.845 2.235 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(OC)c1 ZINC000247153665 549291072 /nfs/dbraw/zinc/29/10/72/549291072.db2.gz KDIIZTHUSFGFKO-QXAKKESOSA-N 1 1 360.498 2.332 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248450666 549440158 /nfs/dbraw/zinc/44/01/58/549440158.db2.gz JDMWNAWHBVZBKY-ZBFHGGJFSA-N 1 1 358.442 2.284 10 30 FEEEMO Cc1ccc(C#N)cc1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000069607023 541699036 /nfs/dbraw/zinc/69/90/36/541699036.db2.gz YLYUPKLQZPXYHZ-IBGZPJMESA-N 1 1 364.449 2.407 10 30 FEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000106181800 543214691 /nfs/dbraw/zinc/21/46/91/543214691.db2.gz JJWBUCCJDCMEFE-GOSISDBHSA-N 1 1 372.517 2.292 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192275549 328310329 /nfs/dbraw/zinc/31/03/29/328310329.db2.gz DKMHJTROMXELFI-INIZCTEOSA-N 1 1 360.458 2.155 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192275549 328310331 /nfs/dbraw/zinc/31/03/31/328310331.db2.gz DKMHJTROMXELFI-INIZCTEOSA-N 1 1 360.458 2.155 10 30 FEEEMO COc1cc(C#N)ccc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120868228 326294929 /nfs/dbraw/zinc/29/49/29/326294929.db2.gz KTTXUBKLWJDRER-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120868228 326294932 /nfs/dbraw/zinc/29/49/32/326294932.db2.gz KTTXUBKLWJDRER-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000171818262 327163553 /nfs/dbraw/zinc/16/35/53/327163553.db2.gz WQTAMPNPNMGIFQ-UHFFFAOYSA-N 1 1 365.481 2.442 10 30 FEEEMO CCCn1cc(C[N@H+]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000171818262 327163554 /nfs/dbraw/zinc/16/35/54/327163554.db2.gz WQTAMPNPNMGIFQ-UHFFFAOYSA-N 1 1 365.481 2.442 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175006885 327367418 /nfs/dbraw/zinc/36/74/18/327367418.db2.gz FSRVWPIWZRYEFI-LSDHHAIUSA-N 1 1 360.845 2.235 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247566402 549359085 /nfs/dbraw/zinc/35/90/85/549359085.db2.gz GPZRDHQBKKYGCZ-DHADLLTHSA-N 1 1 358.490 2.234 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247566402 549359088 /nfs/dbraw/zinc/35/90/88/549359088.db2.gz GPZRDHQBKKYGCZ-DHADLLTHSA-N 1 1 358.490 2.234 10 30 FEEEMO COc1ccc(C#N)cc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000159941084 545993726 /nfs/dbraw/zinc/99/37/26/545993726.db2.gz HXLWHKOOJCDTKT-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000159941084 545993731 /nfs/dbraw/zinc/99/37/31/545993731.db2.gz HXLWHKOOJCDTKT-UHFFFAOYSA-N 1 1 353.470 2.360 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1CC ZINC000172134613 546238391 /nfs/dbraw/zinc/23/83/91/546238391.db2.gz HGKYRGFOHHHZMF-KRWDZBQOSA-N 1 1 362.449 2.340 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000180905595 547206966 /nfs/dbraw/zinc/20/69/66/547206966.db2.gz KWAZRKCJVWERLU-AWEZNQCLSA-N 1 1 368.412 2.273 10 30 FEEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cn1 ZINC000186679462 548172980 /nfs/dbraw/zinc/17/29/80/548172980.db2.gz RQYMYTSWTXCKDT-UHFFFAOYSA-N 1 1 363.465 2.058 10 30 FEEEMO Cn1cc(C[N@H+]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cn1 ZINC000186679462 548172988 /nfs/dbraw/zinc/17/29/88/548172988.db2.gz RQYMYTSWTXCKDT-UHFFFAOYSA-N 1 1 363.465 2.058 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCCCC#N)CC1 ZINC000192244556 548361736 /nfs/dbraw/zinc/36/17/36/548361736.db2.gz OELZSZDOVSLZQG-UHFFFAOYSA-N 1 1 352.479 2.128 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCCCC#N)CC1 ZINC000192244556 548361737 /nfs/dbraw/zinc/36/17/37/548361737.db2.gz OELZSZDOVSLZQG-UHFFFAOYSA-N 1 1 352.479 2.128 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000195288446 548612757 /nfs/dbraw/zinc/61/27/57/548612757.db2.gz CNURYZIWTBBKLQ-IBGZPJMESA-N 1 1 363.465 2.346 10 30 FEEEMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246825182 549222533 /nfs/dbraw/zinc/22/25/33/549222533.db2.gz WUUMLVQOSHKHPI-IRXDYDNUSA-N 1 1 356.470 2.110 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000247012299 549264428 /nfs/dbraw/zinc/26/44/28/549264428.db2.gz RKFHLWIFVJHWMB-MSOLQXFVSA-N 1 1 357.502 2.431 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@H]1C ZINC000247166971 549294025 /nfs/dbraw/zinc/29/40/25/549294025.db2.gz QWNDDDANRMHEOC-APWZRJJASA-N 1 1 359.470 2.141 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@H]1C ZINC000247166971 549294026 /nfs/dbraw/zinc/29/40/26/549294026.db2.gz QWNDDDANRMHEOC-APWZRJJASA-N 1 1 359.470 2.141 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000247776870 549379525 /nfs/dbraw/zinc/37/95/25/549379525.db2.gz QVEAZVATWZJZDJ-MRXNPFEDSA-N 1 1 364.453 2.196 10 30 FEEEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000247776870 549379529 /nfs/dbraw/zinc/37/95/29/549379529.db2.gz QVEAZVATWZJZDJ-MRXNPFEDSA-N 1 1 364.453 2.196 10 30 FEEEMO C[C@H](O)C[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000247807269 549382038 /nfs/dbraw/zinc/38/20/38/549382038.db2.gz SYMSSBABCJLCRW-IRXDYDNUSA-N 1 1 368.481 2.125 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000247807269 549382042 /nfs/dbraw/zinc/38/20/42/549382042.db2.gz SYMSSBABCJLCRW-IRXDYDNUSA-N 1 1 368.481 2.125 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248680871 549482971 /nfs/dbraw/zinc/48/29/71/549482971.db2.gz OMRWEYZCTNGDOX-HOTGVXAUSA-N 1 1 371.485 2.138 10 30 FEEEMO N#CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000311577958 553754718 /nfs/dbraw/zinc/75/47/18/553754718.db2.gz WHUJXOVQHNGGKI-CEXWTWQISA-N 1 1 353.466 2.334 10 30 FEEEMO C=C(Br)CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190702025 672646677 /nfs/dbraw/zinc/64/66/77/672646677.db2.gz IBCDAZSOSCPSRG-HNNXBMFYSA-N 1 1 367.291 2.454 10 30 FEEEMO CC(=O)NCc1cc(O[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000886072145 688199593 /nfs/dbraw/zinc/19/95/93/688199593.db2.gz WJPWLUCHLWHUGX-KRWDZBQOSA-N 1 1 356.451 2.304 10 30 FEEEMO CC[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000106114423 543201532 /nfs/dbraw/zinc/20/15/32/543201532.db2.gz BEESZBJYQIHXLI-OALUTQOASA-N 1 1 372.513 2.364 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC ZINC000106119795 543203770 /nfs/dbraw/zinc/20/37/70/543203770.db2.gz QKEXQJLTKVIFSU-LPHOPBHVSA-N 1 1 358.486 2.318 10 30 FEEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000106179217 543213679 /nfs/dbraw/zinc/21/36/79/543213679.db2.gz LCFZHMFLOWTYTN-AWEZNQCLSA-N 1 1 358.471 2.179 10 30 FEEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000106179217 543213681 /nfs/dbraw/zinc/21/36/81/543213681.db2.gz LCFZHMFLOWTYTN-AWEZNQCLSA-N 1 1 358.471 2.179 10 30 FEEEMO C#CCOc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000121220264 543691054 /nfs/dbraw/zinc/69/10/54/543691054.db2.gz SSNDMQVDBDIYTR-UHFFFAOYSA-N 1 1 352.482 2.492 10 30 FEEEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000152177630 544622137 /nfs/dbraw/zinc/62/21/37/544622137.db2.gz LAHGDWJXBLWYDE-AWEZNQCLSA-N 1 1 352.442 2.376 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1CC ZINC000116771487 326033360 /nfs/dbraw/zinc/03/33/60/326033360.db2.gz SGMARQGBQRLLIY-SJLPKXTDSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1CC ZINC000116771487 326033363 /nfs/dbraw/zinc/03/33/63/326033363.db2.gz SGMARQGBQRLLIY-SJLPKXTDSA-N 1 1 359.470 2.285 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174600362 327337445 /nfs/dbraw/zinc/33/74/45/327337445.db2.gz KOLIBDCFUGIZSQ-QAPCUYQASA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000174600362 327337446 /nfs/dbraw/zinc/33/74/46/327337446.db2.gz KOLIBDCFUGIZSQ-QAPCUYQASA-N 1 1 361.511 2.095 10 30 FEEEMO CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O ZINC000174610724 327338612 /nfs/dbraw/zinc/33/86/12/327338612.db2.gz DFFRYIWVDNQXHQ-MJGOQNOKSA-N 1 1 373.497 2.411 10 30 FEEEMO N#Cc1ccc(CCC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000159357769 545946434 /nfs/dbraw/zinc/94/64/34/545946434.db2.gz BTEJDPZQGCMLCT-NRFANRHFSA-N 1 1 363.461 2.026 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000171527915 546213169 /nfs/dbraw/zinc/21/31/69/546213169.db2.gz AHCYZPJQVGKZON-IBGZPJMESA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000171527915 546213172 /nfs/dbraw/zinc/21/31/72/546213172.db2.gz AHCYZPJQVGKZON-IBGZPJMESA-N 1 1 366.469 2.479 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176890838 546501586 /nfs/dbraw/zinc/50/15/86/546501586.db2.gz LSDZKHOFJCPGAM-QGZVFWFLSA-N 1 1 372.469 2.250 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000177702918 546669990 /nfs/dbraw/zinc/66/99/90/546669990.db2.gz IOKLHLGXCHAOSZ-GOSISDBHSA-N 1 1 366.469 2.099 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000190339635 548323803 /nfs/dbraw/zinc/32/38/03/548323803.db2.gz CNSLONOXIJITCI-DLBZAZTESA-N 1 1 357.454 2.275 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232572 548361693 /nfs/dbraw/zinc/36/16/93/548361693.db2.gz TZQSROUKZUQSIY-OAHLLOKOSA-N 1 1 360.520 2.020 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232572 548361695 /nfs/dbraw/zinc/36/16/95/548361695.db2.gz TZQSROUKZUQSIY-OAHLLOKOSA-N 1 1 360.520 2.020 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000195301260 548617432 /nfs/dbraw/zinc/61/74/32/548617432.db2.gz UUFZRBVHAPJDLC-LJQANCHMSA-N 1 1 369.513 2.178 10 30 FEEEMO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C#N ZINC000246278899 549094881 /nfs/dbraw/zinc/09/48/81/549094881.db2.gz ZWNWUBWCASQNLA-RHSMWYFYSA-N 1 1 372.469 2.129 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000246460344 549138169 /nfs/dbraw/zinc/13/81/69/549138169.db2.gz FWGPEKITVBTASG-OLZOCXBDSA-N 1 1 355.410 2.084 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246824633 549222098 /nfs/dbraw/zinc/22/20/98/549222098.db2.gz NWXNKRXICZFXTD-BBRMVZONSA-N 1 1 361.417 2.263 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246824633 549222100 /nfs/dbraw/zinc/22/21/00/549222100.db2.gz NWXNKRXICZFXTD-BBRMVZONSA-N 1 1 361.417 2.263 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000248545213 549455326 /nfs/dbraw/zinc/45/53/26/549455326.db2.gz JBCJXRUMOZJDTO-KBPBESRZSA-N 1 1 353.875 2.459 10 30 FEEEMO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCCN1C ZINC000262039203 672908488 /nfs/dbraw/zinc/90/84/88/672908488.db2.gz YAOPPQXFONSAPK-GJZGRUSLSA-N 1 1 359.301 2.286 10 30 FEEEMO NC(=[NH2+])Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000014960712 211106553 /nfs/dbraw/zinc/10/65/53/211106553.db2.gz QABOEPAYXSLSDJ-UHFFFAOYSA-N 1 1 367.862 2.014 10 30 FEEEMO N#CCCN(C(=O)C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000106082556 543192158 /nfs/dbraw/zinc/19/21/58/543192158.db2.gz GEGZFLNSQDCDFZ-UHFFFAOYSA-N 1 1 364.453 2.300 10 30 FEEEMO C[C@@H](O)C[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000106099926 543196480 /nfs/dbraw/zinc/19/64/80/543196480.db2.gz SYMSSBABCJLCRW-IAGOWNOFSA-N 1 1 368.481 2.125 10 30 FEEEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000106099926 543196482 /nfs/dbraw/zinc/19/64/82/543196482.db2.gz SYMSSBABCJLCRW-IAGOWNOFSA-N 1 1 368.481 2.125 10 30 FEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181171 543214522 /nfs/dbraw/zinc/21/45/22/543214522.db2.gz QTVQPXJIPAVVJY-QGZVFWFLSA-N 1 1 352.442 2.117 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218350 543219309 /nfs/dbraw/zinc/21/93/09/543219309.db2.gz GPZRDHQBKKYGCZ-ISXWCOSWSA-N 1 1 358.490 2.234 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218350 543219311 /nfs/dbraw/zinc/21/93/11/543219311.db2.gz GPZRDHQBKKYGCZ-ISXWCOSWSA-N 1 1 358.490 2.234 10 30 FEEEMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302852 544636499 /nfs/dbraw/zinc/63/64/99/544636499.db2.gz ZZFRCKNXJLLWPX-LJQANCHMSA-N 1 1 350.422 2.482 10 30 FEEEMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302852 544636502 /nfs/dbraw/zinc/63/65/02/544636502.db2.gz ZZFRCKNXJLLWPX-LJQANCHMSA-N 1 1 350.422 2.482 10 30 FEEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000153563292 544791753 /nfs/dbraw/zinc/79/17/53/544791753.db2.gz MBXPYJWHNGATSS-INIZCTEOSA-N 1 1 354.372 2.343 10 30 FEEEMO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000185412153 327915036 /nfs/dbraw/zinc/91/50/36/327915036.db2.gz NSRYLHDHWVCAKJ-MRXNPFEDSA-N 1 1 359.451 2.148 10 30 FEEEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820709 328397051 /nfs/dbraw/zinc/39/70/51/328397051.db2.gz NAXZUYBHRBFXGV-GFCCVEGCSA-N 1 1 361.389 2.340 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000117294378 326056123 /nfs/dbraw/zinc/05/61/23/326056123.db2.gz VWQZJCCTGBMEPM-KRWDZBQOSA-N 1 1 359.470 2.286 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000117294378 326056125 /nfs/dbraw/zinc/05/61/25/326056125.db2.gz VWQZJCCTGBMEPM-KRWDZBQOSA-N 1 1 359.470 2.286 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC ZINC000177055037 546533619 /nfs/dbraw/zinc/53/36/19/546533619.db2.gz JWXMWCZIGJBBFK-MOPGFXCFSA-N 1 1 359.470 2.205 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000180826807 547188276 /nfs/dbraw/zinc/18/82/76/547188276.db2.gz HCXVOOQZEFWCLX-INIZCTEOSA-N 1 1 357.479 2.498 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192161846 548359713 /nfs/dbraw/zinc/35/97/13/548359713.db2.gz FXWOSJUTNCRNRX-MRXNPFEDSA-N 1 1 372.469 2.221 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192161846 548359716 /nfs/dbraw/zinc/35/97/16/548359716.db2.gz FXWOSJUTNCRNRX-MRXNPFEDSA-N 1 1 372.469 2.221 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(OC)c1 ZINC000247153648 549291960 /nfs/dbraw/zinc/29/19/60/549291960.db2.gz KDIIZTHUSFGFKO-NZSAHSFTSA-N 1 1 360.498 2.332 10 30 FEEEMO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000247243610 549304678 /nfs/dbraw/zinc/30/46/78/549304678.db2.gz NESMFBXRULMOPJ-DLBZAZTESA-N 1 1 372.469 2.366 10 30 FEEEMO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000247804345 549381634 /nfs/dbraw/zinc/38/16/34/549381634.db2.gz SFKPBOOVLJGPEE-GUDVDZBRSA-N 1 1 372.513 2.099 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000249148876 549561471 /nfs/dbraw/zinc/56/14/71/549561471.db2.gz GVNFPYCTRWEIPE-RDJZCZTQSA-N 1 1 357.454 2.275 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249153544 549561563 /nfs/dbraw/zinc/56/15/63/549561563.db2.gz HWBHOGYULCVBLP-WBVHZDCISA-N 1 1 370.453 2.003 10 30 FEEEMO COc1c(O)cc2c(c1OC)[C@]13C=C(OC)C(=O)C=C1[C@H](CC2)[N@H+](C)CC3 ZINC000013359558 560214983 /nfs/dbraw/zinc/21/49/83/560214983.db2.gz IJGDMFUAWANQSX-LHSJRXKWSA-N 1 1 371.433 2.337 10 30 in-vitro FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000180830637 672418848 /nfs/dbraw/zinc/41/88/48/672418848.db2.gz DTVNKTUHUCLASA-AWEZNQCLSA-N 1 1 361.442 2.496 10 30 FEEEMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000025698551 539766453 /nfs/dbraw/zinc/76/64/53/539766453.db2.gz RQVDIPNKNBNULS-VXKWHMMOSA-N 1 1 365.477 2.447 10 30 FEEEMO N#Cc1cc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1F ZINC000077497908 542389046 /nfs/dbraw/zinc/38/90/46/542389046.db2.gz NYLIUDVAOMHBKI-SFHVURJKSA-N 1 1 368.412 2.238 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000106108876 543199773 /nfs/dbraw/zinc/19/97/73/543199773.db2.gz RSINCEYPVDNWNZ-KRWDZBQOSA-N 1 1 368.481 2.390 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000106108876 543199775 /nfs/dbraw/zinc/19/97/75/543199775.db2.gz RSINCEYPVDNWNZ-KRWDZBQOSA-N 1 1 368.481 2.390 10 30 FEEEMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000106130873 543206077 /nfs/dbraw/zinc/20/60/77/543206077.db2.gz KBQDOKDJOGBHLD-UHFFFAOYSA-N 1 1 353.470 2.230 10 30 FEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000247475083 549339717 /nfs/dbraw/zinc/33/97/17/549339717.db2.gz SAIMKYGKIJXEEG-MJGOQNOKSA-N 1 1 368.481 2.409 10 30 FEEEMO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOCC)[C@H](CC)C2)CC1 ZINC000117046828 543621450 /nfs/dbraw/zinc/62/14/50/543621450.db2.gz AWXZJPUGZDNKQO-LJQANCHMSA-N 1 1 366.550 2.169 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000185658543 327926649 /nfs/dbraw/zinc/92/66/49/327926649.db2.gz RAUAZIUMDDAWJB-HNNXBMFYSA-N 1 1 374.466 2.352 10 30 FEEEMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)c(F)c1 ZINC000114503742 325901241 /nfs/dbraw/zinc/90/12/41/325901241.db2.gz HDSYDHQCNPBEBL-LJQANCHMSA-N 1 1 369.440 2.397 10 30 FEEEMO Cc1noc([C@H](C)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000156188183 326820998 /nfs/dbraw/zinc/82/09/98/326820998.db2.gz UQWYSXNTNWITII-HNNXBMFYSA-N 1 1 355.442 2.397 10 30 FEEEMO Cc1ncc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000170941768 327109076 /nfs/dbraw/zinc/10/90/76/327109076.db2.gz GJAQSCITTWJSKJ-UHFFFAOYSA-N 1 1 369.494 2.470 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000184608947 547853105 /nfs/dbraw/zinc/85/31/05/547853105.db2.gz JDMWNAWHBVZBKY-GOEBONIOSA-N 1 1 358.442 2.284 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232578 548360934 /nfs/dbraw/zinc/36/09/34/548360934.db2.gz TZQSROUKZUQSIY-HNNXBMFYSA-N 1 1 360.520 2.020 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232578 548360942 /nfs/dbraw/zinc/36/09/42/548360942.db2.gz TZQSROUKZUQSIY-HNNXBMFYSA-N 1 1 360.520 2.020 10 30 FEEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248501438 549451158 /nfs/dbraw/zinc/45/11/58/549451158.db2.gz TXJFGUPRJIZCKZ-FUHWJXTLSA-N 1 1 361.486 2.238 10 30 FEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180454 549565365 /nfs/dbraw/zinc/56/53/65/549565365.db2.gz NCJZQVKGRKHXOH-GJZGRUSLSA-N 1 1 372.494 2.326 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108611173 543297181 /nfs/dbraw/zinc/29/71/81/543297181.db2.gz JCWBTCQKTVIEOL-GJZGRUSLSA-N 1 1 374.510 2.477 10 30 FEEEMO C[C@@H](O)C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120582456 543682565 /nfs/dbraw/zinc/68/25/65/543682565.db2.gz LVKIYTMMFDPFAT-ZWKOTPCHSA-N 1 1 367.497 2.351 10 30 FEEEMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132403675 544230066 /nfs/dbraw/zinc/23/00/66/544230066.db2.gz ZVJNDZKDCROLMU-LPHOPBHVSA-N 1 1 358.486 2.445 10 30 FEEEMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302769 544636704 /nfs/dbraw/zinc/63/67/04/544636704.db2.gz ZZFRCKNXJLLWPX-IBGZPJMESA-N 1 1 350.422 2.482 10 30 FEEEMO N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302769 544636711 /nfs/dbraw/zinc/63/67/11/544636711.db2.gz ZZFRCKNXJLLWPX-IBGZPJMESA-N 1 1 350.422 2.482 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449280 328208277 /nfs/dbraw/zinc/20/82/77/328208277.db2.gz ZGGBMSSTFOWALN-OAHLLOKOSA-N 1 1 352.398 2.215 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000128576361 326526254 /nfs/dbraw/zinc/52/62/54/326526254.db2.gz AXTBVPVSADWAJY-QGZVFWFLSA-N 1 1 358.467 2.484 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940707 327108421 /nfs/dbraw/zinc/10/84/21/327108421.db2.gz MMXKCRPEEDXFQE-GOSISDBHSA-N 1 1 364.453 2.278 10 30 FEEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000171701995 327156103 /nfs/dbraw/zinc/15/61/03/327156103.db2.gz ZNZINQJWFLIVPF-CYBMUJFWSA-N 1 1 370.482 2.366 10 30 FEEEMO C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173866870 327289748 /nfs/dbraw/zinc/28/97/48/327289748.db2.gz BSYJKFIAPTUIDB-FXAWDEMLSA-N 1 1 371.481 2.286 10 30 FEEEMO CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000174615968 327338779 /nfs/dbraw/zinc/33/87/79/327338779.db2.gz DOTSPLWZKIGEEJ-YVWKXTFCSA-N 1 1 373.497 2.265 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1CC ZINC000172132978 546238421 /nfs/dbraw/zinc/23/84/21/546238421.db2.gz QQBQXNUVLAVNEB-GOSISDBHSA-N 1 1 374.485 2.231 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247246339 549306494 /nfs/dbraw/zinc/30/64/94/549306494.db2.gz YLMPZBFELIRVGT-DLBZAZTESA-N 1 1 363.527 2.058 10 30 FEEEMO COc1cc(C[N@H+]2CCC[C@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N ZINC000285617082 551783698 /nfs/dbraw/zinc/78/36/98/551783698.db2.gz VSHGFHOVTKCZRT-LJQANCHMSA-N 1 1 355.442 2.223 10 30 FEEEMO N#CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193039536 672710227 /nfs/dbraw/zinc/71/02/27/672710227.db2.gz OFBXAVVGYWQXOL-HUUCEWRRSA-N 1 1 350.344 2.173 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000106107885 543198837 /nfs/dbraw/zinc/19/88/37/543198837.db2.gz SYHBZZJCMLESMV-SJORKVTESA-N 1 1 365.543 2.304 10 30 FEEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000106107885 543198839 /nfs/dbraw/zinc/19/88/39/543198839.db2.gz SYHBZZJCMLESMV-SJORKVTESA-N 1 1 365.543 2.304 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1CC ZINC000106119500 543203479 /nfs/dbraw/zinc/20/34/79/543203479.db2.gz SJMCPWOMRSTMTH-MRXNPFEDSA-N 1 1 364.515 2.381 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)n1 ZINC000106203334 543217274 /nfs/dbraw/zinc/21/72/74/543217274.db2.gz CVUWFJVVGBIXEW-MRXNPFEDSA-N 1 1 373.482 2.163 10 30 FEEEMO Cc1cc(C)n(C[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)n1 ZINC000106203334 543217276 /nfs/dbraw/zinc/21/72/76/543217276.db2.gz CVUWFJVVGBIXEW-MRXNPFEDSA-N 1 1 373.482 2.163 10 30 FEEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000106208693 543218546 /nfs/dbraw/zinc/21/85/46/543218546.db2.gz RAWFCMVFZQMZGT-PKOBYXMFSA-N 1 1 354.454 2.485 10 30 FEEEMO N#CCCn1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000120969257 543687477 /nfs/dbraw/zinc/68/74/77/543687477.db2.gz JIUOGOFHMWPNDD-FQEVSTJZSA-N 1 1 365.481 2.370 10 30 FEEEMO COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071649 543688819 /nfs/dbraw/zinc/68/88/19/543688819.db2.gz KQBVDKAPGJGIGE-GOSISDBHSA-N 1 1 359.470 2.284 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000130642614 544159287 /nfs/dbraw/zinc/15/92/87/544159287.db2.gz CXJSBOZVAOYFNS-HZPDHXFCSA-N 1 1 362.470 2.177 10 30 FEEEMO C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N1CC[NH+](C)CC1 ZINC000171243690 327127224 /nfs/dbraw/zinc/12/72/24/327127224.db2.gz QAKBOFAIOVXOAU-AWEZNQCLSA-N 1 1 369.494 2.180 10 30 FEEEMO CCn1cnnc1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000155410827 545523510 /nfs/dbraw/zinc/52/35/10/545523510.db2.gz MSFXONZFJAQSOP-UHFFFAOYSA-N 1 1 366.469 2.424 10 30 FEEEMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1C ZINC000171526372 546212464 /nfs/dbraw/zinc/21/24/64/546212464.db2.gz YKSYEVVDAMCGQB-SFHVURJKSA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1C ZINC000171526372 546212466 /nfs/dbraw/zinc/21/24/66/546212466.db2.gz YKSYEVVDAMCGQB-SFHVURJKSA-N 1 1 366.469 2.479 10 30 FEEEMO N#Cc1ccccc1/C=C/C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000178582422 546815652 /nfs/dbraw/zinc/81/56/52/546815652.db2.gz HYNXLOQEBSTIAL-GLCJEOIMSA-N 1 1 361.445 2.107 10 30 FEEEMO C#Cc1cccc(NC(=O)C[N@H+](C)CC2(O)CCC(C(=O)OCC)CC2)c1 ZINC000190822115 548334993 /nfs/dbraw/zinc/33/49/93/548334993.db2.gz DMTNCICLNKLLGX-UHFFFAOYSA-N 1 1 372.465 2.023 10 30 FEEEMO CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O ZINC000246716913 549195714 /nfs/dbraw/zinc/19/57/14/549195714.db2.gz DFFRYIWVDNQXHQ-HKUYNNGSSA-N 1 1 373.497 2.411 10 30 FEEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(OC)c1 ZINC000247153632 549291836 /nfs/dbraw/zinc/29/18/36/549291836.db2.gz KDIIZTHUSFGFKO-BHIYHBOVSA-N 1 1 360.498 2.332 10 30 FEEEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108945 543199718 /nfs/dbraw/zinc/19/97/18/543199718.db2.gz SAKSCBCQKZGQMZ-KBPBESRZSA-N 1 1 364.877 2.191 10 30 FEEEMO COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108945 543199719 /nfs/dbraw/zinc/19/97/19/543199719.db2.gz SAKSCBCQKZGQMZ-KBPBESRZSA-N 1 1 364.877 2.191 10 30 FEEEMO CN(C(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1)C1(C#N)CCCCC1 ZINC000106079466 543191526 /nfs/dbraw/zinc/19/15/26/543191526.db2.gz KAKMQFWAEQLZRQ-QGZVFWFLSA-N 1 1 370.501 2.062 10 30 FEEEMO C[C@@H](O)C[N@@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000106099929 543196475 /nfs/dbraw/zinc/19/64/75/543196475.db2.gz SYMSSBABCJLCRW-DLBZAZTESA-N 1 1 368.481 2.125 10 30 FEEEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000106099929 543196477 /nfs/dbraw/zinc/19/64/77/543196477.db2.gz SYMSSBABCJLCRW-DLBZAZTESA-N 1 1 368.481 2.125 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000127897666 544020116 /nfs/dbraw/zinc/02/01/16/544020116.db2.gz ZHUBYEKVRDLUMB-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000127897666 544020118 /nfs/dbraw/zinc/02/01/18/544020118.db2.gz ZHUBYEKVRDLUMB-INIZCTEOSA-N 1 1 362.470 2.443 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1CC ZINC000155236632 545004292 /nfs/dbraw/zinc/00/42/92/545004292.db2.gz RWRMWBKVSZOOMT-AWEZNQCLSA-N 1 1 351.397 2.409 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1CC ZINC000155236632 545004294 /nfs/dbraw/zinc/00/42/94/545004294.db2.gz RWRMWBKVSZOOMT-AWEZNQCLSA-N 1 1 351.397 2.409 10 30 FEEEMO CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O ZINC000174610712 327338425 /nfs/dbraw/zinc/33/84/25/327338425.db2.gz DFFRYIWVDNQXHQ-IEBWSBKVSA-N 1 1 373.497 2.411 10 30 FEEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000157922816 545799945 /nfs/dbraw/zinc/79/99/45/545799945.db2.gz GEEOBKVVKDOKNS-UHFFFAOYSA-N 1 1 367.453 2.256 10 30 FEEEMO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177386823 546607331 /nfs/dbraw/zinc/60/73/31/546607331.db2.gz PUUASXVYVZCEID-HNNXBMFYSA-N 1 1 372.494 2.328 10 30 FEEEMO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000177386823 546607336 /nfs/dbraw/zinc/60/73/36/546607336.db2.gz PUUASXVYVZCEID-HNNXBMFYSA-N 1 1 372.494 2.328 10 30 FEEEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000181247134 547280172 /nfs/dbraw/zinc/28/01/72/547280172.db2.gz LPKWFRAZIHLDDL-QGZVFWFLSA-N 1 1 360.458 2.266 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC ZINC000246410020 549127365 /nfs/dbraw/zinc/12/73/65/549127365.db2.gz JWXMWCZIGJBBFK-RBUKOAKNSA-N 1 1 359.470 2.205 10 30 FEEEMO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000247804347 549382092 /nfs/dbraw/zinc/38/20/92/549382092.db2.gz SFKPBOOVLJGPEE-IPMKNSEASA-N 1 1 372.513 2.099 10 30 FEEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)cc1 ZINC000284633934 551595185 /nfs/dbraw/zinc/59/51/85/551595185.db2.gz QPKPKLWZJLCPEC-PKOBYXMFSA-N 1 1 351.454 2.447 10 30 FEEEMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C#CCCO)cc3)C2)C1 ZINC000014964865 210146079 /nfs/dbraw/zinc/14/60/79/210146079.db2.gz SECMCDFHMMYRBR-JOCHJYFZSA-N 1 1 356.510 2.355 10 30 FEEEMO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(C#CCCO)cc3)C2)C1 ZINC000014964865 210146096 /nfs/dbraw/zinc/14/60/96/210146096.db2.gz SECMCDFHMMYRBR-JOCHJYFZSA-N 1 1 356.510 2.355 10 30 FEEEMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)C1 ZINC000014964865 210146100 /nfs/dbraw/zinc/14/61/00/210146100.db2.gz SECMCDFHMMYRBR-JOCHJYFZSA-N 1 1 356.510 2.355 10 30 FEEEMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230811 539751501 /nfs/dbraw/zinc/75/15/01/539751501.db2.gz ZOGNRUPYILYHKS-AWEZNQCLSA-N 1 1 356.447 2.393 10 30 FEEEMO CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000106102661 543197072 /nfs/dbraw/zinc/19/70/72/543197072.db2.gz SFKPBOOVLJGPEE-CEXWTWQISA-N 1 1 372.513 2.099 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117618 543202951 /nfs/dbraw/zinc/20/29/51/543202951.db2.gz TYRQJYXDDXYKJX-SFHVURJKSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117618 543202952 /nfs/dbraw/zinc/20/29/52/543202952.db2.gz TYRQJYXDDXYKJX-SFHVURJKSA-N 1 1 358.486 2.320 10 30 FEEEMO CCOCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117618 543202953 /nfs/dbraw/zinc/20/29/53/543202953.db2.gz TYRQJYXDDXYKJX-SFHVURJKSA-N 1 1 358.486 2.320 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1Cl ZINC000106191107 543215150 /nfs/dbraw/zinc/21/51/50/543215150.db2.gz FWPGOKARHGNHCC-MRXNPFEDSA-N 1 1 373.844 2.138 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1Cl ZINC000106191107 543215152 /nfs/dbraw/zinc/21/51/52/543215152.db2.gz FWPGOKARHGNHCC-MRXNPFEDSA-N 1 1 373.844 2.138 10 30 FEEEMO C=CCc1cc(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)cc(OC)c1OC ZINC000117291622 543627642 /nfs/dbraw/zinc/62/76/42/543627642.db2.gz LYBYQFGUUGJLKK-OAHLLOKOSA-N 1 1 362.470 2.225 10 30 FEEEMO C=CCc1cc(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)cc(OC)c1OC ZINC000117291622 543627644 /nfs/dbraw/zinc/62/76/44/543627644.db2.gz LYBYQFGUUGJLKK-OAHLLOKOSA-N 1 1 362.470 2.225 10 30 FEEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000153563410 544792056 /nfs/dbraw/zinc/79/20/56/544792056.db2.gz MBXPYJWHNGATSS-MRXNPFEDSA-N 1 1 354.372 2.343 10 30 FEEEMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247530771 549351455 /nfs/dbraw/zinc/35/14/55/549351455.db2.gz ZVJNDZKDCROLMU-QFBILLFUSA-N 1 1 358.486 2.445 10 30 FEEEMO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1F ZINC000192008603 328293683 /nfs/dbraw/zinc/29/36/83/328293683.db2.gz KIRNFFXOWKTHMH-LJQANCHMSA-N 1 1 369.440 2.255 10 30 FEEEMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644070 327150835 /nfs/dbraw/zinc/15/08/35/327150835.db2.gz ZJEHVRQRLMLGAR-MSOLQXFVSA-N 1 1 352.438 2.127 10 30 FEEEMO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000172271882 546243754 /nfs/dbraw/zinc/24/37/54/546243754.db2.gz NESMFBXRULMOPJ-SJORKVTESA-N 1 1 372.469 2.366 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000176010038 546390043 /nfs/dbraw/zinc/39/00/43/546390043.db2.gz POICBDXHNBQFTO-OAHLLOKOSA-N 1 1 369.400 2.258 10 30 FEEEMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000195195811 548594188 /nfs/dbraw/zinc/59/41/88/548594188.db2.gz QPBZBIOIULTXLB-SFHVURJKSA-N 1 1 364.445 2.374 10 30 FEEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000247334867 549320232 /nfs/dbraw/zinc/32/02/32/549320232.db2.gz NDWLQARUZNNPIH-MAUKXSAKSA-N 1 1 373.476 2.258 10 30 FEEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247777487 549379716 /nfs/dbraw/zinc/37/97/16/549379716.db2.gz RAWFCMVFZQMZGT-IEBWSBKVSA-N 1 1 354.454 2.485 10 30 FEEEMO C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c(OC)c1 ZINC000248327406 549418873 /nfs/dbraw/zinc/41/88/73/549418873.db2.gz CJVMXNSMJKWMQX-OALUTQOASA-N 1 1 360.498 2.334 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387945 549425779 /nfs/dbraw/zinc/42/57/79/549425779.db2.gz CLWBKUAOKVGICK-IRXDYDNUSA-N 1 1 365.441 2.229 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000248837424 549510651 /nfs/dbraw/zinc/51/06/51/549510651.db2.gz HCWWPDRSINBKLR-SJORKVTESA-N 1 1 371.485 2.156 10 30 FEEEMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000072866991 541884960 /nfs/dbraw/zinc/88/49/60/541884960.db2.gz FIIBWFJXTJTTKM-OALUTQOASA-N 1 1 354.454 2.230 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000103478589 543111338 /nfs/dbraw/zinc/11/13/38/543111338.db2.gz JFALPGXWQIFDKO-KRWDZBQOSA-N 1 1 366.469 2.424 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000103478589 543111339 /nfs/dbraw/zinc/11/13/39/543111339.db2.gz JFALPGXWQIFDKO-KRWDZBQOSA-N 1 1 366.469 2.424 10 30 FEEEMO Cc1ccc(N2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)CC2)nn1 ZINC000106074154 543190087 /nfs/dbraw/zinc/19/00/87/543190087.db2.gz WPPLQTAAAISOBU-UHFFFAOYSA-N 1 1 370.482 2.259 10 30 FEEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077239 543191068 /nfs/dbraw/zinc/19/10/68/543191068.db2.gz FRMCDLJLHLQPDE-NVXWUHKLSA-N 1 1 364.453 2.276 10 30 FEEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082798 543192510 /nfs/dbraw/zinc/19/25/10/543192510.db2.gz BQEIMNLNKOKHSX-AWEZNQCLSA-N 1 1 350.426 2.252 10 30 FEEEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000106111574 543201210 /nfs/dbraw/zinc/20/12/10/543201210.db2.gz FAUWVOCDNJEXMW-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000106111574 543201211 /nfs/dbraw/zinc/20/12/11/543201211.db2.gz FAUWVOCDNJEXMW-AWEZNQCLSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC ZINC000106119793 543203874 /nfs/dbraw/zinc/20/38/74/543203874.db2.gz QKEXQJLTKVIFSU-QFBILLFUSA-N 1 1 358.486 2.318 10 30 FEEEMO N#Cc1cccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000106205119 543218638 /nfs/dbraw/zinc/21/86/38/543218638.db2.gz LOWLUAFDJOCKCV-HXUWFJFHSA-N 1 1 351.450 2.116 10 30 FEEEMO C=CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000112719047 543459730 /nfs/dbraw/zinc/45/97/30/543459730.db2.gz MEGVXEIKSXRSCS-UHFFFAOYSA-N 1 1 351.520 2.040 10 30 FEEEMO C=CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000112719047 543459733 /nfs/dbraw/zinc/45/97/33/543459733.db2.gz MEGVXEIKSXRSCS-UHFFFAOYSA-N 1 1 351.520 2.040 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125751608 543899348 /nfs/dbraw/zinc/89/93/48/543899348.db2.gz AZJNQEXULCFVEN-CYBMUJFWSA-N 1 1 366.393 2.195 10 30 FEEEMO N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1F ZINC000192008609 328293640 /nfs/dbraw/zinc/29/36/40/328293640.db2.gz KIRNFFXOWKTHMH-IBGZPJMESA-N 1 1 369.440 2.255 10 30 FEEEMO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000172120750 327182070 /nfs/dbraw/zinc/18/20/70/327182070.db2.gz WTTXQJNBDFWFSV-FQEVSTJZSA-N 1 1 364.449 2.119 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247566411 549358609 /nfs/dbraw/zinc/35/86/09/549358609.db2.gz GPZRDHQBKKYGCZ-VZDIDWBNSA-N 1 1 358.490 2.234 10 30 FEEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247566411 549358612 /nfs/dbraw/zinc/35/86/12/549358612.db2.gz GPZRDHQBKKYGCZ-VZDIDWBNSA-N 1 1 358.490 2.234 10 30 FEEEMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173554481 546283104 /nfs/dbraw/zinc/28/31/04/546283104.db2.gz RTGDTPKRBXTEDM-INIZCTEOSA-N 1 1 357.454 2.295 10 30 FEEEMO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177874156 546700073 /nfs/dbraw/zinc/70/00/73/546700073.db2.gz KPAPOBODTJPXSD-RHSMWYFYSA-N 1 1 361.417 2.022 10 30 FEEEMO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177874144 546700336 /nfs/dbraw/zinc/70/03/36/546700336.db2.gz KPAPOBODTJPXSD-YOEHRIQHSA-N 1 1 361.417 2.022 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294885 546770184 /nfs/dbraw/zinc/77/01/84/546770184.db2.gz GJARQNUOBUHGRN-KRWDZBQOSA-N 1 1 358.467 2.002 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000181183538 547265290 /nfs/dbraw/zinc/26/52/90/547265290.db2.gz YXZUQZQRQSGHCK-GDBMZVCRSA-N 1 1 360.458 2.266 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000245741573 548986230 /nfs/dbraw/zinc/98/62/30/548986230.db2.gz LVKIYTMMFDPFAT-MSOLQXFVSA-N 1 1 367.497 2.351 10 30 FEEEMO C[C@H](O)C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000245741574 548986372 /nfs/dbraw/zinc/98/63/72/548986372.db2.gz LVKIYTMMFDPFAT-ROUUACIJSA-N 1 1 367.497 2.351 10 30 FEEEMO CCOCC[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000247263508 549308493 /nfs/dbraw/zinc/30/84/93/549308493.db2.gz FKRMGQYMNPCGBU-OAHLLOKOSA-N 1 1 355.442 2.151 10 30 FEEEMO CCOCC[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000247263508 549308496 /nfs/dbraw/zinc/30/84/96/549308496.db2.gz FKRMGQYMNPCGBU-OAHLLOKOSA-N 1 1 355.442 2.151 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1CC ZINC000247873179 549388238 /nfs/dbraw/zinc/38/82/38/549388238.db2.gz XYKDNNCBICNMFI-QZTJIDSGSA-N 1 1 364.534 2.150 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000247873043 549388957 /nfs/dbraw/zinc/38/89/57/549388957.db2.gz XWYUPDRSBNIIGU-RBUKOAKNSA-N 1 1 372.513 2.364 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000247873043 549388961 /nfs/dbraw/zinc/38/89/61/549388961.db2.gz XWYUPDRSBNIIGU-RBUKOAKNSA-N 1 1 372.513 2.364 10 30 FEEEMO N#CC1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000311577961 553754820 /nfs/dbraw/zinc/75/48/20/553754820.db2.gz WHUJXOVQHNGGKI-IPMKNSEASA-N 1 1 353.466 2.334 10 30 FEEEMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000028922723 539839927 /nfs/dbraw/zinc/83/99/27/539839927.db2.gz PYZCVDLCNAAHTQ-KRWDZBQOSA-N 1 1 350.418 2.332 10 30 FEEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079407 543191569 /nfs/dbraw/zinc/19/15/69/543191569.db2.gz QHZVYCNULAMECL-MAUKXSAKSA-N 1 1 364.453 2.276 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079747 543191657 /nfs/dbraw/zinc/19/16/57/543191657.db2.gz SSJDJTBLPKEYMK-SFHVURJKSA-N 1 1 364.453 2.278 10 30 FEEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079409 543191749 /nfs/dbraw/zinc/19/17/49/543191749.db2.gz QHZVYCNULAMECL-CRAIPNDOSA-N 1 1 364.453 2.276 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)n1 ZINC000106203988 543218178 /nfs/dbraw/zinc/21/81/78/543218178.db2.gz UNPXEUFSBIXRGX-IBGZPJMESA-N 1 1 367.453 2.101 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)n1 ZINC000106203988 543218180 /nfs/dbraw/zinc/21/81/80/543218180.db2.gz UNPXEUFSBIXRGX-IBGZPJMESA-N 1 1 367.453 2.101 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108611190 543297677 /nfs/dbraw/zinc/29/76/77/543297677.db2.gz CDESZXZNOPNRAK-CQSZACIVSA-N 1 1 360.483 2.231 10 30 FEEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3cccc(C#N)c3)CC2)cn1 ZINC000112716522 543459892 /nfs/dbraw/zinc/45/98/92/543459892.db2.gz STCAFYBNSFKPMN-UHFFFAOYSA-N 1 1 366.469 2.192 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(C(=O)NCc3cccc(C#N)c3)CC2)cn1 ZINC000112716522 543459896 /nfs/dbraw/zinc/45/98/96/543459896.db2.gz STCAFYBNSFKPMN-UHFFFAOYSA-N 1 1 366.469 2.192 10 30 FEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000150774308 544469191 /nfs/dbraw/zinc/46/91/91/544469191.db2.gz FFKMVRKGOLKVRG-YJBOKZPZSA-N 1 1 372.469 2.153 10 30 FEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)[C@@H](C)C1 ZINC000150785443 544471112 /nfs/dbraw/zinc/47/11/12/544471112.db2.gz KHBKXWYTNXQXCD-HOCLYGCPSA-N 1 1 374.510 2.476 10 30 FEEEMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177192668 327505252 /nfs/dbraw/zinc/50/52/52/327505252.db2.gz DLKCVOKFMIJMJU-INIZCTEOSA-N 1 1 354.410 2.142 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178519039 327590116 /nfs/dbraw/zinc/59/01/16/327590116.db2.gz AVRNJDVQUZWNSD-MRXNPFEDSA-N 1 1 351.410 2.001 10 30 FEEEMO Cn1cc(CN2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cn1 ZINC000156206002 545607992 /nfs/dbraw/zinc/60/79/92/545607992.db2.gz BYWHLBBFSMRINH-UHFFFAOYSA-N 1 1 353.470 2.269 10 30 FEEEMO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177386884 546606951 /nfs/dbraw/zinc/60/69/51/546606951.db2.gz VFCPHDYXZMHCKI-QGZVFWFLSA-N 1 1 370.453 2.004 10 30 FEEEMO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177386884 546606956 /nfs/dbraw/zinc/60/69/56/546606956.db2.gz VFCPHDYXZMHCKI-QGZVFWFLSA-N 1 1 370.453 2.004 10 30 FEEEMO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177874167 546700018 /nfs/dbraw/zinc/70/00/18/546700018.db2.gz KPAPOBODTJPXSD-WMLDXEAASA-N 1 1 361.417 2.022 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192161853 548360157 /nfs/dbraw/zinc/36/01/57/548360157.db2.gz FXWOSJUTNCRNRX-INIZCTEOSA-N 1 1 372.469 2.221 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192161853 548360163 /nfs/dbraw/zinc/36/01/63/548360163.db2.gz FXWOSJUTNCRNRX-INIZCTEOSA-N 1 1 372.469 2.221 10 30 FEEEMO Cn1c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1C1CC1 ZINC000195047118 548569087 /nfs/dbraw/zinc/56/90/87/548569087.db2.gz AUKWHJYBMSZHRQ-UHFFFAOYSA-N 1 1 350.470 2.272 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000247012316 549264110 /nfs/dbraw/zinc/26/41/10/549264110.db2.gz RKFHLWIFVJHWMB-ROUUACIJSA-N 1 1 357.502 2.431 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000249127512 549557395 /nfs/dbraw/zinc/55/73/95/549557395.db2.gz CNSLONOXIJITCI-IRXDYDNUSA-N 1 1 357.454 2.275 10 30 FEEEMO Cc1ccncc1NC(=O)N1CCC[C@H]([N@H+](C)Cc2nccc(N)n2)CC1 ZINC000328649869 553802711 /nfs/dbraw/zinc/80/27/11/553802711.db2.gz VHNLTSQDICIDEA-HNNXBMFYSA-N 1 1 369.473 2.294 10 30 FEEEMO Cc1ccncc1NC(=O)N1CCC[C@H]([N@@H+](C)Cc2nccc(N)n2)CC1 ZINC000328649869 553802712 /nfs/dbraw/zinc/80/27/12/553802712.db2.gz VHNLTSQDICIDEA-HNNXBMFYSA-N 1 1 369.473 2.294 10 30 FEEEMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000046973251 540281120 /nfs/dbraw/zinc/28/11/20/540281120.db2.gz XMCIYNDYFNFVBE-QFBILLFUSA-N 1 1 356.470 2.343 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000103477963 543111294 /nfs/dbraw/zinc/11/12/94/543111294.db2.gz AOZFMACULSGTMT-HOCLYGCPSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000103477963 543111295 /nfs/dbraw/zinc/11/12/95/543111295.db2.gz AOZFMACULSGTMT-HOCLYGCPSA-N 1 1 352.442 2.376 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC ZINC000106117731 543202243 /nfs/dbraw/zinc/20/22/43/543202243.db2.gz QKEFCXYKZKCHDH-AZUAARDMSA-N 1 1 370.497 2.096 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)n1 ZINC000106203331 543217479 /nfs/dbraw/zinc/21/74/79/543217479.db2.gz CVUWFJVVGBIXEW-INIZCTEOSA-N 1 1 373.482 2.163 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)n1 ZINC000106203331 543217482 /nfs/dbraw/zinc/21/74/82/543217482.db2.gz CVUWFJVVGBIXEW-INIZCTEOSA-N 1 1 373.482 2.163 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134839665 544323682 /nfs/dbraw/zinc/32/36/82/544323682.db2.gz NWXNKRXICZFXTD-CZUORRHYSA-N 1 1 361.417 2.263 10 30 FEEEMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134839665 544323683 /nfs/dbraw/zinc/32/36/83/544323683.db2.gz NWXNKRXICZFXTD-CZUORRHYSA-N 1 1 361.417 2.263 10 30 FEEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000150774286 544469305 /nfs/dbraw/zinc/46/93/05/544469305.db2.gz FFKMVRKGOLKVRG-QAPCUYQASA-N 1 1 372.469 2.153 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1CC ZINC000155236518 545004459 /nfs/dbraw/zinc/00/44/59/545004459.db2.gz RWRMWBKVSZOOMT-CQSZACIVSA-N 1 1 351.397 2.409 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1CC ZINC000155236518 545004461 /nfs/dbraw/zinc/00/44/61/545004461.db2.gz RWRMWBKVSZOOMT-CQSZACIVSA-N 1 1 351.397 2.409 10 30 FEEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000128576582 326526224 /nfs/dbraw/zinc/52/62/24/326526224.db2.gz AXTBVPVSADWAJY-KRWDZBQOSA-N 1 1 358.467 2.484 10 30 FEEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247555893 549356874 /nfs/dbraw/zinc/35/68/74/549356874.db2.gz FNVGGMBIQLZETB-ZWKOTPCHSA-N 1 1 366.469 2.325 10 30 FEEEMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000177976466 546716518 /nfs/dbraw/zinc/71/65/18/546716518.db2.gz SISLTNMVCMWAFG-KRWDZBQOSA-N 1 1 368.437 2.386 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194350184 548469953 /nfs/dbraw/zinc/46/99/53/548469953.db2.gz UMGIWHRPHPPURH-QGZVFWFLSA-N 1 1 372.469 2.221 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194350184 548469958 /nfs/dbraw/zinc/46/99/58/548469958.db2.gz UMGIWHRPHPPURH-QGZVFWFLSA-N 1 1 372.469 2.221 10 30 FEEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000246061250 549043569 /nfs/dbraw/zinc/04/35/69/549043569.db2.gz AJNVUCCGZUCOBZ-RBUKOAKNSA-N 1 1 366.465 2.435 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000246211544 549079584 /nfs/dbraw/zinc/07/95/84/549079584.db2.gz ZJEHVRQRLMLGAR-QZTJIDSGSA-N 1 1 352.438 2.127 10 30 FEEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247777488 549380336 /nfs/dbraw/zinc/38/03/36/549380336.db2.gz RAWFCMVFZQMZGT-MJGOQNOKSA-N 1 1 354.454 2.485 10 30 FEEEMO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)no1 ZINC000363628810 555150134 /nfs/dbraw/zinc/15/01/34/555150134.db2.gz XUIGSNWRLONLJW-MRXNPFEDSA-N 1 1 350.426 2.209 10 30 FEEEMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)no1 ZINC000363628810 555150137 /nfs/dbraw/zinc/15/01/37/555150137.db2.gz XUIGSNWRLONLJW-MRXNPFEDSA-N 1 1 350.426 2.209 10 30 FEEEMO CC(C)n1cc([C@]2(O)CC[N@@H+](CCCOc3cccc(C#N)c3)C2)nn1 ZINC000375343624 558012177 /nfs/dbraw/zinc/01/21/77/558012177.db2.gz XJXXFBPKVZHLHY-IBGZPJMESA-N 1 1 355.442 2.093 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076953 543190962 /nfs/dbraw/zinc/19/09/62/543190962.db2.gz SMGVZYKVUMHOQF-KRWDZBQOSA-N 1 1 364.453 2.278 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079744 543191509 /nfs/dbraw/zinc/19/15/09/543191509.db2.gz SSJDJTBLPKEYMK-GOSISDBHSA-N 1 1 364.453 2.278 10 30 FEEEMO C[N@@H+](CCOc1ccccc1C#N)C1CCN(CCn2cccn2)CC1 ZINC000106128527 543205927 /nfs/dbraw/zinc/20/59/27/543205927.db2.gz JBQJDDGOARQFFP-UHFFFAOYSA-N 1 1 353.470 2.230 10 30 FEEEMO CCn1cc(C[N@H+]2CCCN(Cc3cnc4ccc(C#N)cn34)CC2)cn1 ZINC000121621179 326352642 /nfs/dbraw/zinc/35/26/42/326352642.db2.gz YUNGIQCMTLQEME-UHFFFAOYSA-N 1 1 363.469 2.130 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000177662870 546663166 /nfs/dbraw/zinc/66/31/66/546663166.db2.gz QNAUFLNOYWUEHC-OAHLLOKOSA-N 1 1 365.437 2.428 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294895 546771167 /nfs/dbraw/zinc/77/11/67/546771167.db2.gz GJARQNUOBUHGRN-QGZVFWFLSA-N 1 1 358.467 2.002 10 30 FEEEMO CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000180087905 547050207 /nfs/dbraw/zinc/05/02/07/547050207.db2.gz HIPTTXOSFPNABP-OWCLPIDISA-N 1 1 360.458 2.286 10 30 FEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000180831787 547188833 /nfs/dbraw/zinc/18/88/33/547188833.db2.gz RYDHEPOAHHRROS-AWEZNQCLSA-N 1 1 361.442 2.496 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000184608924 547853700 /nfs/dbraw/zinc/85/37/00/547853700.db2.gz JDMWNAWHBVZBKY-GDBMZVCRSA-N 1 1 358.442 2.284 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000245627470 548960394 /nfs/dbraw/zinc/96/03/94/548960394.db2.gz YXZUQZQRQSGHCK-HOCLYGCPSA-N 1 1 360.458 2.266 10 30 FEEEMO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246329886 549107887 /nfs/dbraw/zinc/10/78/87/549107887.db2.gz ZZEKJXWUJLLIKD-ZDUSSCGKSA-N 1 1 359.373 2.046 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246515457 549150824 /nfs/dbraw/zinc/15/08/24/549150824.db2.gz TVJTYRUZFOAZCF-MAUKXSAKSA-N 1 1 359.470 2.425 10 30 FEEEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC ZINC000247873176 549388682 /nfs/dbraw/zinc/38/86/82/549388682.db2.gz XYKDNNCBICNMFI-MSOLQXFVSA-N 1 1 364.534 2.150 10 30 FEEEMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1N1CCOCC1 ZINC000249123135 549555775 /nfs/dbraw/zinc/55/57/75/549555775.db2.gz XCQGCYFIFDIORX-CXAGYDPISA-N 1 1 364.287 2.473 10 30 FEEEMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1N1CCOCC1 ZINC000249123135 549555777 /nfs/dbraw/zinc/55/57/77/549555777.db2.gz XCQGCYFIFDIORX-CXAGYDPISA-N 1 1 364.287 2.473 10 30 FEEEMO N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)C1=O ZINC000249539813 549602875 /nfs/dbraw/zinc/60/28/75/549602875.db2.gz DPHKIKHEELMEEZ-JYJNAYRXSA-N 1 1 373.503 2.494 10 30 FEEEMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)C1=O ZINC000249539813 549602877 /nfs/dbraw/zinc/60/28/77/549602877.db2.gz DPHKIKHEELMEEZ-JYJNAYRXSA-N 1 1 373.503 2.494 10 30 FEEEMO N#CC1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000311577959 553754766 /nfs/dbraw/zinc/75/47/66/553754766.db2.gz WHUJXOVQHNGGKI-GBESFXJTSA-N 1 1 353.466 2.334 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000328625442 553798175 /nfs/dbraw/zinc/79/81/75/553798175.db2.gz DDNSWCFVEBKJQQ-CQSZACIVSA-N 1 1 371.876 2.470 10 30 FEEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617975 570808543 /nfs/dbraw/zinc/80/85/43/570808543.db2.gz PLZPICWSEKORLX-IBGZPJMESA-N 1 1 355.442 2.223 10 30 FEEEMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617975 570808540 /nfs/dbraw/zinc/80/85/40/570808540.db2.gz PLZPICWSEKORLX-IBGZPJMESA-N 1 1 355.442 2.223 10 30 FEEEMO CC[NH+]=C(NC[C@@H]1CCCN1C)N(C)Cc1cc(Br)cn1C ZINC000261774627 672903103 /nfs/dbraw/zinc/90/31/03/672903103.db2.gz OMZDCDAXWZZSCH-AWEZNQCLSA-N 1 1 370.339 2.279 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@H]1C ZINC000329714568 673082308 /nfs/dbraw/zinc/08/23/08/673082308.db2.gz TVOQDWXRNDKYNC-IIAWOOMASA-N 1 1 354.495 2.087 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@H]1C ZINC000329714568 673082311 /nfs/dbraw/zinc/08/23/11/673082311.db2.gz TVOQDWXRNDKYNC-IIAWOOMASA-N 1 1 354.495 2.087 10 30 FEEEMO Cc1ccc(S(=O)(=O)N=C2NCC(=CC[NH+]3CCCC3)S2)cc1 ZINC000033957159 539976054 /nfs/dbraw/zinc/97/60/54/539976054.db2.gz YJGYKHCWJQLHDG-RIYZIHGNSA-N 1 1 351.497 2.356 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000106111281 543200540 /nfs/dbraw/zinc/20/05/40/543200540.db2.gz WSLVYHVSQAMQTQ-ZFWWWQNUSA-N 1 1 362.474 2.138 10 30 FEEEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108942 543200130 /nfs/dbraw/zinc/20/01/30/543200130.db2.gz SAKSCBCQKZGQMZ-KGLIPLIRSA-N 1 1 364.877 2.191 10 30 FEEEMO COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108942 543200132 /nfs/dbraw/zinc/20/01/32/543200132.db2.gz SAKSCBCQKZGQMZ-KGLIPLIRSA-N 1 1 364.877 2.191 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000106111281 543200538 /nfs/dbraw/zinc/20/05/38/543200538.db2.gz WSLVYHVSQAMQTQ-ZFWWWQNUSA-N 1 1 362.474 2.138 10 30 FEEEMO CC[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000106116290 543202671 /nfs/dbraw/zinc/20/26/71/543202671.db2.gz PHCCKIRIGAZWFV-INIZCTEOSA-N 1 1 364.877 2.193 10 30 FEEEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1CC ZINC000106119504 543203439 /nfs/dbraw/zinc/20/34/39/543203439.db2.gz SJMCPWOMRSTMTH-INIZCTEOSA-N 1 1 364.515 2.381 10 30 FEEEMO C#CCOc1ccccc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121224054 543691030 /nfs/dbraw/zinc/69/10/30/543691030.db2.gz JZXWEIPOORPIMG-UHFFFAOYSA-N 1 1 352.482 2.492 10 30 FEEEMO C#CCOc1ccccc1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121224054 543691031 /nfs/dbraw/zinc/69/10/31/543691031.db2.gz JZXWEIPOORPIMG-UHFFFAOYSA-N 1 1 352.482 2.492 10 30 FEEEMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127792732 544013840 /nfs/dbraw/zinc/01/38/40/544013840.db2.gz IUIFUUQOPQCILM-CYBMUJFWSA-N 1 1 350.488 2.458 10 30 FEEEMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127792732 544013842 /nfs/dbraw/zinc/01/38/42/544013842.db2.gz IUIFUUQOPQCILM-CYBMUJFWSA-N 1 1 350.488 2.458 10 30 FEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C1 ZINC000132207000 544222855 /nfs/dbraw/zinc/22/28/55/544222855.db2.gz NDWLQARUZNNPIH-YJBOKZPZSA-N 1 1 373.476 2.258 10 30 FEEEMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150798917 544473996 /nfs/dbraw/zinc/47/39/96/544473996.db2.gz TVJTYRUZFOAZCF-YJBOKZPZSA-N 1 1 359.470 2.425 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000128563885 326525959 /nfs/dbraw/zinc/52/59/59/326525959.db2.gz AAVQNJCJMVSSRP-CQSZACIVSA-N 1 1 362.430 2.482 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000157731600 326873373 /nfs/dbraw/zinc/87/33/73/326873373.db2.gz IKDJNEOUNXSELK-OAHLLOKOSA-N 1 1 362.430 2.482 10 30 FEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000174969443 327364607 /nfs/dbraw/zinc/36/46/07/327364607.db2.gz YEPCCGYDBWYOMN-FUHWJXTLSA-N 1 1 364.453 2.025 10 30 FEEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097835 518311455 /nfs/dbraw/zinc/31/14/55/518311455.db2.gz ZUQBJEVOFJMSQA-QGZVFWFLSA-N 1 1 357.406 2.330 10 30 FEEEMO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097835 518311462 /nfs/dbraw/zinc/31/14/62/518311462.db2.gz ZUQBJEVOFJMSQA-QGZVFWFLSA-N 1 1 357.406 2.330 10 30 FEEEMO C=CCC[C@@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788108 518711375 /nfs/dbraw/zinc/71/13/75/518711375.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 1 1 370.501 2.322 10 30 FEEEMO C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788108 518711380 /nfs/dbraw/zinc/71/13/80/518711380.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 1 1 370.501 2.322 10 30 FEEEMO C=CCC[C@@H](CN1CCC[N@H+](C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788108 518711387 /nfs/dbraw/zinc/71/13/87/518711387.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 1 1 370.501 2.322 10 30 FEEEMO C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788110 518721779 /nfs/dbraw/zinc/72/17/79/518721779.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 1 1 370.501 2.322 10 30 FEEEMO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788110 518721783 /nfs/dbraw/zinc/72/17/83/518721783.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 1 1 370.501 2.322 10 30 FEEEMO C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788110 518721792 /nfs/dbraw/zinc/72/17/92/518721792.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 1 1 370.501 2.322 10 30 FEEEMO N#Cc1cc(F)ccc1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000177898519 546704347 /nfs/dbraw/zinc/70/43/47/546704347.db2.gz MXQJXJBSVQUOBB-SFHVURJKSA-N 1 1 368.412 2.238 10 30 FEEEMO C#CCCOc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000179212764 546915208 /nfs/dbraw/zinc/91/52/08/546915208.db2.gz NNYZDNPDSDZMFS-UHFFFAOYSA-N 1 1 354.454 2.488 10 30 FEEEMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000180899363 547205652 /nfs/dbraw/zinc/20/56/52/547205652.db2.gz KUZRTGMGMOJGRY-INIZCTEOSA-N 1 1 364.449 2.442 10 30 FEEEMO CCCCOC[C@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000195185092 548592473 /nfs/dbraw/zinc/59/24/73/548592473.db2.gz PXWOATOQPWYSDP-OAHLLOKOSA-N 1 1 374.441 2.106 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000195279521 548611334 /nfs/dbraw/zinc/61/13/34/548611334.db2.gz HZSGWYDQYCPDFU-IBGZPJMESA-N 1 1 363.465 2.346 10 30 FEEEMO C[NH+](C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccc(F)c1 ZINC000095385571 132210019 /nfs/dbraw/zinc/21/00/19/132210019.db2.gz GOXVPFGVQQMVLS-IBGZPJMESA-N 1 1 367.428 2.044 10 30 FEEEMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Nc4cccnn4)CC3)C2=O)cc1 ZINC000106081302 543192555 /nfs/dbraw/zinc/19/25/55/543192555.db2.gz XAZCXURMYQBYBM-SFHVURJKSA-N 1 1 362.437 2.030 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)n1 ZINC000106201107 543217564 /nfs/dbraw/zinc/21/75/64/543217564.db2.gz YUTZHIPGPZMCJJ-SFHVURJKSA-N 1 1 367.453 2.101 10 30 FEEEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)n1 ZINC000106201107 543217567 /nfs/dbraw/zinc/21/75/67/543217567.db2.gz YUTZHIPGPZMCJJ-SFHVURJKSA-N 1 1 367.453 2.101 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1CC ZINC000116766955 543615352 /nfs/dbraw/zinc/61/53/52/543615352.db2.gz KWIDDOCHBTWQFY-GOSISDBHSA-N 1 1 359.470 2.091 10 30 FEEEMO COc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071501 543688796 /nfs/dbraw/zinc/68/87/96/543688796.db2.gz KQBVDKAPGJGIGE-SFHVURJKSA-N 1 1 359.470 2.284 10 30 FEEEMO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000189290659 328139280 /nfs/dbraw/zinc/13/92/80/328139280.db2.gz UENFVJSLFOJGKL-GFCCVEGCSA-N 1 1 360.483 2.038 10 30 FEEEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000189290659 328139282 /nfs/dbraw/zinc/13/92/82/328139282.db2.gz UENFVJSLFOJGKL-GFCCVEGCSA-N 1 1 360.483 2.038 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000192935749 328347726 /nfs/dbraw/zinc/34/77/26/328347726.db2.gz IDQXPEGTWUFJSG-KRWDZBQOSA-N 1 1 370.478 2.096 10 30 FEEEMO CCCCOC[C@@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000195185104 328460503 /nfs/dbraw/zinc/46/05/03/328460503.db2.gz PXWOATOQPWYSDP-HNNXBMFYSA-N 1 1 374.441 2.106 10 30 FEEEMO Cn1cc(CN2CCC[N@@H+](CCCOc3ccc(C#N)cc3)CC2)cn1 ZINC000170943675 327108990 /nfs/dbraw/zinc/10/89/90/327108990.db2.gz RAJQVCVCWZLHOO-UHFFFAOYSA-N 1 1 353.470 2.269 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177800137 546689386 /nfs/dbraw/zinc/68/93/86/546689386.db2.gz HWIWDKFJIRVFMH-RHSMWYFYSA-N 1 1 358.442 2.141 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000177982720 546717505 /nfs/dbraw/zinc/71/75/05/546717505.db2.gz OKOREMKMEUERQP-OAHLLOKOSA-N 1 1 351.410 2.001 10 30 FEEEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000181201217 547269404 /nfs/dbraw/zinc/26/94/04/547269404.db2.gz FNUGIMLWJRMVJK-ZDUSSCGKSA-N 1 1 368.384 2.080 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000185658524 548016082 /nfs/dbraw/zinc/01/60/82/548016082.db2.gz RAUAZIUMDDAWJB-OAHLLOKOSA-N 1 1 374.466 2.352 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246762113 549206987 /nfs/dbraw/zinc/20/69/87/549206987.db2.gz QTIRAXRWEJIXQM-QINHECLXSA-N 1 1 374.387 2.384 10 30 FEEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246762113 549206991 /nfs/dbraw/zinc/20/69/91/549206991.db2.gz QTIRAXRWEJIXQM-QINHECLXSA-N 1 1 374.387 2.384 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000247028345 549269262 /nfs/dbraw/zinc/26/92/62/549269262.db2.gz POBQXPXTHGWVBX-AZUAARDMSA-N 1 1 370.497 2.037 10 30 FEEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000247028345 549269265 /nfs/dbraw/zinc/26/92/65/549269265.db2.gz POBQXPXTHGWVBX-AZUAARDMSA-N 1 1 370.497 2.037 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109360 549553897 /nfs/dbraw/zinc/55/38/97/549553897.db2.gz AKTFYSFESOYKRP-BZUAXINKSA-N 1 1 370.453 2.001 10 30 FEEEMO Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284690462 551609102 /nfs/dbraw/zinc/60/91/02/551609102.db2.gz XPLJDTFXOKTZQU-KBXCAEBGSA-N 1 1 355.442 2.348 10 30 FEEEMO CC(C)n1cc([C@]2(O)CCC[N@@H+](CCOc3ccccc3C#N)C2)nn1 ZINC000284758145 551626033 /nfs/dbraw/zinc/62/60/33/551626033.db2.gz YCSWMRAASRWXDY-IBGZPJMESA-N 1 1 355.442 2.093 10 30 FEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000103476596 543110622 /nfs/dbraw/zinc/11/06/22/543110622.db2.gz LDTVAALNSITMCV-MRXNPFEDSA-N 1 1 352.442 2.378 10 30 FEEEMO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461837 543707202 /nfs/dbraw/zinc/70/72/02/543707202.db2.gz YGHMIXFCYKJIOI-HXUWFJFHSA-N 1 1 353.470 2.442 10 30 FEEEMO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461837 543707205 /nfs/dbraw/zinc/70/72/05/543707205.db2.gz YGHMIXFCYKJIOI-HXUWFJFHSA-N 1 1 353.470 2.442 10 30 FEEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192275544 328310258 /nfs/dbraw/zinc/31/02/58/328310258.db2.gz DKMHJTROMXELFI-MRXNPFEDSA-N 1 1 360.458 2.155 10 30 FEEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000192275544 328310259 /nfs/dbraw/zinc/31/02/59/328310259.db2.gz DKMHJTROMXELFI-MRXNPFEDSA-N 1 1 360.458 2.155 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000171653802 327152029 /nfs/dbraw/zinc/15/20/29/327152029.db2.gz GGFBEKPYTJFDIA-FUHWJXTLSA-N 1 1 365.437 2.310 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000171653802 327152032 /nfs/dbraw/zinc/15/20/32/327152032.db2.gz GGFBEKPYTJFDIA-FUHWJXTLSA-N 1 1 365.437 2.310 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000177977772 327556555 /nfs/dbraw/zinc/55/65/55/327556555.db2.gz SIGHJGOZJYTARR-MRXNPFEDSA-N 1 1 351.410 2.001 10 30 FEEEMO Cc1[nH+]ccn1C[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826529 545666557 /nfs/dbraw/zinc/66/65/57/545666557.db2.gz PEBFIYPPEVBKQF-QGZVFWFLSA-N 1 1 358.467 2.002 10 30 FEEEMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160135900 546011689 /nfs/dbraw/zinc/01/16/89/546011689.db2.gz CGRBQMJVBSIBRI-INIZCTEOSA-N 1 1 368.460 2.130 10 30 FEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887622 546501118 /nfs/dbraw/zinc/50/11/18/546501118.db2.gz FQBARAKPVNHAOG-MRXNPFEDSA-N 1 1 372.469 2.227 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000179431931 546952625 /nfs/dbraw/zinc/95/26/25/546952625.db2.gz VSLDRTWMNNXXIJ-LXPRWKDFSA-N 1 1 371.485 2.427 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000181183561 547266279 /nfs/dbraw/zinc/26/62/79/547266279.db2.gz YXZUQZQRQSGHCK-ZBFHGGJFSA-N 1 1 360.458 2.266 10 30 FEEEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612100 /nfs/dbraw/zinc/61/21/00/548612100.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 1 1 350.466 2.441 10 30 FEEEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612104 /nfs/dbraw/zinc/61/21/04/548612104.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 1 1 350.466 2.441 10 30 FEEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612109 /nfs/dbraw/zinc/61/21/09/548612109.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 1 1 350.466 2.441 10 30 FEEEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000247873041 549388819 /nfs/dbraw/zinc/38/88/19/549388819.db2.gz XWYUPDRSBNIIGU-MOPGFXCFSA-N 1 1 372.513 2.364 10 30 FEEEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000247873041 549388822 /nfs/dbraw/zinc/38/88/22/549388822.db2.gz XWYUPDRSBNIIGU-MOPGFXCFSA-N 1 1 372.513 2.364 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000248450663 549439427 /nfs/dbraw/zinc/43/94/27/549439427.db2.gz JDMWNAWHBVZBKY-HOCLYGCPSA-N 1 1 358.442 2.284 10 30 FEEEMO CC[NH+]=C(NC[C@H]1CCCN1C)N(C)Cc1cc(Br)cn1C ZINC000261774628 672903037 /nfs/dbraw/zinc/90/30/37/672903037.db2.gz OMZDCDAXWZZSCH-CQSZACIVSA-N 1 1 370.339 2.279 10 30 FEEEMO CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CC[N@@H+](C[C@@H]3O[C@@H]31)[C@H]42 ZINC000056871355 221081945 /nfs/dbraw/zinc/08/19/45/221081945.db2.gz AUVZFRDLRJQTQF-KXEYLTKFSA-N 1 1 352.434 2.432 10 30 in-vitro FEEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081458 543192284 /nfs/dbraw/zinc/19/22/84/543192284.db2.gz JUZJRBRIHCGGAH-HNNXBMFYSA-N 1 1 356.474 2.084 10 30 FEEEMO N#Cc1ccccc1OCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106095908 543194776 /nfs/dbraw/zinc/19/47/76/543194776.db2.gz RUORFIGDQQHOKT-HXUWFJFHSA-N 1 1 351.450 2.288 10 30 FEEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000106218720 543219714 /nfs/dbraw/zinc/21/97/14/543219714.db2.gz HSVMMIRXIIHGPU-HNNXBMFYSA-N 1 1 358.833 2.469 10 30 FEEEMO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000127447194 543993471 /nfs/dbraw/zinc/99/34/71/543993471.db2.gz HXUXTQZTPHEPGC-HXUWFJFHSA-N 1 1 367.497 2.361 10 30 FEEEMO COc1ccc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316259 /nfs/dbraw/zinc/31/62/59/327316259.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 1 1 351.450 2.076 10 30 FEEEMO COc1ccc(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316260 /nfs/dbraw/zinc/31/62/60/327316260.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 1 1 351.450 2.076 10 30 FEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000177982727 327556776 /nfs/dbraw/zinc/55/67/76/327556776.db2.gz OKOREMKMEUERQP-HNNXBMFYSA-N 1 1 351.410 2.001 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157749916 545779121 /nfs/dbraw/zinc/77/91/21/545779121.db2.gz IKDBSUNAAPTCIX-INIZCTEOSA-N 1 1 355.442 2.437 10 30 FEEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047418 548427621 /nfs/dbraw/zinc/42/76/21/548427621.db2.gz YQNVQZRQPOJCCQ-AWEZNQCLSA-N 1 1 355.467 2.312 10 30 FEEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000245627466 548960898 /nfs/dbraw/zinc/96/08/98/548960898.db2.gz YXZUQZQRQSGHCK-GOEBONIOSA-N 1 1 360.458 2.266 10 30 FEEEMO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000328630301 553799302 /nfs/dbraw/zinc/79/93/02/553799302.db2.gz JEXDBZGTHBEEKJ-CQSZACIVSA-N 1 1 354.433 2.560 10 30 FEEEMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076951 543190826 /nfs/dbraw/zinc/19/08/26/543190826.db2.gz SMGVZYKVUMHOQF-QGZVFWFLSA-N 1 1 364.453 2.278 10 30 FEEEMO COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000106109918 543199603 /nfs/dbraw/zinc/19/96/03/543199603.db2.gz JDELENUQEKRQLR-LJQANCHMSA-N 1 1 372.513 2.203 10 30 FEEEMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000106109918 543199606 /nfs/dbraw/zinc/19/96/06/543199606.db2.gz JDELENUQEKRQLR-LJQANCHMSA-N 1 1 372.513 2.203 10 30 FEEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106172905 543211853 /nfs/dbraw/zinc/21/18/53/543211853.db2.gz ZVDCZJVLMKZZHZ-NRGCRIOASA-N 1 1 372.517 2.309 10 30 FEEEMO N#Cc1cc(F)ccc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000106204307 543218818 /nfs/dbraw/zinc/21/88/18/543218818.db2.gz BEHPADFXPWAWLU-HXUWFJFHSA-N 1 1 369.440 2.255 10 30 FEEEMO COCC[N@@H+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1C ZINC000117287053 543627635 /nfs/dbraw/zinc/62/76/35/543627635.db2.gz QWNDDDANRMHEOC-QFBILLFUSA-N 1 1 359.470 2.141 10 30 FEEEMO COCC[N@H+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1C ZINC000117287053 543627637 /nfs/dbraw/zinc/62/76/37/543627637.db2.gz QWNDDDANRMHEOC-QFBILLFUSA-N 1 1 359.470 2.141 10 30 FEEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000136813936 544379652 /nfs/dbraw/zinc/37/96/52/544379652.db2.gz BKHPPZZYPWAOEI-UHFFFAOYSA-N 1 1 356.405 2.171 10 30 FEEEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000136813936 544379655 /nfs/dbraw/zinc/37/96/55/544379655.db2.gz BKHPPZZYPWAOEI-UHFFFAOYSA-N 1 1 356.405 2.171 10 30 FEEEMO C=C(C)COCCNC(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1 ZINC000151550893 544555848 /nfs/dbraw/zinc/55/58/48/544555848.db2.gz ZJULMXNNEGMPMQ-UHFFFAOYSA-N 1 1 363.506 2.103 10 30 FEEEMO C=C(C)COCCNC(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1 ZINC000151550893 544555851 /nfs/dbraw/zinc/55/58/51/544555851.db2.gz ZJULMXNNEGMPMQ-UHFFFAOYSA-N 1 1 363.506 2.103 10 30 FEEEMO CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000152493012 544660460 /nfs/dbraw/zinc/66/04/60/544660460.db2.gz NGJIBGRXQKFNNL-QGZVFWFLSA-N 1 1 359.470 2.285 10 30 FEEEMO CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000152493012 544660462 /nfs/dbraw/zinc/66/04/62/544660462.db2.gz NGJIBGRXQKFNNL-QGZVFWFLSA-N 1 1 359.470 2.285 10 30 FEEEMO CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000152493105 544661017 /nfs/dbraw/zinc/66/10/17/544661017.db2.gz NGJIBGRXQKFNNL-KRWDZBQOSA-N 1 1 359.470 2.285 10 30 FEEEMO CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000152493105 544661021 /nfs/dbraw/zinc/66/10/21/544661021.db2.gz NGJIBGRXQKFNNL-KRWDZBQOSA-N 1 1 359.470 2.285 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119399647 326158043 /nfs/dbraw/zinc/15/80/43/326158043.db2.gz PUVJRUOSNMFADU-OAHLLOKOSA-N 1 1 362.861 2.387 10 30 FEEEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164976 327121706 /nfs/dbraw/zinc/12/17/06/327121706.db2.gz NHJKUMKJQCEHLT-INIZCTEOSA-N 1 1 359.449 2.013 10 30 FEEEMO O[C@@H](COc1ccccc1)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159997218 545998187 /nfs/dbraw/zinc/99/81/87/545998187.db2.gz SNSWZZXNOIFRRV-OAQYLSRUSA-N 1 1 368.452 2.235 10 30 FEEEMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1OC ZINC000174642396 546301313 /nfs/dbraw/zinc/30/13/13/546301313.db2.gz XHWQEDOOXDFMJJ-WBVHZDCISA-N 1 1 362.470 2.177 10 30 FEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887645 546500639 /nfs/dbraw/zinc/50/06/39/546500639.db2.gz FQBARAKPVNHAOG-INIZCTEOSA-N 1 1 372.469 2.227 10 30 FEEEMO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178541025 546809318 /nfs/dbraw/zinc/80/93/18/546809318.db2.gz ZZEKJXWUJLLIKD-CYBMUJFWSA-N 1 1 359.373 2.046 10 30 FEEEMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000184608795 547853347 /nfs/dbraw/zinc/85/33/47/547853347.db2.gz AZIUDPYPRFLFHU-PBHICJAKSA-N 1 1 360.458 2.434 10 30 FEEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000246095644 549051410 /nfs/dbraw/zinc/05/14/10/549051410.db2.gz HAKBXXHAAQTQSG-MJGOQNOKSA-N 1 1 361.449 2.493 10 30 FEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000247069151 549276731 /nfs/dbraw/zinc/27/67/31/549276731.db2.gz YEPCCGYDBWYOMN-AEFFLSMTSA-N 1 1 364.453 2.025 10 30 FEEEMO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248621699 549469209 /nfs/dbraw/zinc/46/92/09/549469209.db2.gz CXJSBOZVAOYFNS-HOTGVXAUSA-N 1 1 362.470 2.177 10 30 FEEEMO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CCOC)[C@H](CC)C2)c1=S ZINC000117323795 670914609 /nfs/dbraw/zinc/91/46/09/670914609.db2.gz PLVQCULXSPJKQZ-MRXNPFEDSA-N 1 1 365.547 2.478 10 30 FEEEMO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000052593371 540476342 /nfs/dbraw/zinc/47/63/42/540476342.db2.gz FYQMCGGGZFMYHX-HXUWFJFHSA-N 1 1 369.513 2.260 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000052593371 540476347 /nfs/dbraw/zinc/47/63/47/540476347.db2.gz FYQMCGGGZFMYHX-HXUWFJFHSA-N 1 1 369.513 2.260 10 30 FEEEMO CN(C)c1ccc(C=NNC(=N)N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000059369509 221125589 /nfs/dbraw/zinc/12/55/89/221125589.db2.gz DBTHUYFRHDODRL-JZTLMNBPSA-N 1 1 351.458 2.301 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000103476406 543110259 /nfs/dbraw/zinc/11/02/59/543110259.db2.gz PGWHBJSVYZMNQC-INIZCTEOSA-N 1 1 352.442 2.378 10 30 FEEEMO Cc1noc([C@H](C)N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000106135400 543206241 /nfs/dbraw/zinc/20/62/41/543206241.db2.gz AZFCOMNXSKFKBK-LBPRGKRZSA-N 1 1 374.470 2.019 10 30 FEEEMO Cc1nn(C)c(C)c1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000106144019 543207561 /nfs/dbraw/zinc/20/75/61/543207561.db2.gz ZEXJECNJNSMWHB-UHFFFAOYSA-N 1 1 353.470 2.105 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1CC ZINC000116766957 543614892 /nfs/dbraw/zinc/61/48/92/543614892.db2.gz KWIDDOCHBTWQFY-SFHVURJKSA-N 1 1 359.470 2.091 10 30 FEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193215798 328363065 /nfs/dbraw/zinc/36/30/65/328363065.db2.gz RJFRTIFMLBUGGT-MRXNPFEDSA-N 1 1 373.501 2.290 10 30 FEEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](n3cncn3)C1)CCC2 ZINC000171701998 327156039 /nfs/dbraw/zinc/15/60/39/327156039.db2.gz ZNZINQJWFLIVPF-ZDUSSCGKSA-N 1 1 370.482 2.366 10 30 FEEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000177659889 327536166 /nfs/dbraw/zinc/53/61/66/327536166.db2.gz YQAMTSDHRUJJPL-OAHLLOKOSA-N 1 1 369.400 2.258 10 30 FEEEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1CC ZINC000247550191 549354821 /nfs/dbraw/zinc/35/48/21/549354821.db2.gz SGMARQGBQRLLIY-WMZOPIPTSA-N 1 1 359.470 2.285 10 30 FEEEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1CC ZINC000247550191 549354824 /nfs/dbraw/zinc/35/48/24/549354824.db2.gz SGMARQGBQRLLIY-WMZOPIPTSA-N 1 1 359.470 2.285 10 30 FEEEMO C=CCNc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000040598538 534865849 /nfs/dbraw/zinc/86/58/49/534865849.db2.gz OAKJYKILMJHQBO-UHFFFAOYSA-N 1 1 354.414 2.305 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000171408619 546208397 /nfs/dbraw/zinc/20/83/97/546208397.db2.gz ZQRJMZDPXSUDGU-INIZCTEOSA-N 1 1 359.474 2.317 10 30 FEEEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000171408619 546208403 /nfs/dbraw/zinc/20/84/03/546208403.db2.gz ZQRJMZDPXSUDGU-INIZCTEOSA-N 1 1 359.474 2.317 10 30 FEEEMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1C ZINC000171526377 546213246 /nfs/dbraw/zinc/21/32/46/546213246.db2.gz YKSYEVVDAMCGQB-GOSISDBHSA-N 1 1 366.469 2.479 10 30 FEEEMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c1C ZINC000171526377 546213251 /nfs/dbraw/zinc/21/32/51/546213251.db2.gz YKSYEVVDAMCGQB-GOSISDBHSA-N 1 1 366.469 2.479 10 30 FEEEMO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000177386900 546607025 /nfs/dbraw/zinc/60/70/25/546607025.db2.gz VFCPHDYXZMHCKI-KRWDZBQOSA-N 1 1 370.453 2.004 10 30 FEEEMO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000177386900 546607031 /nfs/dbraw/zinc/60/70/31/546607031.db2.gz VFCPHDYXZMHCKI-KRWDZBQOSA-N 1 1 370.453 2.004 10 30 FEEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cn1 ZINC000180282096 547078725 /nfs/dbraw/zinc/07/87/25/547078725.db2.gz VATCCISKYNNDDJ-UHFFFAOYSA-N 1 1 363.465 2.323 10 30 FEEEMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cn1 ZINC000180282096 547078730 /nfs/dbraw/zinc/07/87/30/547078730.db2.gz VATCCISKYNNDDJ-UHFFFAOYSA-N 1 1 363.465 2.323 10 30 FEEEMO Cn1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183257833 547627759 /nfs/dbraw/zinc/62/77/59/547627759.db2.gz RWDLJCQNOMVUIR-KRWDZBQOSA-N 1 1 361.453 2.462 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000192216065 548361084 /nfs/dbraw/zinc/36/10/84/548361084.db2.gz WHMHELNZOIRBIH-UHFFFAOYSA-N 1 1 360.520 2.020 10 30 FEEEMO C=CCCS(=O)(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000192216065 548361099 /nfs/dbraw/zinc/36/10/99/548361099.db2.gz WHMHELNZOIRBIH-UHFFFAOYSA-N 1 1 360.520 2.020 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000246064120 549044101 /nfs/dbraw/zinc/04/41/01/549044101.db2.gz AOZFMACULSGTMT-ZBFHGGJFSA-N 1 1 352.442 2.376 10 30 FEEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000246064120 549044105 /nfs/dbraw/zinc/04/41/05/549044105.db2.gz AOZFMACULSGTMT-ZBFHGGJFSA-N 1 1 352.442 2.376 10 30 FEEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247091735 549281834 /nfs/dbraw/zinc/28/18/34/549281834.db2.gz JCWBTCQKTVIEOL-HUUCEWRRSA-N 1 1 374.510 2.477 10 30 FEEEMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617976 570808398 /nfs/dbraw/zinc/80/83/98/570808398.db2.gz PLZPICWSEKORLX-LJQANCHMSA-N 1 1 355.442 2.223 10 30 FEEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617976 570808400 /nfs/dbraw/zinc/80/84/00/570808400.db2.gz PLZPICWSEKORLX-LJQANCHMSA-N 1 1 355.442 2.223 10 30 FEEEMO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CCCN1C ZINC000262039202 672908519 /nfs/dbraw/zinc/90/85/19/672908519.db2.gz YAOPPQXFONSAPK-CABCVRRESA-N 1 1 359.301 2.286 10 30 FEEEMO