smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)c(Br)c1 ZINC000015454169 717111653 /nfs/dbraw/zinc/11/16/53/717111653.db2.gz QJMRUKGFEULWDE-ZDUSSCGKSA-O 1 0 353.284 2.231 10 30 FEEERO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150786371 544471824 /nfs/dbraw/zinc/47/18/24/544471824.db2.gz WLPQWPCMYWPMHI-YOEHRIQHSA-N 1 0 372.469 2.129 10 30 FEEERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000191980741 328291605 /nfs/dbraw/zinc/29/16/05/328291605.db2.gz VYUMCVHTQIFQIV-IBGZPJMESA-N 1 0 373.497 2.330 10 30 FEEERO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475161 328321123 /nfs/dbraw/zinc/32/11/23/328321123.db2.gz STZPGQSBNSMOTB-YOEHRIQHSA-N 1 0 354.406 2.420 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938482 328347639 /nfs/dbraw/zinc/34/76/39/328347639.db2.gz ZOGWWUCHKPHQGE-GOSISDBHSA-N 1 0 370.478 2.096 10 30 FEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000173927817 546288372 /nfs/dbraw/zinc/28/83/72/546288372.db2.gz GAOFUEIYNDMWDH-ZWKOTPCHSA-N 1 0 360.506 2.323 10 30 FEEERO CCOCCN1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182751732 547546281 /nfs/dbraw/zinc/54/62/81/547546281.db2.gz APVWAKUKFWKAPS-FXAWDEMLSA-N 1 0 370.497 2.096 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195056195 548570069 /nfs/dbraw/zinc/57/00/69/548570069.db2.gz NOJCDFNMEATPDZ-KRWDZBQOSA-N 1 0 357.454 2.423 10 30 FEEERO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246515451 549150996 /nfs/dbraw/zinc/15/09/96/549150996.db2.gz TVJTYRUZFOAZCF-CRAIPNDOSA-N 1 0 359.470 2.425 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109362 549553619 /nfs/dbraw/zinc/55/36/19/549553619.db2.gz AKTFYSFESOYKRP-OAGGEKHMSA-N 1 0 370.453 2.001 10 30 FEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261669869 672901317 /nfs/dbraw/zinc/90/13/17/672901317.db2.gz GSWCKUNZVSIDRO-YPMHNXCESA-N 1 0 364.799 2.007 10 30 FEEERO C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262432429 672915519 /nfs/dbraw/zinc/91/55/19/672915519.db2.gz FKLBPOSYRCHPLY-WMLDXEAASA-N 1 0 360.531 2.149 10 30 FEEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262454165 672916638 /nfs/dbraw/zinc/91/66/38/672916638.db2.gz KOZYGGUQUJIHRR-DLBZAZTESA-N 1 0 362.543 2.007 10 30 FEEERO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)c1cccc(Cl)c1 ZINC000262793318 672920973 /nfs/dbraw/zinc/92/09/73/672920973.db2.gz OXXXBUALYHQSDS-HNNXBMFYSA-N 1 0 361.829 2.467 10 30 FEEERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000029229238 717117910 /nfs/dbraw/zinc/11/79/10/717117910.db2.gz GYDHOLCVEBKNEQ-CYBMUJFWSA-O 1 0 366.507 2.015 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000112550675 543451363 /nfs/dbraw/zinc/45/13/63/543451363.db2.gz AENHURADHGUKKK-HUUCEWRRSA-N 1 0 373.526 2.410 10 30 FEEERO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000150798893 544473448 /nfs/dbraw/zinc/47/34/48/544473448.db2.gz TVJTYRUZFOAZCF-QAPCUYQASA-N 1 0 359.470 2.425 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062741 326123085 /nfs/dbraw/zinc/12/30/85/326123085.db2.gz OCGJAPNTJGDRKU-KRWDZBQOSA-N 1 0 372.469 2.227 10 30 FEEERO CC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000174600353 327337429 /nfs/dbraw/zinc/33/74/29/327337429.db2.gz KOLIBDCFUGIZSQ-CRAIPNDOSA-N 1 0 361.511 2.095 10 30 FEEERO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000163287127 546143690 /nfs/dbraw/zinc/14/36/90/546143690.db2.gz WWPGVZZYPJFAQU-CQSZACIVSA-N 1 0 363.483 2.083 10 30 FEEERO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000172271889 546244150 /nfs/dbraw/zinc/24/41/50/546244150.db2.gz NESMFBXRULMOPJ-IAGOWNOFSA-N 1 0 372.469 2.366 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2C)CC1 ZINC000173818428 546287244 /nfs/dbraw/zinc/28/72/44/546287244.db2.gz PSUCLIUAYBFILL-IBGZPJMESA-N 1 0 356.466 2.451 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790118 546488411 /nfs/dbraw/zinc/48/84/11/546488411.db2.gz XQSYOKCZBOTHDR-UONOGXRCSA-N 1 0 370.482 2.045 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC ZINC000177055050 546533176 /nfs/dbraw/zinc/53/31/76/546533176.db2.gz JWXMWCZIGJBBFK-OALUTQOASA-N 1 0 359.470 2.205 10 30 FEEERO CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000177132074 546551310 /nfs/dbraw/zinc/55/13/10/546551310.db2.gz GSKDIQSHOFYSNM-HNNXBMFYSA-N 1 0 364.515 2.218 10 30 FEEERO C#CCCOc1ccc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317228 546592856 /nfs/dbraw/zinc/59/28/56/546592856.db2.gz WJKGQWYIFUKUJS-UXHICEINSA-N 1 0 370.405 2.181 10 30 FEEERO C=C(C)CS(=O)(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189702174 548308115 /nfs/dbraw/zinc/30/81/15/548308115.db2.gz LXLPHGYCBHOQDZ-IBGZPJMESA-N 1 0 366.527 2.270 10 30 FEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000246315431 549103535 /nfs/dbraw/zinc/10/35/35/549103535.db2.gz FFKMVRKGOLKVRG-CRAIPNDOSA-N 1 0 372.469 2.153 10 30 FEEERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000246721092 549195659 /nfs/dbraw/zinc/19/56/59/549195659.db2.gz LKDUAFQEENATBF-SJORKVTESA-N 1 0 359.470 2.021 10 30 FEEERO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284811905 551639703 /nfs/dbraw/zinc/63/97/03/551639703.db2.gz IWMLSQZUTXHSJF-KBXCAEBGSA-N 1 0 351.458 2.418 10 30 FEEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CCCn2nc(C)nc21 ZINC000132160610 672095200 /nfs/dbraw/zinc/09/52/00/672095200.db2.gz IPBAMCYYAIJYNV-AWEZNQCLSA-N 1 0 361.519 2.293 10 30 FEEERO C=CCn1c(C)nn(CN2CC[N@@H+](CCOCC)[C@H](CC)C2)c1=S ZINC000152606530 672184855 /nfs/dbraw/zinc/18/48/55/672184855.db2.gz KWRAVIJXGGTJLG-MRXNPFEDSA-N 1 0 353.536 2.299 10 30 FEEERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)N(C)CCC#N ZINC000247430189 672850034 /nfs/dbraw/zinc/85/00/34/672850034.db2.gz LVLCCELFXQWNGU-KKUMJFAQSA-N 1 0 352.479 2.030 10 30 FEEERO C[C@H](C(=O)N[C@@H](C)c1ccc(Br)cc1)[N+]12CCN(CC1)CC2 ZINC000029226166 717117526 /nfs/dbraw/zinc/11/75/26/717117526.db2.gz MJRVZZXPGJBVOS-UONOGXRCSA-O 1 0 367.311 2.161 10 30 FEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)N1CCOCC1 ZINC000249704252 717165127 /nfs/dbraw/zinc/16/51/27/717165127.db2.gz LLESHQZYRSZBAK-QFIPXVFZSA-N 1 0 360.434 2.113 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117951 543202848 /nfs/dbraw/zinc/20/28/48/543202848.db2.gz DSXKPPVMNHENKF-FUHWJXTLSA-N 1 0 358.486 2.318 10 30 FEEERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606469 543297391 /nfs/dbraw/zinc/29/73/91/543297391.db2.gz HDVZMITZWVABML-AWEZNQCLSA-N 1 0 362.499 2.477 10 30 FEEERO C[NH+](C)C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000108951996 543309140 /nfs/dbraw/zinc/30/91/40/543309140.db2.gz DSUAHCLSNCTWTK-CQSZACIVSA-N 1 0 362.380 2.475 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000112550671 543451548 /nfs/dbraw/zinc/45/15/48/543451548.db2.gz AENHURADHGUKKK-LSDHHAIUSA-N 1 0 373.526 2.410 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)nc1 ZINC000114413991 543514655 /nfs/dbraw/zinc/51/46/55/543514655.db2.gz IVZIQRPWPSYTOK-UHFFFAOYSA-N 1 0 355.486 2.266 10 30 FEEERO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000150786350 544471861 /nfs/dbraw/zinc/47/18/61/544471861.db2.gz WLPQWPCMYWPMHI-PBHICJAKSA-N 1 0 372.469 2.129 10 30 FEEERO CC(C)Oc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C#N ZINC000157751283 326874011 /nfs/dbraw/zinc/87/40/11/326874011.db2.gz HRKOENPNKMQJAL-KRWDZBQOSA-N 1 0 360.458 2.314 10 30 FEEERO N#Cc1c[nH]c(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000176516673 327460700 /nfs/dbraw/zinc/46/07/00/327460700.db2.gz UEAHCHJDYCMRQW-IBGZPJMESA-N 1 0 352.438 2.062 10 30 FEEERO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247555884 549356893 /nfs/dbraw/zinc/35/68/93/549356893.db2.gz FNVGGMBIQLZETB-QZTJIDSGSA-N 1 0 366.469 2.325 10 30 FEEERO C[NH+](C)C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000171134813 546191613 /nfs/dbraw/zinc/19/16/13/546191613.db2.gz AVZZDDDLZWEUPM-LJQANCHMSA-N 1 0 374.448 2.359 10 30 FEEERO C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC000177756549 546681049 /nfs/dbraw/zinc/68/10/49/546681049.db2.gz CJVMXNSMJKWMQX-MOPGFXCFSA-N 1 0 360.498 2.334 10 30 FEEERO CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246045175 549040827 /nfs/dbraw/zinc/04/08/27/549040827.db2.gz XNYHMSDSCQMUBW-JXFKEZNVSA-N 1 0 367.497 2.236 10 30 FEEERO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247146876 549290799 /nfs/dbraw/zinc/29/07/99/549290799.db2.gz TYWXXEIKUDUYCT-GJZGRUSLSA-N 1 0 372.494 2.183 10 30 FEEERO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000247153693 549291698 /nfs/dbraw/zinc/29/16/98/549291698.db2.gz KDIIZTHUSFGFKO-YTQUADARSA-N 1 0 360.498 2.332 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247246350 549306591 /nfs/dbraw/zinc/30/65/91/549306591.db2.gz YLMPZBFELIRVGT-IAGOWNOFSA-N 1 0 363.527 2.058 10 30 FEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248415194 549432881 /nfs/dbraw/zinc/43/28/81/549432881.db2.gz NUJNBNYQJNUIHJ-BFYDXBDKSA-N 1 0 358.442 2.162 10 30 FEEERO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000249127514 549557491 /nfs/dbraw/zinc/55/74/91/549557491.db2.gz CNSLONOXIJITCI-SJORKVTESA-N 1 0 357.454 2.275 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249153543 549561352 /nfs/dbraw/zinc/56/13/52/549561352.db2.gz HWBHOGYULCVBLP-RDJZCZTQSA-N 1 0 370.453 2.003 10 30 FEEERO N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301395310 553648686 /nfs/dbraw/zinc/64/86/86/553648686.db2.gz LKCFARQLOPIHGT-OAHLLOKOSA-N 1 0 362.499 2.415 10 30 FEEERO Cc1ccncc1NC(=O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 ZINC000328649870 553802418 /nfs/dbraw/zinc/80/24/18/553802418.db2.gz VHNLTSQDICIDEA-OAHLLOKOSA-N 1 0 369.473 2.294 10 30 FEEERO Cc1ncc(S(=O)(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000386500159 558606939 /nfs/dbraw/zinc/60/69/39/558606939.db2.gz YXSYNAWUARELBG-AWEZNQCLSA-N 1 0 358.467 2.061 10 30 FEEERO CCc1nc(CNC(N[C@H]2CCc3nc(C(C)C)nn3C2)=[NH+]C)cs1 ZINC000152032861 672173877 /nfs/dbraw/zinc/17/38/77/672173877.db2.gz YASFYUWITFELKA-LBPRGKRZSA-N 1 0 361.519 2.100 10 30 FEEERO CC[NH+]=C(NCC1CCSCC1)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000262807993 672921513 /nfs/dbraw/zinc/92/15/13/672921513.db2.gz STDYGKRFFKOVAV-HNNXBMFYSA-N 1 0 364.563 2.415 10 30 FEEERO CCOc1c(Br)cc(C=NNC(N)=[NH2+])cc1Br ZINC000036511844 205016519 /nfs/dbraw/zinc/01/65/19/205016519.db2.gz DSDJPIILKAAYHR-WCSRMQSCSA-N 1 0 364.041 2.427 10 30 FEEERO N#Cc1cc(I)c(OC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000043497047 206048087 /nfs/dbraw/zinc/04/80/87/206048087.db2.gz CTQPAEQOHPOWIP-SECBINFHSA-N 1 0 373.150 2.202 10 30 FEEERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000102962510 325502714 /nfs/dbraw/zinc/50/27/14/325502714.db2.gz LAJSNRAZZOORRS-KRWDZBQOSA-N 1 0 354.385 2.055 10 30 FEEERO CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CCOC ZINC000173679902 327275957 /nfs/dbraw/zinc/27/59/57/327275957.db2.gz YVLJYFKKOGOBIQ-QGZVFWFLSA-N 1 0 355.442 2.151 10 30 FEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085635 546291505 /nfs/dbraw/zinc/29/15/05/546291505.db2.gz IZKFVKQFVPPLSA-HOTGVXAUSA-N 1 0 366.469 2.080 10 30 FEEERO C#CCCOc1ccc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317181 546593544 /nfs/dbraw/zinc/59/35/44/546593544.db2.gz WJKGQWYIFUKUJS-VQTJNVASSA-N 1 0 370.405 2.181 10 30 FEEERO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177684694 546666208 /nfs/dbraw/zinc/66/62/08/546666208.db2.gz OLCOIZWUIWVFGM-LSDHHAIUSA-N 1 0 372.494 2.326 10 30 FEEERO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1 ZINC000181141702 547256202 /nfs/dbraw/zinc/25/62/02/547256202.db2.gz CRSSXGAJPKVETC-GUYCJALGSA-N 1 0 364.287 2.473 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000185686178 548020284 /nfs/dbraw/zinc/02/02/84/548020284.db2.gz GUKZKWUBPPANRS-ROUUACIJSA-N 1 0 365.518 2.300 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000187800375 548263895 /nfs/dbraw/zinc/26/38/95/548263895.db2.gz ADGSTXOPFZBIRS-DZGCQCFKSA-N 1 0 355.454 2.101 10 30 FEEERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247091725 549281551 /nfs/dbraw/zinc/28/15/51/549281551.db2.gz JCWBTCQKTVIEOL-CABCVRRESA-N 1 0 374.510 2.477 10 30 FEEERO N#CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000311577960 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352.442 2.205 10 30 FEEERO N#CCCn1cc(CNC[C@@H](O)C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000113326984 543484580 /nfs/dbraw/zinc/48/45/80/543484580.db2.gz UQHWIFNYVIGUPH-HXUWFJFHSA-N 1 0 367.497 2.400 10 30 FEEERO C#CCOc1ccc(C(=O)N2CCCN(Cc3cnn(CC)c3)CC2)cc1 ZINC000119218268 543665441 /nfs/dbraw/zinc/66/54/41/543665441.db2.gz HBFQHVHKIFJKJW-UHFFFAOYSA-N 1 0 366.465 2.263 10 30 FEEERO C=CCCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000125729611 543898091 /nfs/dbraw/zinc/89/80/91/543898091.db2.gz XMXSRLUPYKTBAM-LJQANCHMSA-N 1 0 366.527 2.270 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000192938467 328347608 /nfs/dbraw/zinc/34/76/08/328347608.db2.gz ZOGWWUCHKPHQGE-SFHVURJKSA-N 1 0 370.478 2.096 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193415123 328373914 /nfs/dbraw/zinc/37/39/14/328373914.db2.gz OMRWEYZCTNGDOX-HZPDHXFCSA-N 1 0 371.485 2.138 10 30 FEEERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000170845607 546179982 /nfs/dbraw/zinc/17/99/82/546179982.db2.gz KCPFMXHJCRAYBM-HXUWFJFHSA-N 1 0 361.445 2.187 10 30 FEEERO COC(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000171235820 546198914 /nfs/dbraw/zinc/19/89/14/546198914.db2.gz DZKPVVQKVMROFT-CQSZACIVSA-N 1 0 363.845 2.472 10 30 FEEERO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246211549 549079122 /nfs/dbraw/zinc/07/91/22/549079122.db2.gz ZJEHVRQRLMLGAR-ZWKOTPCHSA-N 1 0 352.438 2.127 10 30 FEEERO C=C(Br)CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190702046 672646693 /nfs/dbraw/zinc/64/66/93/672646693.db2.gz IBCDAZSOSCPSRG-OAHLLOKOSA-N 1 0 367.291 2.454 10 30 FEEERO [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000261751156 672902801 /nfs/dbraw/zinc/90/28/01/672902801.db2.gz QCYOFKFISKNUQH-PRHODGIISA-N 1 0 358.211 2.105 10 30 FEEERO N#Cc1cc(I)c(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051890772 206146223 /nfs/dbraw/zinc/14/62/23/206146223.db2.gz QGDWDOPJZNIPSQ-QMMMGPOBSA-N 1 0 373.150 2.059 10 30 FEEERO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526443 542593616 /nfs/dbraw/zinc/59/36/16/542593616.db2.gz CXGFXKKJTLJUBH-IBGZPJMESA-N 1 0 366.465 2.416 10 30 FEEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000106914226 543255640 /nfs/dbraw/zinc/25/56/40/543255640.db2.gz NBADWSLAEOKXRD-NRFANRHFSA-N 1 0 362.477 2.380 10 30 FEEERO N#CCCN(C(=O)CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000108890126 543306974 /nfs/dbraw/zinc/30/69/74/543306974.db2.gz VMWMTXGCJWGYPJ-IBGZPJMESA-N 1 0 368.481 2.410 10 30 FEEERO CCn1cc(C[N@@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)cn1 ZINC000135053429 544332350 /nfs/dbraw/zinc/33/23/50/544332350.db2.gz VSDKZVSWGYYVCD-UHFFFAOYSA-N 1 0 353.470 2.491 10 30 FEEERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180175178 327674826 /nfs/dbraw/zinc/67/48/26/327674826.db2.gz WJHVXAMFWOGISG-KRWDZBQOSA-N 1 0 361.453 2.217 10 30 FEEERO COCC[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000191784849 328281557 /nfs/dbraw/zinc/28/15/57/328281557.db2.gz KSVIHVVYXHRZEN-CYBMUJFWSA-N 1 0 352.276 2.473 10 30 FEEERO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000171643625 327150621 /nfs/dbraw/zinc/15/06/21/327150621.db2.gz HAKBXXHAAQTQSG-PKOBYXMFSA-N 1 0 361.449 2.493 10 30 FEEERO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171644067 327150794 /nfs/dbraw/zinc/15/07/94/327150794.db2.gz ZJEHVRQRLMLGAR-ROUUACIJSA-N 1 0 352.438 2.127 10 30 FEEERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561792 549357888 /nfs/dbraw/zinc/35/78/88/549357888.db2.gz GDUZWOLIGDLEPW-ZWKOTPCHSA-N 1 0 354.454 2.394 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790132 546488523 /nfs/dbraw/zinc/48/85/23/546488523.db2.gz XQSYOKCZBOTHDR-KGLIPLIRSA-N 1 0 370.482 2.045 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CC ZINC000247775272 549380310 /nfs/dbraw/zinc/38/03/10/549380310.db2.gz QKEFCXYKZKCHDH-QUCCMNQESA-N 1 0 370.497 2.096 10 30 FEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248415197 549432974 /nfs/dbraw/zinc/43/29/74/549432974.db2.gz NUJNBNYQJNUIHJ-ZMSDIMECSA-N 1 0 358.442 2.162 10 30 FEEERO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(C#N)cs2)CC(=O)N1C ZINC000328645450 553801483 /nfs/dbraw/zinc/80/14/83/553801483.db2.gz ZQTBARBYZZRGPF-KBXCAEBGSA-N 1 0 357.483 2.279 10 30 FEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C(=O)N(C)CCC#N ZINC000174212907 672358945 /nfs/dbraw/zinc/35/89/45/672358945.db2.gz LVLCCELFXQWNGU-RRFJBIMHSA-N 1 0 352.479 2.030 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000029222359 717116730 /nfs/dbraw/zinc/11/67/30/717116730.db2.gz BQUAAVCVINGBRB-INIZCTEOSA-N 1 0 371.486 2.165 10 30 FEEERO C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477489 541820499 /nfs/dbraw/zinc/82/04/99/541820499.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 1 0 358.490 2.178 10 30 FEEERO CCOc1c(Br)cc(C=NNC(N)=[NH2+])cc1Br ZINC000007895084 204309731 /nfs/dbraw/zinc/30/97/31/204309731.db2.gz DSDJPIILKAAYHR-PJQLUOCWSA-N 1 0 364.041 2.427 10 30 FEEERO COc1ccccc1-c1c(C#N)c(SCC(N)=O)nc2c1C[N@H+](C)CC2 ZINC000040569993 205072942 /nfs/dbraw/zinc/07/29/42/205072942.db2.gz HKUBWZGLCOIGTJ-UHFFFAOYSA-N 1 0 368.462 2.194 10 30 FEEERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000106108367 543199662 /nfs/dbraw/zinc/19/96/62/543199662.db2.gz AIVPBXYHVUSNNF-AWEZNQCLSA-N 1 0 364.877 2.193 10 30 FEEERO CN(c1cccnn1)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000106085603 543193082 /nfs/dbraw/zinc/19/30/82/543193082.db2.gz YHZRJRXKCVVKBY-UHFFFAOYSA-N 1 0 364.453 2.278 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551876 543451928 /nfs/dbraw/zinc/45/19/28/543451928.db2.gz VNRQKTSYDVJOQT-LSDHHAIUSA-N 1 0 358.490 2.037 10 30 FEEERO COCC[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000191784863 328281542 /nfs/dbraw/zinc/28/15/42/328281542.db2.gz KSVIHVVYXHRZEN-ZDUSSCGKSA-N 1 0 352.276 2.473 10 30 FEEERO COc1ccccc1OCC(=O)ONC(=[NH2+])Cc1ccc(OC)c(OC)c1 ZINC000020275091 524666793 /nfs/dbraw/zinc/66/67/93/524666793.db2.gz LQZDSNCPZSQNNI-UHFFFAOYSA-N 1 0 374.393 2.149 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155313974 545509736 /nfs/dbraw/zinc/50/97/36/545509736.db2.gz FYAVUENSSZWUGR-AZUAARDMSA-N 1 0 372.513 2.201 10 30 FEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000159912501 545991920 /nfs/dbraw/zinc/99/19/20/545991920.db2.gz MVQJSGMLTIYOLH-HUUCEWRRSA-N 1 0 356.388 2.324 10 30 FEEERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1CC ZINC000172132984 546238101 /nfs/dbraw/zinc/23/81/01/546238101.db2.gz QQBQXNUVLAVNEB-SFHVURJKSA-N 1 0 374.485 2.231 10 30 FEEERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)CSCC#N ZINC000177467465 546625413 /nfs/dbraw/zinc/62/54/13/546625413.db2.gz KQUBCARBHQGCBT-GOSISDBHSA-N 1 0 361.511 2.147 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246195080 549074544 /nfs/dbraw/zinc/07/45/44/549074544.db2.gz OIMSMZWRLGSOPI-RISCZKNCSA-N 1 0 373.400 2.434 10 30 FEEERO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247775165 549378580 /nfs/dbraw/zinc/37/85/80/549378580.db2.gz QHZVYCNULAMECL-QAPCUYQASA-N 1 0 364.453 2.276 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC ZINC000247775269 549379842 /nfs/dbraw/zinc/37/98/42/549379842.db2.gz QKEFCXYKZKCHDH-ICSRJNTNSA-N 1 0 370.497 2.096 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387946 549425576 /nfs/dbraw/zinc/42/55/76/549425576.db2.gz CLWBKUAOKVGICK-SJORKVTESA-N 1 0 365.441 2.229 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000248545214 549454695 /nfs/dbraw/zinc/45/46/95/549454695.db2.gz JBCJXRUMOZJDTO-KGLIPLIRSA-N 1 0 353.875 2.459 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248680868 549483432 /nfs/dbraw/zinc/48/34/32/549483432.db2.gz OMRWEYZCTNGDOX-CVEARBPZSA-N 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CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000106120145 543203791 /nfs/dbraw/zinc/20/37/91/543203791.db2.gz NVIRQZMBRAREGJ-LJQANCHMSA-N 1 0 358.486 2.320 10 30 FEEERO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173518 543212714 /nfs/dbraw/zinc/21/27/14/543212714.db2.gz FNVGGMBIQLZETB-ROUUACIJSA-N 1 0 366.469 2.325 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000112551681 543452007 /nfs/dbraw/zinc/45/20/07/543452007.db2.gz VMRQSOVGLWSZPC-UKRRQHHQSA-N 1 0 352.442 2.205 10 30 FEEERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000123597146 543770938 /nfs/dbraw/zinc/77/09/38/543770938.db2.gz BGLNWTQZFBUNSU-GOSISDBHSA-N 1 0 361.486 2.266 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193399719 328373020 /nfs/dbraw/zinc/37/30/20/328373020.db2.gz HCWWPDRSINBKLR-IAGOWNOFSA-N 1 0 371.485 2.156 10 30 FEEERO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000174786285 327351300 /nfs/dbraw/zinc/35/13/00/327351300.db2.gz OVOOPGYHUMQJCQ-UHFFFAOYSA-N 1 0 352.442 2.378 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000159250755 545935627 /nfs/dbraw/zinc/93/56/27/545935627.db2.gz QCOXTIKXCWQFHW-MRXNPFEDSA-N 1 0 360.506 2.056 10 30 FEEERO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160417359 546038533 /nfs/dbraw/zinc/03/85/33/546038533.db2.gz IKLHORLIEBACIZ-MRXNPFEDSA-N 1 0 358.486 2.033 10 30 FEEERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175944037 546376881 /nfs/dbraw/zinc/37/68/81/546376881.db2.gz KTSIOVBMMJOOCX-QGZVFWFLSA-N 1 0 354.385 2.055 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184599325 547852041 /nfs/dbraw/zinc/85/20/41/547852041.db2.gz HFHWMQSPFNXGMF-INIZCTEOSA-N 1 0 358.442 2.285 10 30 FEEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612153 /nfs/dbraw/zinc/61/21/53/548612153.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 1 0 350.466 2.441 10 30 FEEERO Cc1nc(CN2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)no1 ZINC000246181553 549070840 /nfs/dbraw/zinc/07/08/40/549070840.db2.gz JJXOTDSZJKAMJZ-OAHLLOKOSA-N 1 0 355.442 2.377 10 30 FEEERO C[N@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000328630300 553798929 /nfs/dbraw/zinc/79/89/29/553798929.db2.gz JEXDBZGTHBEEKJ-AWEZNQCLSA-N 1 0 354.433 2.560 10 30 FEEERO CC[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000106114276 543201705 /nfs/dbraw/zinc/20/17/05/543201705.db2.gz DTJDFVIJBSENTE-HOCLYGCPSA-N 1 0 362.474 2.138 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1CC ZINC000106117899 543202724 /nfs/dbraw/zinc/20/27/24/543202724.db2.gz XYKDNNCBICNMFI-ZWKOTPCHSA-N 1 0 364.534 2.150 10 30 FEEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106180684 543214323 /nfs/dbraw/zinc/21/43/23/543214323.db2.gz OPZHUIGEMQBNAJ-KRWDZBQOSA-N 1 0 352.442 2.117 10 30 FEEERO C[NH+](C)C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000128214994 544039534 /nfs/dbraw/zinc/03/95/34/544039534.db2.gz QKKQFGXRHVNROQ-IBGZPJMESA-N 1 0 353.470 2.226 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000128392979 544049588 /nfs/dbraw/zinc/04/95/88/544049588.db2.gz VUVTYWVQCRUSGP-YJBOKZPZSA-N 1 0 360.454 2.053 10 30 FEEERO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000171643628 327150897 /nfs/dbraw/zinc/15/08/97/327150897.db2.gz HAKBXXHAAQTQSG-IEBWSBKVSA-N 1 0 361.449 2.493 10 30 FEEERO CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccc(C#N)cc2)ncn1 ZINC000173430662 327256281 /nfs/dbraw/zinc/25/62/81/327256281.db2.gz GLEIZRIVRMGZNB-QGZVFWFLSA-N 1 0 364.453 2.108 10 30 FEEERO Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1C#N ZINC000174601692 327337450 /nfs/dbraw/zinc/33/74/50/327337450.db2.gz UIEOVEKKANEWPZ-SFHVURJKSA-N 1 0 350.422 2.224 10 30 FEEERO CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261755414 328817151 /nfs/dbraw/zinc/81/71/51/328817151.db2.gz QNEAHJJDUBFLAX-ZDUSSCGKSA-N 1 0 361.389 2.325 10 30 FEEERO COCC[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000181094622 547248633 /nfs/dbraw/zinc/24/86/33/547248633.db2.gz AQDXHTQCIHPMAM-CYBMUJFWSA-N 1 0 352.276 2.473 10 30 FEEERO CN(C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C1(C#N)CCCCC1 ZINC000188143307 548272898 /nfs/dbraw/zinc/27/28/98/548272898.db2.gz ZXRMHQOGTQFYQL-IRXDYDNUSA-N 1 0 361.511 2.441 10 30 FEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000246433206 549131884 /nfs/dbraw/zinc/13/18/84/549131884.db2.gz MVQJSGMLTIYOLH-GJZGRUSLSA-N 1 0 356.388 2.324 10 30 FEEERO C=CCOc1ccc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263145372 549881143 /nfs/dbraw/zinc/88/11/43/549881143.db2.gz CQAOYQQHVNFHBD-PMGBHYCQSA-N 1 0 356.426 2.390 10 30 FEEERO C#CCCCNC(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192384090 672688621 /nfs/dbraw/zinc/68/86/21/672688621.db2.gz XNZOOMSHWZMVED-UHFFFAOYSA-N 1 0 351.491 2.237 10 30 FEEERO C=C(Br)CNC(=[NH+]CC)N1CC[C@H](Oc2ccccn2)C1 ZINC000262015872 672908032 /nfs/dbraw/zinc/90/80/32/672908032.db2.gz XTHHHDZIACHEPN-ZDUSSCGKSA-N 1 0 353.264 2.409 10 30 FEEERO Cc1ccc([C@H](C)NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)cc1F ZINC000262381793 672914610 /nfs/dbraw/zinc/91/46/10/672914610.db2.gz KOGSANPFDOZCOK-UONOGXRCSA-N 1 0 367.490 2.327 10 30 FEEERO C[C@H](NC(=O)[C@H](C)[N+]12CCN(CC1)CC2)c1ccc(Br)cc1 ZINC000029226179 717117307 /nfs/dbraw/zinc/11/73/07/717117307.db2.gz MJRVZZXPGJBVOS-KBPBESRZSA-O 1 0 367.311 2.161 10 30 FEEERO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)n1 ZINC000096073876 209108268 /nfs/dbraw/zinc/10/82/68/209108268.db2.gz JIVGPDPNHXKAGG-QUCCMNQESA-N 1 0 356.470 2.415 10 30 FEEERO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000108613497 543298148 /nfs/dbraw/zinc/29/81/48/543298148.db2.gz GCGVGSGLJCOYNV-KBPBESRZSA-N 1 0 360.483 2.039 10 30 FEEERO CN(C(=O)Nc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109352721 543322015 /nfs/dbraw/zinc/32/20/15/543322015.db2.gz QRFKYTIIGSYOAZ-UHFFFAOYSA-N 1 0 352.442 2.383 10 30 FEEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559412 543696467 /nfs/dbraw/zinc/69/64/67/543696467.db2.gz CJSGHIUEVYCCTL-KRWDZBQOSA-N 1 0 353.470 2.419 10 30 FEEERO COC(=O)C1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000180080238 327670212 /nfs/dbraw/zinc/67/02/12/327670212.db2.gz QCKYGWALAVVECS-UHFFFAOYSA-N 1 0 371.481 2.428 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)COc2ccccc2C#N)C1 ZINC000190647354 328221980 /nfs/dbraw/zinc/22/19/80/328221980.db2.gz PMPJMZNGZFRCPR-SFHVURJKSA-N 1 0 364.449 2.313 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247560296 549357664 /nfs/dbraw/zinc/35/76/64/549357664.db2.gz ZYZUOHWZWXIDID-WBVHZDCISA-N 1 0 357.454 2.421 10 30 FEEERO COc1ccc(C#N)cc1CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000159951222 545994915 /nfs/dbraw/zinc/99/49/15/545994915.db2.gz URJZFXUIYMSLAT-UHFFFAOYSA-N 1 0 353.470 2.235 10 30 FEEERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851470 546287531 /nfs/dbraw/zinc/28/75/31/546287531.db2.gz BFOYKVBBSPBIHM-YJBOKZPZSA-N 1 0 367.453 2.305 10 30 FEEERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357331 547478548 /nfs/dbraw/zinc/47/85/48/547478548.db2.gz SIXBJJXCGPXUIL-YJBOKZPZSA-N 1 0 367.453 2.477 10 30 FEEERO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000183162077 547613524 /nfs/dbraw/zinc/61/35/24/547613524.db2.gz BYDDKFNBLVTZTL-XJKSGUPXSA-N 1 0 354.372 2.330 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184616948 547854449 /nfs/dbraw/zinc/85/44/49/547854449.db2.gz CLWBKUAOKVGICK-IAGOWNOFSA-N 1 0 365.441 2.229 10 30 FEEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047437 548427428 /nfs/dbraw/zinc/42/74/28/548427428.db2.gz YQNVQZRQPOJCCQ-CQSZACIVSA-N 1 0 355.467 2.312 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246879178 549234131 /nfs/dbraw/zinc/23/41/31/549234131.db2.gz FSRVWPIWZRYEFI-CABCVRRESA-N 1 0 360.845 2.235 10 30 FEEERO CC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000247111262 549285047 /nfs/dbraw/zinc/28/50/47/549285047.db2.gz KRASMCRLQWBQAH-GOEBONIOSA-N 1 0 374.510 2.477 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC ZINC000247775283 549380427 /nfs/dbraw/zinc/38/04/27/549380427.db2.gz QKEXQJLTKVIFSU-APWZRJJASA-N 1 0 358.486 2.318 10 30 FEEERO C[C@@H]1CN([C@H](CNC(=O)c2ccnc(C#N)c2)c2cccs2)CCO1 ZINC000249113273 549554152 /nfs/dbraw/zinc/55/41/52/549554152.db2.gz RKQQOQULYALUJG-CZUORRHYSA-N 1 0 356.451 2.207 10 30 FEEERO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000249594370 549609114 /nfs/dbraw/zinc/60/91/14/549609114.db2.gz WJUKJLYGKYOGTG-SCTDSRPQSA-N 1 0 358.463 2.067 10 30 FEEERO C=CCNC(=O)Nc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262763177 549847441 /nfs/dbraw/zinc/84/74/41/549847441.db2.gz LQEXOSZNMYDXHO-INIZCTEOSA-N 1 0 368.441 2.367 10 30 FEEERO C[NH+]=C(NCC(=O)NC(C)C)N[C@@H](C)c1ccccc1Br ZINC000073933550 670511047 /nfs/dbraw/zinc/51/10/47/670511047.db2.gz DPMUHIRTLDSICN-NSHDSACASA-N 1 0 355.280 2.200 10 30 FEEERO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[C@@H]1O ZINC000261821211 672903526 /nfs/dbraw/zinc/90/35/26/672903526.db2.gz IIQMFQDIJRMJCI-LKTVYLICSA-N 1 0 360.285 2.353 10 30 FEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262769410 672920511 /nfs/dbraw/zinc/92/05/11/672920511.db2.gz HJZHBCFVANEIJT-YOEHRIQHSA-N 1 0 361.877 2.172 10 30 FEEERO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262803932 672921269 /nfs/dbraw/zinc/92/12/69/672921269.db2.gz SCANNRZDPUNJIX-QWHCGFSZSA-N 1 0 352.470 2.321 10 30 FEEERO C=CCOc1cc(Cl)c([C@H]2[NH2+][C@@](C)(CO)[C@H]3CN(C)C[C@H]32)cc1OC ZINC000065506733 541241399 /nfs/dbraw/zinc/24/13/99/541241399.db2.gz ULAHWMYFTGSYRJ-CFGMGRTJSA-N 1 0 366.889 2.487 10 30 FEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702193 542701331 /nfs/dbraw/zinc/70/13/31/542701331.db2.gz HKAFEPCDJQMUSA-IRXDYDNUSA-N 1 0 360.506 2.419 10 30 FEEERO COc1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)nn1C ZINC000092854539 542892373 /nfs/dbraw/zinc/89/23/73/542892373.db2.gz DHVGFPXYTAXFOK-UHFFFAOYSA-N 1 0 355.442 2.484 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC ZINC000106117904 543202264 /nfs/dbraw/zinc/20/22/64/543202264.db2.gz XYKDNNCBICNMFI-ROUUACIJSA-N 1 0 364.534 2.150 10 30 FEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000106218723 543219463 /nfs/dbraw/zinc/21/94/63/543219463.db2.gz HSVMMIRXIIHGPU-OAHLLOKOSA-N 1 0 358.833 2.469 10 30 FEEERO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)cc1 ZINC000117446863 543632460 /nfs/dbraw/zinc/63/24/60/543632460.db2.gz TZZOANLBHXJFQE-SFHVURJKSA-N 1 0 374.485 2.177 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)nc1 ZINC000189595397 328157185 /nfs/dbraw/zinc/15/71/85/328157185.db2.gz XCIMWJBQJKOHPQ-UHFFFAOYSA-N 1 0 367.428 2.116 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190338682 328201019 /nfs/dbraw/zinc/20/10/19/328201019.db2.gz QZLOGYAFIQGSJG-HUUCEWRRSA-N 1 0 360.845 2.235 10 30 FEEERO CN(c1cccnn1)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000106084103 325577983 /nfs/dbraw/zinc/57/79/83/325577983.db2.gz JEIQIGASHJGEPM-UHFFFAOYSA-N 1 0 364.453 2.278 10 30 FEEERO C[NH+](C)C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000116785206 326035082 /nfs/dbraw/zinc/03/50/82/326035082.db2.gz MKTMZWWSNWLGBM-GOSISDBHSA-N 1 0 369.421 2.133 10 30 FEEERO C[NH+](C)CC1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000153674277 326739450 /nfs/dbraw/zinc/73/94/50/326739450.db2.gz GHZLCDUCAGYMBX-UHFFFAOYSA-N 1 0 356.470 2.451 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247551059 549355005 /nfs/dbraw/zinc/35/50/05/549355005.db2.gz DZUCRHIVSKOANZ-ULQDDVLXSA-N 1 0 365.543 2.038 10 30 FEEERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1CC ZINC000172134606 546237800 /nfs/dbraw/zinc/23/78/00/546237800.db2.gz HGKYRGFOHHHZMF-QGZVFWFLSA-N 1 0 362.449 2.340 10 30 FEEERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000176000136 546388469 /nfs/dbraw/zinc/38/84/69/546388469.db2.gz WUGIXYDLXCOMFQ-IBGZPJMESA-N 1 0 361.445 2.187 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000176444868 546447912 /nfs/dbraw/zinc/44/79/12/546447912.db2.gz IEGMPOSTXBBHBR-QGZVFWFLSA-N 1 0 355.486 2.013 10 30 FEEERO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177686763 546667646 /nfs/dbraw/zinc/66/76/46/546667646.db2.gz TYWXXEIKUDUYCT-HUUCEWRRSA-N 1 0 372.494 2.183 10 30 FEEERO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000183162094 547613536 /nfs/dbraw/zinc/61/35/36/547613536.db2.gz BYDDKFNBLVTZTL-CZUORRHYSA-N 1 0 354.372 2.330 10 30 FEEERO C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000245932661 549023999 /nfs/dbraw/zinc/02/39/99/549023999.db2.gz SRJPRDKZCIAGOW-RTBURBONSA-N 1 0 366.550 2.168 10 30 FEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248415196 549432734 /nfs/dbraw/zinc/43/27/34/549432734.db2.gz NUJNBNYQJNUIHJ-UXLLHSPISA-N 1 0 358.442 2.162 10 30 FEEERO CC(C)n1cc([C@@]2(O)CCC[N@H+](CCOc3ccccc3C#N)C2)nn1 ZINC000284758149 551625912 /nfs/dbraw/zinc/62/59/12/551625912.db2.gz YCSWMRAASRWXDY-LJQANCHMSA-N 1 0 355.442 2.093 10 30 FEEERO C[NH+]=C(NCC(=O)NC(C)C)N[C@H](C)c1ccccc1Br ZINC000073933555 670510930 /nfs/dbraw/zinc/51/09/30/670510930.db2.gz DPMUHIRTLDSICN-LLVKDONJSA-N 1 0 355.280 2.200 10 30 FEEERO C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262432427 672915492 /nfs/dbraw/zinc/91/54/92/672915492.db2.gz FKLBPOSYRCHPLY-RHSMWYFYSA-N 1 0 360.531 2.149 10 30 FEEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)NC[C@@]1(O)CCSC1 ZINC000262432191 672915552 /nfs/dbraw/zinc/91/55/52/672915552.db2.gz SPWRXDVVDRTMJN-YIZWMMSDSA-N 1 0 353.454 2.388 10 30 FEEERO Cc1cc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)ccc1Br ZINC000029226015 717117405 /nfs/dbraw/zinc/11/74/05/717117405.db2.gz SXDGGSSHYOMHNT-ZDUSSCGKSA-O 1 0 353.284 2.231 10 30 FEEERO CCOCC[N@@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1CC ZINC000106117706 543202409 /nfs/dbraw/zinc/20/24/09/543202409.db2.gz YSVWPYOYKQIEBG-INIZCTEOSA-N 1 0 362.474 2.139 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551962 543452153 /nfs/dbraw/zinc/45/21/53/543452153.db2.gz ZZWNLAOFMJMIRP-BBRMVZONSA-N 1 0 352.442 2.205 10 30 FEEERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000116794932 543616081 /nfs/dbraw/zinc/61/60/81/543616081.db2.gz GONBLKQJSMMWPC-IBGZPJMESA-N 1 0 366.465 2.368 10 30 FEEERO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182856371 327791329 /nfs/dbraw/zinc/79/13/29/327791329.db2.gz PNZBKEYJVKSWDK-AWEZNQCLSA-N 1 0 359.451 2.325 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193399734 328373026 /nfs/dbraw/zinc/37/30/26/328373026.db2.gz HCWWPDRSINBKLR-DLBZAZTESA-N 1 0 371.485 2.156 10 30 FEEERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000116783722 326035299 /nfs/dbraw/zinc/03/52/99/326035299.db2.gz OWYBDOWBEKSART-KRWDZBQOSA-N 1 0 369.421 2.133 10 30 FEEERO Cc1cc(C#N)ccc1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000122030015 326381421 /nfs/dbraw/zinc/38/14/21/326381421.db2.gz ABVBQHACMIACDR-UHFFFAOYSA-N 1 0 351.454 2.300 10 30 FEEERO C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1ccc(-n2ccnc2C)nn1 ZINC000072477488 518711494 /nfs/dbraw/zinc/71/14/94/518711494.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 1 0 358.490 2.178 10 30 FEEERO N#CC1CCN(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000173503817 546283118 /nfs/dbraw/zinc/28/31/18/546283118.db2.gz QXOOUHWOELPMSO-HXUWFJFHSA-N 1 0 370.497 2.377 10 30 FEEERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357392 547478412 /nfs/dbraw/zinc/47/84/12/547478412.db2.gz SIXBJJXCGPXUIL-CRAIPNDOSA-N 1 0 367.453 2.477 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000184608815 547853303 /nfs/dbraw/zinc/85/33/03/547853303.db2.gz AZIUDPYPRFLFHU-YOEHRIQHSA-N 1 0 360.458 2.434 10 30 FEEERO C#CCOc1ccccc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000188097810 548271587 /nfs/dbraw/zinc/27/15/87/548271587.db2.gz XLJNJESJZXSOHG-INIZCTEOSA-N 1 0 359.470 2.255 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000190075647 548316458 /nfs/dbraw/zinc/31/64/58/548316458.db2.gz NCJZQVKGRKHXOH-LSDHHAIUSA-N 1 0 372.494 2.326 10 30 FEEERO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000246946058 549248281 /nfs/dbraw/zinc/24/82/81/549248281.db2.gz BEESZBJYQIHXLI-RTBURBONSA-N 1 0 372.513 2.364 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000248503782 549451386 /nfs/dbraw/zinc/45/13/86/549451386.db2.gz VAIZYPXOOAOGBE-KGLIPLIRSA-N 1 0 353.875 2.459 10 30 FEEERO N#Cc1nc(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302726139 553728993 /nfs/dbraw/zinc/72/89/93/553728993.db2.gz NTAUGOQFTFVIOF-UHFFFAOYSA-N 1 0 366.425 2.091 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066621812 541348459 /nfs/dbraw/zinc/34/84/59/541348459.db2.gz HKXVUVIRDGKAHS-QGZVFWFLSA-N 1 0 356.470 2.314 10 30 FEEERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000103476408 543110639 /nfs/dbraw/zinc/11/06/39/543110639.db2.gz QBZSSHRSCJRZED-INIZCTEOSA-N 1 0 352.442 2.378 10 30 FEEERO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079100 543191859 /nfs/dbraw/zinc/19/18/59/543191859.db2.gz WLEBZFNYGPNPAF-HNNXBMFYSA-N 1 0 370.482 2.339 10 30 FEEERO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160135758 546011810 /nfs/dbraw/zinc/01/18/10/546011810.db2.gz CGRBQMJVBSIBRI-MRXNPFEDSA-N 1 0 368.460 2.130 10 30 FEEERO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000163287021 546144191 /nfs/dbraw/zinc/14/41/91/546144191.db2.gz WWPGVZZYPJFAQU-AWEZNQCLSA-N 1 0 363.483 2.083 10 30 FEEERO C#CCCCNC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175598962 546317515 /nfs/dbraw/zinc/31/75/15/546317515.db2.gz BLSWHCCVYOLHGU-HXUWFJFHSA-N 1 0 357.498 2.487 10 30 FEEERO CCOCC[N@@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1CC ZINC000175979440 546384680 /nfs/dbraw/zinc/38/46/80/546384680.db2.gz CHZSBFJADFIVEG-SFHVURJKSA-N 1 0 374.485 2.079 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000177702937 546669963 /nfs/dbraw/zinc/66/99/63/546669963.db2.gz IOKLHLGXCHAOSZ-SFHVURJKSA-N 1 0 366.469 2.099 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000179344592 546935222 /nfs/dbraw/zinc/93/52/22/546935222.db2.gz FNSOPFCGFQHMGA-HKUYNNGSSA-N 1 0 359.445 2.112 10 30 FEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000187855440 548265434 /nfs/dbraw/zinc/26/54/34/548265434.db2.gz BHSSQLFUHNONBF-QGZVFWFLSA-N 1 0 373.497 2.266 10 30 FEEERO CNC(=O)C[NH+]1CCC(CN(C)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301333320 553643037 /nfs/dbraw/zinc/64/30/37/553643037.db2.gz BCIXOAPSDHBJKY-UHFFFAOYSA-N 1 0 368.403 2.471 10 30 FEEERO C[N@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000328625436 553798402 /nfs/dbraw/zinc/79/84/02/553798402.db2.gz DDNSWCFVEBKJQQ-AWEZNQCLSA-N 1 0 371.876 2.470 10 30 FEEERO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CCOC)[C@H](C)C2)c1=S ZINC000117321744 670914243 /nfs/dbraw/zinc/91/42/43/670914243.db2.gz FVSUIMZAKBLSMX-CQSZACIVSA-N 1 0 351.520 2.087 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160953 672348522 /nfs/dbraw/zinc/34/85/22/672348522.db2.gz PTNJRKUTYMWFRK-ZBFHGGJFSA-N 1 0 351.491 2.446 10 30 FEEERO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1CCC(C(F)(F)F)CC1 ZINC000262341815 672913951 /nfs/dbraw/zinc/91/39/51/672913951.db2.gz CSFXRJBPESFLSD-PNESKVBLSA-N 1 0 369.453 2.097 10 30 FEEERO CC[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1CCc2ncnn2C1 ZINC000262761895 672920562 /nfs/dbraw/zinc/92/05/62/672920562.db2.gz GCUGTKQNJVGKBQ-CQSZACIVSA-N 1 0 362.478 2.209 10 30 FEEERO CC(=O)NCc1cc(O[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000886072092 688199559 /nfs/dbraw/zinc/19/95/59/688199559.db2.gz PACHGOIDZNEZBO-INIZCTEOSA-N 1 0 356.451 2.304 10 30 FEEERO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077237 543190807 /nfs/dbraw/zinc/19/08/07/543190807.db2.gz FRMCDLJLHLQPDE-DOTOQJQBSA-N 1 0 364.453 2.276 10 30 FEEERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000106108366 543199779 /nfs/dbraw/zinc/19/97/79/543199779.db2.gz AIVPBXYHVUSNNF-CQSZACIVSA-N 1 0 364.877 2.193 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551882 543451762 /nfs/dbraw/zinc/45/17/62/543451762.db2.gz VNRQKTSYDVJOQT-CABCVRRESA-N 1 0 358.490 2.037 10 30 FEEERO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000128393495 544050261 /nfs/dbraw/zinc/05/02/61/544050261.db2.gz QSHHEEZBLITMLM-AWEZNQCLSA-N 1 0 372.446 2.454 10 30 FEEERO C=CCNC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000132944330 544249172 /nfs/dbraw/zinc/24/91/72/544249172.db2.gz KGOPMAMRWZWXKG-MSOLQXFVSA-N 1 0 358.486 2.177 10 30 FEEERO CCn1cc([C@@H]2CN(CCOc3ccc(C#N)cc3OC)CCO2)cn1 ZINC000190827362 328234550 /nfs/dbraw/zinc/23/45/50/328234550.db2.gz PDAKQNSPTHMXSI-IBGZPJMESA-N 1 0 356.426 2.236 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192708298 328334261 /nfs/dbraw/zinc/33/42/61/328334261.db2.gz BZHQIXPIFFIYMN-HNNXBMFYSA-N 1 0 361.490 2.146 10 30 FEEERO Cc1ncc(CN2CCN(Cc3cnc4ccc(C#N)cn34)CC2)s1 ZINC000120435935 326258768 /nfs/dbraw/zinc/25/87/68/326258768.db2.gz GFXLUXYILWDFPA-UHFFFAOYSA-N 1 0 352.467 2.289 10 30 FEEERO CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000247548451 549355088 /nfs/dbraw/zinc/35/50/88/549355088.db2.gz DTJDFVIJBSENTE-GDBMZVCRSA-N 1 0 362.474 2.138 10 30 FEEERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851479 546287327 /nfs/dbraw/zinc/28/73/27/546287327.db2.gz BFOYKVBBSPBIHM-MAUKXSAKSA-N 1 0 367.453 2.305 10 30 FEEERO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000178412847 546789278 /nfs/dbraw/zinc/78/92/78/546789278.db2.gz HGIRORSCUXVUOC-SFHVURJKSA-N 1 0 350.422 2.224 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180039227 547042220 /nfs/dbraw/zinc/04/22/20/547042220.db2.gz JBCJXRUMOZJDTO-ZIAGYGMSSA-N 1 0 353.875 2.459 10 30 FEEERO CCN1CCO[C@@H](CNC(=O)C2(C(=O)N(C)C)CC2)[C@@H]1c1ccccc1 ZINC000329013810 553864458 /nfs/dbraw/zinc/86/44/58/553864458.db2.gz PLTNJYLPIBYBEM-IRXDYDNUSA-N 1 0 359.470 2.273 10 30 FEEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C(=O)N(C)CCC#N ZINC000174212935 672358887 /nfs/dbraw/zinc/35/88/87/672358887.db2.gz LVLCCELFXQWNGU-ZNMIVQPWSA-N 1 0 352.479 2.030 10 30 FEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261995939 672907368 /nfs/dbraw/zinc/90/73/68/672907368.db2.gz SILBCRPRBFBADT-LZWOXQAQSA-N 1 0 365.909 2.030 10 30 FEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261995938 672907554 /nfs/dbraw/zinc/90/75/54/672907554.db2.gz SILBCRPRBFBADT-DZKIICNBSA-N 1 0 365.909 2.030 10 30 FEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@H](C)c1ccccc1Br ZINC000262017143 672907803 /nfs/dbraw/zinc/90/78/03/672907803.db2.gz XYBIGIIOTAFZNZ-SNVBAGLBSA-N 1 0 365.279 2.312 10 30 FEEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262454166 672916530 /nfs/dbraw/zinc/91/65/30/672916530.db2.gz KOZYGGUQUJIHRR-IAGOWNOFSA-N 1 0 362.543 2.007 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1ccc(OCc2ccccc2)cc1 ZINC000007613162 717105465 /nfs/dbraw/zinc/10/54/65/717105465.db2.gz OOQFAGCTRSFUSP-UHFFFAOYSA-O 1 0 352.458 2.350 10 30 FEEERO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129118 543206046 /nfs/dbraw/zinc/20/60/46/543206046.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 1 0 361.534 2.092 10 30 FEEERO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000129482535 544115006 /nfs/dbraw/zinc/11/50/06/544115006.db2.gz ULZCXVRKFLWDNF-QGZVFWFLSA-N 1 0 359.470 2.427 10 30 FEEERO CCOCC[N@@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1CC ZINC000157956957 545804856 /nfs/dbraw/zinc/80/48/56/545804856.db2.gz RIRCBOHAGAVFCM-SFHVURJKSA-N 1 0 361.486 2.378 10 30 FEEERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCSCC#N)CC1 ZINC000173886558 546288451 /nfs/dbraw/zinc/28/84/51/546288451.db2.gz ZOCIPJPAQHNHNO-UHFFFAOYSA-N 1 0 355.939 2.400 10 30 FEEERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000178830453 546856869 /nfs/dbraw/zinc/85/68/69/546856869.db2.gz OKYRYZAADNVWLX-QGZVFWFLSA-N 1 0 354.385 2.055 10 30 FEEERO COCC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000180100103 547051410 /nfs/dbraw/zinc/05/14/10/547051410.db2.gz QDQIQTJAXMTEIP-MRXNPFEDSA-N 1 0 353.470 2.111 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000187800619 548264198 /nfs/dbraw/zinc/26/41/98/548264198.db2.gz HADPPHHNHKKBNV-GOEBONIOSA-N 1 0 369.481 2.491 10 30 FEEERO CCn1cc(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cn1 ZINC000195499404 548650938 /nfs/dbraw/zinc/65/09/38/548650938.db2.gz NNWYOSDUACLZQC-LJQANCHMSA-N 1 0 354.454 2.394 10 30 FEEERO COc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000245801904 548996892 /nfs/dbraw/zinc/99/68/92/548996892.db2.gz XYJOTCNLYYKECM-SJORKVTESA-N 1 0 361.486 2.265 10 30 FEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386742 549122191 /nfs/dbraw/zinc/12/21/91/549122191.db2.gz KHBKXWYTNXQXCD-GDBMZVCRSA-N 1 0 374.510 2.476 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248430564 549434836 /nfs/dbraw/zinc/43/48/36/549434836.db2.gz AZIUDPYPRFLFHU-RHSMWYFYSA-N 1 0 360.458 2.434 10 30 FEEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CCOC2)[C@@H]1c1cnn(C)c1 ZINC000328633358 553799607 /nfs/dbraw/zinc/79/96/07/553799607.db2.gz SNUZHVLTSIAQIW-XYJFISCASA-N 1 0 363.506 2.075 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)NCCC(c1ccccc1)c1ccccc1 ZINC000029219797 717116750 /nfs/dbraw/zinc/11/67/50/717116750.db2.gz DGALJKOJSCHEKE-UHFFFAOYSA-O 1 0 364.513 2.471 10 30 FEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)N1CCOCC1 ZINC000249704250 717165118 /nfs/dbraw/zinc/16/51/18/717165118.db2.gz LLESHQZYRSZBAK-JOCHJYFZSA-N 1 0 360.434 2.113 10 30 FEEERO CC[NH+](CC)CCNC(=O)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000049625139 221025709 /nfs/dbraw/zinc/02/57/09/221025709.db2.gz OLJCZTUUCVWUJZ-UHFFFAOYSA-N 1 0 350.444 2.351 10 30 FEEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000106914228 543255439 /nfs/dbraw/zinc/25/54/39/543255439.db2.gz NBADWSLAEOKXRD-OAQYLSRUSA-N 1 0 362.477 2.380 10 30 FEEERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475197 328321331 /nfs/dbraw/zinc/32/13/31/328321331.db2.gz STZPGQSBNSMOTB-RHSMWYFYSA-N 1 0 354.406 2.420 10 30 FEEERO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C#N ZINC000119237304 326140428 /nfs/dbraw/zinc/14/04/28/326140428.db2.gz ZWNWUBWCASQNLA-PBHICJAKSA-N 1 0 372.469 2.129 10 30 FEEERO C[NH+](CCCNC=C1C=CC=CC1=O)CCCNC=C1C=CC=CC1=O ZINC000103682909 522742935 /nfs/dbraw/zinc/74/29/35/522742935.db2.gz INLCIBYKCJXHEO-YGGBKCGDSA-N 1 0 353.466 2.036 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155313873 545509842 /nfs/dbraw/zinc/50/98/42/545509842.db2.gz FYAVUENSSZWUGR-UYAOXDASSA-N 1 0 372.513 2.201 10 30 FEEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157749761 545779576 /nfs/dbraw/zinc/77/95/76/545779576.db2.gz IKDBSUNAAPTCIX-MRXNPFEDSA-N 1 0 355.442 2.437 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171804653 546225940 /nfs/dbraw/zinc/22/59/40/546225940.db2.gz LSXLCAKYSFWTDB-QUCCMNQESA-N 1 0 355.482 2.363 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984021 546289064 /nfs/dbraw/zinc/28/90/64/546289064.db2.gz YLMPZBFELIRVGT-IRXDYDNUSA-N 1 0 363.527 2.058 10 30 FEEERO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1N1CCOCC1 ZINC000245531648 548940655 /nfs/dbraw/zinc/94/06/55/548940655.db2.gz CRSSXGAJPKVETC-CXAGYDPISA-N 1 0 364.287 2.473 10 30 FEEERO COc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1OCCCC#N ZINC000245801900 548997111 /nfs/dbraw/zinc/99/71/11/548997111.db2.gz XYJOTCNLYYKECM-IRXDYDNUSA-N 1 0 361.486 2.265 10 30 FEEERO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1C#N ZINC000246278918 549094765 /nfs/dbraw/zinc/09/47/65/549094765.db2.gz ZWNWUBWCASQNLA-WMLDXEAASA-N 1 0 372.469 2.129 10 30 FEEERO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247146865 549290852 /nfs/dbraw/zinc/29/08/52/549290852.db2.gz TYWXXEIKUDUYCT-CABCVRRESA-N 1 0 372.494 2.183 10 30 FEEERO C=CCNC(=O)Nc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262763178 549847358 /nfs/dbraw/zinc/84/73/58/549847358.db2.gz LQEXOSZNMYDXHO-MRXNPFEDSA-N 1 0 368.441 2.367 10 30 FEEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014741531 210146897 /nfs/dbraw/zinc/14/68/97/210146897.db2.gz FFPPVXIBKQFQFG-QGZVFWFLSA-N 1 0 364.493 2.385 10 30 FEEERO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000046973249 540281223 /nfs/dbraw/zinc/28/12/23/540281223.db2.gz XMCIYNDYFNFVBE-APWZRJJASA-N 1 0 356.470 2.343 10 30 FEEERO C=CCC[C@@H](C[NH+]1CCCC1)Oc1ncc(F)c(N2CCOCC2)n1 ZINC000072424391 132303101 /nfs/dbraw/zinc/30/31/01/132303101.db2.gz XOUSZAHAZHTWND-HNNXBMFYSA-N 1 0 350.438 2.262 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000097258674 543008442 /nfs/dbraw/zinc/00/84/42/543008442.db2.gz NVYQMYJUYFAOLY-MRXNPFEDSA-N 1 0 374.485 2.376 10 30 FEEERO Cc1ccc(N2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000106074854 543189544 /nfs/dbraw/zinc/18/95/44/543189544.db2.gz IUGRTDZPZVZHMH-UHFFFAOYSA-N 1 0 364.453 2.198 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117955 543202908 /nfs/dbraw/zinc/20/29/08/543202908.db2.gz DSXKPPVMNHENKF-WMZOPIPTSA-N 1 0 358.486 2.318 10 30 FEEERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000106181804 543214843 /nfs/dbraw/zinc/21/48/43/543214843.db2.gz JJWBUCCJDCMEFE-SFHVURJKSA-N 1 0 372.517 2.292 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000106340611 543224118 /nfs/dbraw/zinc/22/41/18/543224118.db2.gz OLNOSKZXAMHWDN-MRXNPFEDSA-N 1 0 361.490 2.383 10 30 FEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559552 543696397 /nfs/dbraw/zinc/69/63/97/543696397.db2.gz CJSGHIUEVYCCTL-QGZVFWFLSA-N 1 0 353.470 2.419 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936733 328347786 /nfs/dbraw/zinc/34/77/86/328347786.db2.gz IINNKTWUYOKFJI-SFHVURJKSA-N 1 0 370.478 2.096 10 30 FEEERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccnc1C#N ZINC000107895803 325636799 /nfs/dbraw/zinc/63/67/99/325636799.db2.gz COMSRBXONQANEG-LJQANCHMSA-N 1 0 351.454 2.230 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000159250905 545936737 /nfs/dbraw/zinc/93/67/37/545936737.db2.gz QCOXTIKXCWQFHW-INIZCTEOSA-N 1 0 360.506 2.056 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160582513 546053571 /nfs/dbraw/zinc/05/35/71/546053571.db2.gz MMVLPMOOZZQWIY-QGZVFWFLSA-N 1 0 374.485 2.376 10 30 FEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000173927847 546288347 /nfs/dbraw/zinc/28/83/47/546288347.db2.gz GAOFUEIYNDMWDH-MSOLQXFVSA-N 1 0 360.506 2.323 10 30 FEEERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180248825 547073209 /nfs/dbraw/zinc/07/32/09/547073209.db2.gz KZUKRVDXTJACOM-UZLBHIALSA-N 1 0 365.481 2.111 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C1 ZINC000195296241 548614860 /nfs/dbraw/zinc/61/48/60/548614860.db2.gz UOWKMDHVJMPVEF-INIZCTEOSA-N 1 0 369.494 2.407 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249201490 549568569 /nfs/dbraw/zinc/56/85/69/549568569.db2.gz QZLOGYAFIQGSJG-CABCVRRESA-N 1 0 360.845 2.235 10 30 FEEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087248 670889497 /nfs/dbraw/zinc/88/94/97/670889497.db2.gz SFIGDYJGPXXSRW-ZDUSSCGKSA-N 1 0 359.301 2.331 10 30 FEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262769407 672920513 /nfs/dbraw/zinc/92/05/13/672920513.db2.gz HJZHBCFVANEIJT-PBHICJAKSA-N 1 0 361.877 2.172 10 30 FEEERO CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)cc1 ZINC000029228808 717117858 /nfs/dbraw/zinc/11/78/58/717117858.db2.gz AWHRPUYGHZXWNY-MRXNPFEDSA-O 1 0 360.478 2.117 10 30 FEEERO C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840543 210171200 /nfs/dbraw/zinc/17/12/00/210171200.db2.gz FENHZCVIIIYKCY-NRFANRHFSA-N 1 0 374.456 2.135 10 30 FEEERO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCOC)C2 ZINC000014533858 210146567 /nfs/dbraw/zinc/14/65/67/210146567.db2.gz ZKXJYKREQYZVIR-MRXNPFEDSA-N 1 0 360.502 2.179 10 30 FEEERO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000072866994 541885466 /nfs/dbraw/zinc/88/54/66/541885466.db2.gz FIIBWFJXTJTTKM-RTBURBONSA-N 1 0 354.454 2.230 10 30 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ZINC000190339618 548323846 /nfs/dbraw/zinc/32/38/46/548323846.db2.gz CNSLONOXIJITCI-IAGOWNOFSA-N 1 0 357.454 2.275 10 30 FEEERO CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000246716919 549194942 /nfs/dbraw/zinc/19/49/42/549194942.db2.gz DFFRYIWVDNQXHQ-PKOBYXMFSA-N 1 0 373.497 2.411 10 30 FEEERO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247067790 549276151 /nfs/dbraw/zinc/27/61/51/549276151.db2.gz OLCOIZWUIWVFGM-GJZGRUSLSA-N 1 0 372.494 2.326 10 30 FEEERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000311766246 553755597 /nfs/dbraw/zinc/75/55/97/553755597.db2.gz IYHSKNVEGGMUOH-KRWDZBQOSA-N 1 0 371.506 2.442 10 30 FEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N(C)Cc1ccccc1Br ZINC000262234136 672911464 /nfs/dbraw/zinc/91/14/64/672911464.db2.gz NQYJQYNZVOBONB-NSHDSACASA-N 1 0 368.197 2.380 10 30 FEEERO Cc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)N2CCOCC2)s1 ZINC000262467706 672916486 /nfs/dbraw/zinc/91/64/86/672916486.db2.gz OCZQFRLGULVALD-MRXNPFEDSA-N 1 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ZINC000120656361 543683294 /nfs/dbraw/zinc/68/32/94/543683294.db2.gz XYJOTCNLYYKECM-DLBZAZTESA-N 1 0 361.486 2.265 10 30 FEEERO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121583648 543696982 /nfs/dbraw/zinc/69/69/82/543696982.db2.gz SGUGRRKGYAFTEJ-UHFFFAOYSA-N 1 0 366.513 2.478 10 30 FEEERO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)n1 ZINC000096073875 222011961 /nfs/dbraw/zinc/01/19/61/222011961.db2.gz JIVGPDPNHXKAGG-AZUAARDMSA-N 1 0 356.470 2.415 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000192936747 328347795 /nfs/dbraw/zinc/34/77/95/328347795.db2.gz IINNKTWUYOKFJI-GOSISDBHSA-N 1 0 370.478 2.096 10 30 FEEERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccnc1C#N ZINC000107895800 325636753 /nfs/dbraw/zinc/63/67/53/325636753.db2.gz COMSRBXONQANEG-IBGZPJMESA-N 1 0 351.454 2.230 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3sccc3C#N)CC2)nc1 ZINC000114414042 325890290 /nfs/dbraw/zinc/89/02/90/325890290.db2.gz MNVFQOLJZPKFMI-UHFFFAOYSA-N 1 0 355.467 2.039 10 30 FEEERO C[NH+](C)C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000116785209 326034913 /nfs/dbraw/zinc/03/49/13/326034913.db2.gz MKTMZWWSNWLGBM-SFHVURJKSA-N 1 0 369.421 2.133 10 30 FEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000119520783 326171121 /nfs/dbraw/zinc/17/11/21/326171121.db2.gz NDWJZOOLUIUUPP-GOSISDBHSA-N 1 0 366.469 2.176 10 30 FEEERO CN(C(=O)/C=C/c1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934270 327171165 /nfs/dbraw/zinc/17/11/65/327171165.db2.gz UKDLCZVQNLHTHQ-BQYQJAHWSA-N 1 0 363.465 2.391 10 30 FEEERO N#CC1CCN(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000173503826 546282616 /nfs/dbraw/zinc/28/26/16/546282616.db2.gz QXOOUHWOELPMSO-FQEVSTJZSA-N 1 0 370.497 2.377 10 30 FEEERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851502 546287268 /nfs/dbraw/zinc/28/72/68/546287268.db2.gz BFOYKVBBSPBIHM-CRAIPNDOSA-N 1 0 367.453 2.305 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181733340 547369438 /nfs/dbraw/zinc/36/94/38/547369438.db2.gz NJDUDNICISJSEW-GJZGRUSLSA-N 1 0 360.458 2.008 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195056178 548570378 /nfs/dbraw/zinc/57/03/78/548570378.db2.gz NOJCDFNMEATPDZ-QGZVFWFLSA-N 1 0 357.454 2.423 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246195065 549075240 /nfs/dbraw/zinc/07/52/40/549075240.db2.gz OIMSMZWRLGSOPI-FZMZJTMJSA-N 1 0 373.400 2.434 10 30 FEEERO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N[C@@H]1C[C@@H]1C ZINC000083881263 670661743 /nfs/dbraw/zinc/66/17/43/670661743.db2.gz GOUFZHNFHUXHQT-CMPLNLGQSA-N 1 0 353.264 2.269 10 30 FEEERO [NH2+]=C(NC[C@H]1CCCO1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000261751154 672902622 /nfs/dbraw/zinc/90/26/22/672902622.db2.gz QCYOFKFISKNUQH-PELKAZGASA-N 1 0 358.211 2.105 10 30 FEEERO CC[C@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123486149 543764117 /nfs/dbraw/zinc/76/41/17/543764117.db2.gz AXOWJDVGOYDDMZ-FQEVSTJZSA-N 1 0 367.497 2.352 10 30 FEEERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548767 328215367 /nfs/dbraw/zinc/21/53/67/328215367.db2.gz LORUSBQYJNFMNI-AWEZNQCLSA-N 1 0 357.483 2.256 10 30 FEEERO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000054538943 324761617 /nfs/dbraw/zinc/76/16/17/324761617.db2.gz FGDSFFVEIULVLO-MRXNPFEDSA-N 1 0 360.458 2.314 10 30 FEEERO CCC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C ZINC000161472857 327000286 /nfs/dbraw/zinc/00/02/86/327000286.db2.gz LXQFOUNKNMCHOZ-GOSISDBHSA-N 1 0 368.485 2.105 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551964 517492372 /nfs/dbraw/zinc/49/23/72/517492372.db2.gz ZZWNLAOFMJMIRP-CJNGLKHVSA-N 1 0 352.442 2.205 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247560290 549357537 /nfs/dbraw/zinc/35/75/37/549357537.db2.gz ZYZUOHWZWXIDID-RDJZCZTQSA-N 1 0 357.454 2.421 10 30 FEEERO CC(C)Oc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C#N ZINC000157751436 545779500 /nfs/dbraw/zinc/77/95/00/545779500.db2.gz HRKOENPNKMQJAL-QGZVFWFLSA-N 1 0 360.458 2.314 10 30 FEEERO CCOCC[N@@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1CC ZINC000157956813 545804880 /nfs/dbraw/zinc/80/48/80/545804880.db2.gz RIRCBOHAGAVFCM-GOSISDBHSA-N 1 0 361.486 2.378 10 30 FEEERO CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000192103106 548358038 /nfs/dbraw/zinc/35/80/38/548358038.db2.gz CCFLDTHTFIJDKH-UHFFFAOYSA-N 1 0 372.469 2.221 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000248837422 549510525 /nfs/dbraw/zinc/51/05/25/549510525.db2.gz HCWWPDRSINBKLR-IRXDYDNUSA-N 1 0 371.485 2.156 10 30 FEEERO CC(C)n1cc([C@]2(O)CCC[N@H+](CCOc3ccc(C#N)cc3)C2)nn1 ZINC000284528233 551570122 /nfs/dbraw/zinc/57/01/22/551570122.db2.gz FYVQQCVTJUVESB-IBGZPJMESA-N 1 0 355.442 2.093 10 30 FEEERO Cc1nnc(CNC(N[C@@H]2CCC[C@H](C(F)(F)F)C2)=[NH+]C2CC2)n1C ZINC000261963845 672906414 /nfs/dbraw/zinc/90/64/14/672906414.db2.gz KZOOSJHLMCCMOD-WCQYABFASA-N 1 0 358.412 2.442 10 30 FEEERO CC[NH+]=C(NCC1CCSCC1)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000262761991 672920541 /nfs/dbraw/zinc/92/05/41/672920541.db2.gz GEXYSUWQDFIYHT-HNNXBMFYSA-N 1 0 364.563 2.415 10 30 FEEERO C[C@@H](NC(=O)[C@H](C)[N+]12CCN(CC1)CC2)c1ccc(Br)cc1 ZINC000029226173 717117295 /nfs/dbraw/zinc/11/72/95/717117295.db2.gz MJRVZZXPGJBVOS-KGLIPLIRSA-O 1 0 367.311 2.161 10 30 FEEERO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1CCOC ZINC000106114769 543201375 /nfs/dbraw/zinc/20/13/75/543201375.db2.gz YQPVAUCKWWACND-INIZCTEOSA-N 1 0 364.877 2.193 10 30 FEEERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000106114274 543202008 /nfs/dbraw/zinc/20/20/08/543202008.db2.gz DTJDFVIJBSENTE-GOEBONIOSA-N 1 0 362.474 2.138 10 30 FEEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116309702 543606671 /nfs/dbraw/zinc/60/66/71/543606671.db2.gz IADFKOWSFSPCLY-MJGOQNOKSA-N 1 0 371.481 2.386 10 30 FEEERO N#Cc1cc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)ccn1 ZINC000193398033 328372800 /nfs/dbraw/zinc/37/28/00/328372800.db2.gz OROOAZZZNVZDMG-FQEVSTJZSA-N 1 0 364.449 2.129 10 30 FEEERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000171650775 327151629 /nfs/dbraw/zinc/15/16/29/327151629.db2.gz AJNVUCCGZUCOBZ-MOPGFXCFSA-N 1 0 366.465 2.435 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000247548331 549355633 /nfs/dbraw/zinc/35/56/33/549355633.db2.gz DSXKPPVMNHENKF-AEFFLSMTSA-N 1 0 358.486 2.318 10 30 FEEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247557448 549356085 /nfs/dbraw/zinc/35/60/85/549356085.db2.gz FRMCDLJLHLQPDE-WBVHZDCISA-N 1 0 364.453 2.276 10 30 FEEERO Cc1nc(C[C@@H]2CCCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000171405762 546207226 /nfs/dbraw/zinc/20/72/26/546207226.db2.gz FUVKMAMRRYBNJB-HOCLYGCPSA-N 1 0 359.474 2.364 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000171705160 546219495 /nfs/dbraw/zinc/21/94/95/546219495.db2.gz CAPVKUIVMBCKQY-CQSZACIVSA-N 1 0 365.499 2.101 10 30 FEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085664 546291341 /nfs/dbraw/zinc/29/13/41/546291341.db2.gz IZKFVKQFVPPLSA-CVEARBPZSA-N 1 0 366.469 2.080 10 30 FEEERO N#CCCCCNC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174726943 546302404 /nfs/dbraw/zinc/30/24/04/546302404.db2.gz HWVBPNCHWOPFNM-IBGZPJMESA-N 1 0 358.486 2.425 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600192 547852162 /nfs/dbraw/zinc/85/21/62/547852162.db2.gz IJEGOVYOBNWDHP-MRXNPFEDSA-N 1 0 353.430 2.087 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184963584 547908468 /nfs/dbraw/zinc/90/84/68/547908468.db2.gz VAIZYPXOOAOGBE-ZIAGYGMSSA-N 1 0 353.875 2.459 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000194255523 548455579 /nfs/dbraw/zinc/45/55/79/548455579.db2.gz JYFONDBYQUEKNB-OAHLLOKOSA-N 1 0 350.488 2.185 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC ZINC000246410038 549126986 /nfs/dbraw/zinc/12/69/86/549126986.db2.gz JWXMWCZIGJBBFK-RTBURBONSA-N 1 0 359.470 2.205 10 30 FEEERO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247067773 549276091 /nfs/dbraw/zinc/27/60/91/549276091.db2.gz OLCOIZWUIWVFGM-CABCVRRESA-N 1 0 372.494 2.326 10 30 FEEERO N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)C2=O)cc1 ZINC000249544724 549602327 /nfs/dbraw/zinc/60/23/27/549602327.db2.gz FXXILOMEKVWONP-WDSOQIARSA-N 1 0 367.474 2.433 10 30 FEEERO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248816087 672863550 /nfs/dbraw/zinc/86/35/50/672863550.db2.gz ALVDGQFGJYNDMK-BZUAXINKSA-N 1 0 356.388 2.350 10 30 FEEERO C[NH+]=C(NCC1(CO)CCOCC1)NC1CCC(C(F)(F)F)CC1 ZINC000261941129 672905669 /nfs/dbraw/zinc/90/56/69/672905669.db2.gz KMTUJAOQTYXLEJ-UHFFFAOYSA-N 1 0 351.413 2.062 10 30 FEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NCCCOC ZINC000249698475 717164525 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FEEERO CCc1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181937632 327753705 /nfs/dbraw/zinc/75/37/05/327753705.db2.gz ACHNBKLYAKQOGP-LJQANCHMSA-N 1 0 364.497 2.281 10 30 FEEERO CCC[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+](C)C ZINC000161472764 327000500 /nfs/dbraw/zinc/00/05/00/327000500.db2.gz LXQFOUNKNMCHOZ-SFHVURJKSA-N 1 0 368.485 2.105 10 30 FEEERO COc1cc(C#N)ccc1OCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000157929542 545801829 /nfs/dbraw/zinc/80/18/29/545801829.db2.gz ODDOERJZQFNMNY-UHFFFAOYSA-N 1 0 367.453 2.336 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)CC1 ZINC000188682521 548285608 /nfs/dbraw/zinc/28/56/08/548285608.db2.gz QSLVUQCKGVLJRZ-SFHVURJKSA-N 1 0 361.490 2.026 10 30 FEEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935122 548376585 /nfs/dbraw/zinc/37/65/85/548376585.db2.gz MOXGPRYOQDGTHS-HNNXBMFYSA-N 1 0 370.544 2.229 10 30 FEEERO CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246720434 549195474 /nfs/dbraw/zinc/19/54/74/549195474.db2.gz DOTSPLWZKIGEEJ-ILZDJORESA-N 1 0 373.497 2.265 10 30 FEEERO CCc1nnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C#N)c1CC ZINC000301625125 553666743 /nfs/dbraw/zinc/66/67/43/553666743.db2.gz POWWMNGGSUTJAQ-KRWDZBQOSA-N 1 0 365.481 2.304 10 30 FEEERO C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329267514 553914205 /nfs/dbraw/zinc/91/42/05/553914205.db2.gz HTMDZQIEQASXGH-HDEZJCGLSA-N 1 0 351.491 2.232 10 30 FEEERO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000128582656 672050520 /nfs/dbraw/zinc/05/05/20/672050520.db2.gz SNNCWJDGRUWYMH-CYBMUJFWSA-N 1 0 361.519 2.155 10 30 FEEERO C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262021694 672908030 /nfs/dbraw/zinc/90/80/30/672908030.db2.gz YYQRNDWGMYQFBE-OAHLLOKOSA-N 1 0 359.499 2.426 10 30 FEEERO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2cc(C#N)n(C)c2C)C1 ZINC000886068787 688199319 /nfs/dbraw/zinc/19/93/19/688199319.db2.gz RFLAUEPLEJZSEG-SFHVURJKSA-N 1 0 357.483 2.207 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029223349 717116761 /nfs/dbraw/zinc/11/67/61/717116761.db2.gz NQZWKEJIXZQFIQ-NRFANRHFSA-O 1 0 350.486 2.233 10 30 FEEERO N#Cc1ccccc1Cn1c(=O)c2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000006716417 539435067 /nfs/dbraw/zinc/43/50/67/539435067.db2.gz OYNURZXTLNNKAP-QGZVFWFLSA-N 1 0 359.433 2.244 10 30 in-vivo FEEERO N#Cc1c(N)nc2c(c1-c1ccc(C(N)=O)cc1)CC1(CC[NH2+]CC1)CC2 ZINC000071388720 221345148 /nfs/dbraw/zinc/34/51/48/221345148.db2.gz CHFULHRHPGNZAL-UHFFFAOYSA-N 1 0 361.449 2.160 10 30 FEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702196 542701253 /nfs/dbraw/zinc/70/12/53/542701253.db2.gz HKAFEPCDJQMUSA-DLBZAZTESA-N 1 0 360.506 2.419 10 30 FEEERO C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000226278110 132374829 /nfs/dbraw/zinc/37/48/29/132374829.db2.gz BKMCJYIFVQIBER-UHFFFAOYSA-N 1 0 371.359 2.282 10 30 FEEERO Cc1ccc(N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)nn1 ZINC000106074755 543189725 /nfs/dbraw/zinc/18/97/25/543189725.db2.gz JDPALOPETYYUES-UHFFFAOYSA-N 1 0 364.453 2.198 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106098677 543195287 /nfs/dbraw/zinc/19/52/87/543195287.db2.gz DZUCRHIVSKOANZ-ZACQAIPSSA-N 1 0 365.543 2.038 10 30 FEEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000106208689 543217988 /nfs/dbraw/zinc/21/79/88/543217988.db2.gz RAWFCMVFZQMZGT-HKUYNNGSSA-N 1 0 354.454 2.485 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113227117 543478018 /nfs/dbraw/zinc/47/80/18/543478018.db2.gz SAIMKYGKIJXEEG-IEBWSBKVSA-N 1 0 368.481 2.409 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227467 543478606 /nfs/dbraw/zinc/47/86/06/543478606.db2.gz ZYZUOHWZWXIDID-DOTOQJQBSA-N 1 0 357.454 2.421 10 30 FEEERO Cc1cnn(C[C@@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461620 543707099 /nfs/dbraw/zinc/70/70/99/543707099.db2.gz YGHMIXFCYKJIOI-FQEVSTJZSA-N 1 0 353.470 2.442 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000128393205 544049698 /nfs/dbraw/zinc/04/96/98/544049698.db2.gz VUVTYWVQCRUSGP-CRAIPNDOSA-N 1 0 360.454 2.053 10 30 FEEERO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)n1 ZINC000096073874 222012717 /nfs/dbraw/zinc/01/27/17/222012717.db2.gz JIVGPDPNHXKAGG-UYAOXDASSA-N 1 0 356.470 2.415 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193415135 328374092 /nfs/dbraw/zinc/37/40/92/328374092.db2.gz OMRWEYZCTNGDOX-JKSUJKDBSA-N 1 0 371.485 2.138 10 30 FEEERO CCN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820699 328397135 /nfs/dbraw/zinc/39/71/35/328397135.db2.gz NAXZUYBHRBFXGV-LBPRGKRZSA-N 1 0 361.389 2.340 10 30 FEEERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000174091992 546291516 /nfs/dbraw/zinc/29/15/16/546291516.db2.gz POVBFIJTQCXPAP-ICSRJNTNSA-N 1 0 372.513 2.019 10 30 FEEERO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000183162044 547613797 /nfs/dbraw/zinc/61/37/97/547613797.db2.gz BYDDKFNBLVTZTL-BBRMVZONSA-N 1 0 354.372 2.330 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000185686216 548020221 /nfs/dbraw/zinc/02/02/21/548020221.db2.gz GUKZKWUBPPANRS-MSOLQXFVSA-N 1 0 365.518 2.300 10 30 FEEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)N1CCOCC1 ZINC000073650360 670505273 /nfs/dbraw/zinc/50/52/73/670505273.db2.gz RLNPAAIZNAPVCY-AWEZNQCLSA-N 1 0 367.287 2.271 10 30 FEEERO Cc1nnc(CNC(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)=[NH+]C2CC2)n1C ZINC000261963842 672906457 /nfs/dbraw/zinc/90/64/57/672906457.db2.gz KZOOSJHLMCCMOD-DGCLKSJQSA-N 1 0 358.412 2.442 10 30 FEEERO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082618 543192268 /nfs/dbraw/zinc/19/22/68/543192268.db2.gz MMXHYVPXVAVXGI-UHFFFAOYSA-N 1 0 356.455 2.315 10 30 FEEERO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000106098618 543195713 /nfs/dbraw/zinc/19/57/13/543195713.db2.gz QMYCVCHYIWFGFU-QRVBRYPASA-N 1 0 372.513 2.017 10 30 FEEERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1CC ZINC000106117614 543202396 /nfs/dbraw/zinc/20/23/96/543202396.db2.gz TYRQJYXDDXYKJX-GOSISDBHSA-N 1 0 358.486 2.320 10 30 FEEERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC ZINC000106120147 543203667 /nfs/dbraw/zinc/20/36/67/543203667.db2.gz NVIRQZMBRAREGJ-IBGZPJMESA-N 1 0 358.486 2.320 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](NC(=O)CCC)C2)CC1 ZINC000106340884 543224302 /nfs/dbraw/zinc/22/43/02/543224302.db2.gz LTAIGZXYPHLJRI-QGZVFWFLSA-N 1 0 350.507 2.117 10 30 FEEERO Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000123127651 326420974 /nfs/dbraw/zinc/42/09/74/326420974.db2.gz FOXOJFNUIZXSEB-UHFFFAOYSA-N 1 0 363.465 2.286 10 30 FEEERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(C#N)c2)ncn1 ZINC000174360374 327322085 /nfs/dbraw/zinc/32/20/85/327322085.db2.gz WCHCRMULPZTKBF-INIZCTEOSA-N 1 0 352.442 2.157 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175006863 327367480 /nfs/dbraw/zinc/36/74/80/327367480.db2.gz FSRVWPIWZRYEFI-HUUCEWRRSA-N 1 0 360.845 2.235 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000176996573 546520642 /nfs/dbraw/zinc/52/06/42/546520642.db2.gz YMNJBXBOLWGFHU-QGZVFWFLSA-N 1 0 368.485 2.093 10 30 FEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184627763 547856578 /nfs/dbraw/zinc/85/65/78/547856578.db2.gz IOMHAMFURXSILF-QGZVFWFLSA-N 1 0 367.457 2.381 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000185686156 548020300 /nfs/dbraw/zinc/02/03/00/548020300.db2.gz GUKZKWUBPPANRS-ZWKOTPCHSA-N 1 0 365.518 2.300 10 30 FEEERO C#CCOc1ccccc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000188097837 548271810 /nfs/dbraw/zinc/27/18/10/548271810.db2.gz XLJNJESJZXSOHG-MRXNPFEDSA-N 1 0 359.470 2.255 10 30 FEEERO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247775166 549378390 /nfs/dbraw/zinc/37/83/90/549378390.db2.gz QHZVYCNULAMECL-YJBOKZPZSA-N 1 0 364.453 2.276 10 30 FEEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247926387 549391876 /nfs/dbraw/zinc/39/18/76/549391876.db2.gz ZVDCZJVLMKZZHZ-AGYKMIKPSA-N 1 0 372.517 2.309 10 30 FEEERO CC(=O)NCc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000886072093 688199388 /nfs/dbraw/zinc/19/93/88/688199388.db2.gz PACHGOIDZNEZBO-MRXNPFEDSA-N 1 0 356.451 2.304 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000113442019 543488038 /nfs/dbraw/zinc/48/80/38/543488038.db2.gz QILTYGDOUBLLKO-DLBZAZTESA-N 1 0 366.469 2.135 10 30 FEEERO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)n1 ZINC000096073877 222012245 /nfs/dbraw/zinc/01/22/45/222012245.db2.gz JIVGPDPNHXKAGG-ICSRJNTNSA-N 1 0 356.470 2.415 10 30 FEEERO C=CCNC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc1 ZINC000132944743 544249168 /nfs/dbraw/zinc/24/91/68/544249168.db2.gz KGOPMAMRWZWXKG-QZTJIDSGSA-N 1 0 358.486 2.177 10 30 FEEERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151151079 544510537 /nfs/dbraw/zinc/51/05/37/544510537.db2.gz DFBWPQPKVYFNOR-LBPRGKRZSA-N 1 0 351.397 2.001 10 30 FEEERO CN(C(=O)CCc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292824 325663817 /nfs/dbraw/zinc/66/38/17/325663817.db2.gz JKAFATIBWFYMNJ-UHFFFAOYSA-N 1 0 365.481 2.310 10 30 FEEERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177463454 327524525 /nfs/dbraw/zinc/52/45/25/327524525.db2.gz MWIWFFHBHKJRPL-HXUWFJFHSA-N 1 0 366.465 2.404 10 30 FEEERO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247557439 549356888 /nfs/dbraw/zinc/35/68/88/549356888.db2.gz FRMCDLJLHLQPDE-RDJZCZTQSA-N 1 0 364.453 2.276 10 30 FEEERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2=O)n(C)n1 ZINC000173851490 546287640 /nfs/dbraw/zinc/28/76/40/546287640.db2.gz BFOYKVBBSPBIHM-QAPCUYQASA-N 1 0 367.453 2.305 10 30 FEEERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000174092017 546291897 /nfs/dbraw/zinc/29/18/97/546291897.db2.gz POVBFIJTQCXPAP-QUCCMNQESA-N 1 0 372.513 2.019 10 30 FEEERO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1 ZINC000181141686 547256851 /nfs/dbraw/zinc/25/68/51/547256851.db2.gz CRSSXGAJPKVETC-DYVFJYSZSA-N 1 0 364.287 2.473 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000195288463 548613310 /nfs/dbraw/zinc/61/33/10/548613310.db2.gz CNURYZIWTBBKLQ-LJQANCHMSA-N 1 0 363.465 2.346 10 30 FEEERO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000247818241 549385476 /nfs/dbraw/zinc/38/54/76/549385476.db2.gz WQICINVVVNJGQN-MAUKXSAKSA-N 1 0 370.432 2.389 10 30 FEEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247926392 549391522 /nfs/dbraw/zinc/39/15/22/549391522.db2.gz ZVDCZJVLMKZZHZ-SFANZJOMSA-N 1 0 372.517 2.309 10 30 FEEERO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N[C@@H]1C[C@H]1C ZINC000083881265 670661677 /nfs/dbraw/zinc/66/16/77/670661677.db2.gz GOUFZHNFHUXHQT-ZYHUDNBSSA-N 1 0 353.264 2.269 10 30 FEEERO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000128582918 672050632 /nfs/dbraw/zinc/05/06/32/672050632.db2.gz SNNCWJDGRUWYMH-ZDUSSCGKSA-N 1 0 361.519 2.155 10 30 FEEERO C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C1CC1)c1ccccc1Br ZINC000262229302 672911535 /nfs/dbraw/zinc/91/15/35/672911535.db2.gz MWCIXRAILWWMQP-LLVKDONJSA-N 1 0 367.291 2.296 10 30 FEEERO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1C[C@H]1C ZINC000262838360 672921970 /nfs/dbraw/zinc/92/19/70/672921970.db2.gz TUVDFGSPZRZYKO-BXKDBHETSA-N 1 0 354.248 2.294 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551878 543451739 /nfs/dbraw/zinc/45/17/39/543451739.db2.gz VNRQKTSYDVJOQT-GJZGRUSLSA-N 1 0 358.490 2.037 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000112551683 543452127 /nfs/dbraw/zinc/45/21/27/543452127.db2.gz VMRQSOVGLWSZPC-HIFRSBDPSA-N 1 0 352.442 2.205 10 30 FEEERO N#Cc1cc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c[nH]1 ZINC000181292947 327723627 /nfs/dbraw/zinc/72/36/27/327723627.db2.gz LMVSHRMSZZEGIU-IBGZPJMESA-N 1 0 352.438 2.062 10 30 FEEERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475173 328321317 /nfs/dbraw/zinc/32/13/17/328321317.db2.gz STZPGQSBNSMOTB-PBHICJAKSA-N 1 0 354.406 2.420 10 30 FEEERO Cc1cc(C)c(C#N)c(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)n1 ZINC000174743205 327347756 /nfs/dbraw/zinc/34/77/56/327347756.db2.gz UTDOGRGYIAEKAZ-UHFFFAOYSA-N 1 0 350.470 2.353 10 30 FEEERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000170845609 546180099 /nfs/dbraw/zinc/18/00/99/546180099.db2.gz KCPFMXHJCRAYBM-FQEVSTJZSA-N 1 0 361.445 2.187 10 30 FEEERO C[N@H+](CCN1CCN(c2ccc(C#N)cn2)CC1)Cc1ccc(F)cc1 ZINC000186729203 548181718 /nfs/dbraw/zinc/18/17/18/548181718.db2.gz JOKIKNDEBGXADY-UHFFFAOYSA-N 1 0 353.445 2.346 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000190075629 548316214 /nfs/dbraw/zinc/31/62/14/548316214.db2.gz NCJZQVKGRKHXOH-HUUCEWRRSA-N 1 0 372.494 2.326 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000246257951 549090646 /nfs/dbraw/zinc/09/06/46/549090646.db2.gz FYAVUENSSZWUGR-ICSRJNTNSA-N 1 0 372.513 2.201 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000246460365 549137428 /nfs/dbraw/zinc/13/74/28/549137428.db2.gz FWGPEKITVBTASG-STQMWFEESA-N 1 0 355.410 2.084 10 30 FEEERO C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c(OC)c1 ZINC000248327409 549419000 /nfs/dbraw/zinc/41/90/00/549419000.db2.gz CJVMXNSMJKWMQX-RBUKOAKNSA-N 1 0 360.498 2.334 10 30 FEEERO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249566773 549605899 /nfs/dbraw/zinc/60/58/99/549605899.db2.gz NFEQLTGNCVLQDK-PVAVHDDUSA-N 1 0 361.511 2.487 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OCC)c2ccc(Cl)cc2)CC1 ZINC000193855212 672738621 /nfs/dbraw/zinc/73/86/21/672738621.db2.gz IVJUORHWVFYVNV-QGZVFWFLSA-N 1 0 362.857 2.406 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121871460 206112013 /nfs/dbraw/zinc/11/20/13/206112013.db2.gz RYZDCPONIRCXJU-CQSZACIVSA-N 1 0 350.850 2.243 10 30 FEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526597 542593393 /nfs/dbraw/zinc/59/33/93/542593393.db2.gz CHAORDLHHYZRQW-GOSISDBHSA-N 1 0 352.438 2.026 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000097258673 543009034 /nfs/dbraw/zinc/00/90/34/543009034.db2.gz NVYQMYJUYFAOLY-INIZCTEOSA-N 1 0 374.485 2.376 10 30 FEEERO CN(c1cccnn1)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000106085546 543193230 /nfs/dbraw/zinc/19/32/30/543193230.db2.gz RHIDUKUDNXUOBE-UHFFFAOYSA-N 1 0 364.453 2.278 10 30 FEEERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215042 543218676 /nfs/dbraw/zinc/21/86/76/543218676.db2.gz GDUZWOLIGDLEPW-MSOLQXFVSA-N 1 0 354.454 2.394 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000112551880 543451836 /nfs/dbraw/zinc/45/18/36/543451836.db2.gz VNRQKTSYDVJOQT-HUUCEWRRSA-N 1 0 358.490 2.037 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000112551678 543452024 /nfs/dbraw/zinc/45/20/24/543452024.db2.gz VMRQSOVGLWSZPC-DZGCQCFKSA-N 1 0 352.442 2.205 10 30 FEEERO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000113443113 543488029 /nfs/dbraw/zinc/48/80/29/543488029.db2.gz GENIGTCOPZUTRQ-INIZCTEOSA-N 1 0 355.442 2.125 10 30 FEEERO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC000117446860 543631986 /nfs/dbraw/zinc/63/19/86/543631986.db2.gz TZZOANLBHXJFQE-GOSISDBHSA-N 1 0 374.485 2.177 10 30 FEEERO CCn1cnnc1C1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000152177728 544622051 /nfs/dbraw/zinc/62/20/51/544622051.db2.gz LAHGDWJXBLWYDE-CQSZACIVSA-N 1 0 352.442 2.376 10 30 FEEERO CC[C@H](O)C[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000153988482 544848193 /nfs/dbraw/zinc/84/81/93/544848193.db2.gz BZZBYKIYRGEEGJ-INIZCTEOSA-N 1 0 356.388 2.325 10 30 FEEERO CN(c1cccnn1)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000106085183 325578323 /nfs/dbraw/zinc/57/83/23/325578323.db2.gz LCKFBLOSBODWQN-UHFFFAOYSA-N 1 0 370.482 2.339 10 30 FEEERO CC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000247548458 549355510 /nfs/dbraw/zinc/35/55/10/549355510.db2.gz DTJDFVIJBSENTE-ZBFHGGJFSA-N 1 0 362.474 2.138 10 30 FEEERO N#CCCN(C(=O)CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171765016 546224704 /nfs/dbraw/zinc/22/47/04/546224704.db2.gz QUCRMSKMILICSP-GOSISDBHSA-N 1 0 354.454 2.020 10 30 FEEERO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172210887 546241096 /nfs/dbraw/zinc/24/10/96/546241096.db2.gz WUUMLVQOSHKHPI-IAGOWNOFSA-N 1 0 356.470 2.110 10 30 FEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000180898095 547205311 /nfs/dbraw/zinc/20/53/11/547205311.db2.gz DZQMANXQKBQJAB-AWEZNQCLSA-N 1 0 368.412 2.273 10 30 FEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000180902754 547206711 /nfs/dbraw/zinc/20/67/11/547206711.db2.gz DAGZSOQZYSBNAR-HNNXBMFYSA-N 1 0 350.422 2.133 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000249109364 549553638 /nfs/dbraw/zinc/55/36/38/549553638.db2.gz AKTFYSFESOYKRP-XHSDSOJGSA-N 1 0 370.453 2.001 10 30 FEEERO CC(C)OC(=NC(=O)c1ccccc1F)NCCCN1CCOCC1 ZINC000035817142 571148765 /nfs/dbraw/zinc/14/87/65/571148765.db2.gz DBEGZRIGPVKSGW-UHFFFAOYSA-N 1 0 351.422 2.059 10 30 FEEERO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262765982 672920447 /nfs/dbraw/zinc/92/04/47/672920447.db2.gz GCXTVUXWTGARNH-OAHLLOKOSA-N 1 0 361.829 2.467 10 30 FEEERO CC[NH+]=C(NCc1cc(F)ccc1SC)N[C@H]1CCc2ncnn2C1 ZINC000262761892 672920478 /nfs/dbraw/zinc/92/04/78/672920478.db2.gz GCUGTKQNJVGKBQ-AWEZNQCLSA-N 1 0 362.478 2.209 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029222960 717116801 /nfs/dbraw/zinc/11/68/01/717116801.db2.gz JDULCXCOKVMFLJ-UHFFFAOYSA-O 1 0 360.865 2.362 10 30 FEEERO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000106083000 543192206 /nfs/dbraw/zinc/19/22/06/543192206.db2.gz JRGHLFXNOXEPKM-UHFFFAOYSA-N 1 0 350.426 2.253 10 30 FEEERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000116794929 543615914 /nfs/dbraw/zinc/61/59/14/543615914.db2.gz GONBLKQJSMMWPC-LJQANCHMSA-N 1 0 366.465 2.368 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3cccnn3)CC2)CC1 ZINC000154783932 544948841 /nfs/dbraw/zinc/94/88/41/544948841.db2.gz CMZPBHDPMDEGQP-UHFFFAOYSA-N 1 0 358.490 2.103 10 30 FEEERO CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000191908411 328288173 /nfs/dbraw/zinc/28/81/73/328288173.db2.gz ORKCSDDEKYHCMB-UHFFFAOYSA-N 1 0 357.454 2.436 10 30 FEEERO N#Cc1cc(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ccn1 ZINC000193398020 328372770 /nfs/dbraw/zinc/37/27/70/328372770.db2.gz OROOAZZZNVZDMG-HXUWFJFHSA-N 1 0 364.449 2.129 10 30 FEEERO CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CCOC ZINC000173679917 327275998 /nfs/dbraw/zinc/27/59/98/327275998.db2.gz YVLJYFKKOGOBIQ-KRWDZBQOSA-N 1 0 355.442 2.151 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247551056 549355215 /nfs/dbraw/zinc/35/52/15/549355215.db2.gz DZUCRHIVSKOANZ-IKGGRYGDSA-N 1 0 365.543 2.038 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)OCC)c2ccccc2C)CC1 ZINC000173818440 546287347 /nfs/dbraw/zinc/28/73/47/546287347.db2.gz PSUCLIUAYBFILL-LJQANCHMSA-N 1 0 356.466 2.451 10 30 FEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000173927837 546288313 /nfs/dbraw/zinc/28/83/13/546288313.db2.gz GAOFUEIYNDMWDH-QZTJIDSGSA-N 1 0 360.506 2.323 10 30 FEEERO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000180894248 547204603 /nfs/dbraw/zinc/20/46/03/547204603.db2.gz MCAMVFDIFBHVQQ-INIZCTEOSA-N 1 0 364.449 2.442 10 30 FEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708775 671906472 /nfs/dbraw/zinc/90/64/72/671906472.db2.gz DLZPMMBKLDQZEF-CABCVRRESA-N 1 0 350.484 2.330 10 30 FEEERO C=CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@H]3C2)nc1-c1cccnc1 ZINC000247006632 672845493 /nfs/dbraw/zinc/84/54/93/672845493.db2.gz ITNQVFRGRKQRGY-INIZCTEOSA-N 1 0 356.499 2.400 10 30 FEEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N1CCO[C@@H](COC)C1 ZINC000261913369 672905136 /nfs/dbraw/zinc/90/51/36/672905136.db2.gz JOZJPNZIUQFSPE-JXQTWKCFSA-N 1 0 351.413 2.278 10 30 FEEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)NC[C@]1(O)CCSC1 ZINC000262432187 672915513 /nfs/dbraw/zinc/91/55/13/672915513.db2.gz SPWRXDVVDRTMJN-ORHYLEIMSA-N 1 0 353.454 2.388 10 30 FEEERO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000262761995 672920568 /nfs/dbraw/zinc/92/05/68/672920568.db2.gz GEXYSUWQDFIYHT-OAHLLOKOSA-N 1 0 364.563 2.415 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1C(=O)c1ccccc1 ZINC000007612907 717104145 /nfs/dbraw/zinc/10/41/45/717104145.db2.gz CQUJQYNJBVWKFH-UHFFFAOYSA-O 1 0 350.442 2.002 10 30 FEEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000103476407 543110032 /nfs/dbraw/zinc/11/00/32/543110032.db2.gz QBZSSHRSCJRZED-MRXNPFEDSA-N 1 0 352.442 2.378 10 30 FEEERO CN(C(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)C1(C#N)CCCCC1 ZINC000106079468 543191555 /nfs/dbraw/zinc/19/15/55/543191555.db2.gz KAKMQFWAEQLZRQ-KRWDZBQOSA-N 1 0 370.501 2.062 10 30 FEEERO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000108613493 543298223 /nfs/dbraw/zinc/29/82/23/543298223.db2.gz GCGVGSGLJCOYNV-KGLIPLIRSA-N 1 0 360.483 2.039 10 30 FEEERO CC(C)(O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120984490 543687347 /nfs/dbraw/zinc/68/73/47/543687347.db2.gz VCQYXWRRUCQALA-HNNXBMFYSA-N 1 0 352.276 2.402 10 30 FEEERO N#Cc1ccc2c(c1)O[C@@H](C[NH+]1CCC(CCN3CCOC3=O)CC1)CO2 ZINC000142750529 544418465 /nfs/dbraw/zinc/41/84/65/544418465.db2.gz SJHYCYRVNROAQG-KRWDZBQOSA-N 1 0 371.437 2.252 10 30 FEEERO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695341 324420608 /nfs/dbraw/zinc/42/06/08/324420608.db2.gz JFTXYBSRAQJGBI-YOEHRIQHSA-N 1 0 374.462 2.052 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccc2OC)C(C)C)CC1 ZINC000171723688 546222372 /nfs/dbraw/zinc/22/23/72/546222372.db2.gz XOGDBQYZHYMQOF-LJQANCHMSA-N 1 0 373.497 2.216 10 30 FEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085625 546291911 /nfs/dbraw/zinc/29/19/11/546291911.db2.gz IZKFVKQFVPPLSA-JKSUJKDBSA-N 1 0 366.469 2.080 10 30 FEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000180897440 547205824 /nfs/dbraw/zinc/20/58/24/547205824.db2.gz ANOPMGCAYZWOJZ-HNNXBMFYSA-N 1 0 350.422 2.133 10 30 FEEERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000246721072 549194975 /nfs/dbraw/zinc/19/49/75/549194975.db2.gz LKDUAFQEENATBF-IRXDYDNUSA-N 1 0 359.470 2.021 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC ZINC000247775287 549380036 /nfs/dbraw/zinc/38/00/36/549380036.db2.gz QKEXQJLTKVIFSU-VQIMIIECSA-N 1 0 358.486 2.318 10 30 FEEERO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248501440 549451917 /nfs/dbraw/zinc/45/19/17/549451917.db2.gz TXJFGUPRJIZCKZ-WMZOPIPTSA-N 1 0 361.486 2.238 10 30 FEEERO C[C@H]1CN([C@H](CNC(=O)c2ccnc(C#N)c2)c2cccs2)CCO1 ZINC000249113275 549554421 /nfs/dbraw/zinc/55/44/21/549554421.db2.gz RKQQOQULYALUJG-XJKSGUPXSA-N 1 0 356.451 2.207 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180450 549565552 /nfs/dbraw/zinc/56/55/52/549565552.db2.gz NCJZQVKGRKHXOH-CABCVRRESA-N 1 0 372.494 2.326 10 30 FEEERO N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301395309 553648751 /nfs/dbraw/zinc/64/87/51/553648751.db2.gz LKCFARQLOPIHGT-HNNXBMFYSA-N 1 0 362.499 2.415 10 30 FEEERO CC[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000131784994 672091717 /nfs/dbraw/zinc/09/17/17/672091717.db2.gz DSZJHQLZYDSOAA-HNNXBMFYSA-N 1 0 360.531 2.491 10 30 FEEERO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247518549 672851472 /nfs/dbraw/zinc/85/14/72/672851472.db2.gz NDNGPYZYRYDMOM-KSSFIOAISA-N 1 0 352.479 2.030 10 30 FEEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443579 672916055 /nfs/dbraw/zinc/91/60/55/672916055.db2.gz CZWGIEWCKCMMRX-MRXNPFEDSA-N 1 0 364.559 2.446 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000029222092 717116707 /nfs/dbraw/zinc/11/67/07/717116707.db2.gz QCYQYWCIISFGHC-INIZCTEOSA-N 1 0 371.486 2.165 10 30 FEEERO C=CCC[C@H](C[NH+]1CCCC1)Oc1ncc(F)c(N2CCOCC2)n1 ZINC000072424392 541810197 /nfs/dbraw/zinc/81/01/97/541810197.db2.gz XOUSZAHAZHTWND-OAHLLOKOSA-N 1 0 350.438 2.262 10 30 FEEERO C[NH+](C)C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000117029196 543622077 /nfs/dbraw/zinc/62/20/77/543622077.db2.gz IOVCGYQHHMFVQH-INIZCTEOSA-N 1 0 369.387 2.029 10 30 FEEERO C=CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@H](O)CC)CC1 ZINC000118856792 543660207 /nfs/dbraw/zinc/66/02/07/543660207.db2.gz RHQJSXNJILYDDX-MRXNPFEDSA-N 1 0 363.527 2.292 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164982 327121890 /nfs/dbraw/zinc/12/18/90/327121890.db2.gz NHJKUMKJQCEHLT-MRXNPFEDSA-N 1 0 359.449 2.013 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160582363 546054093 /nfs/dbraw/zinc/05/40/93/546054093.db2.gz MMVLPMOOZZQWIY-KRWDZBQOSA-N 1 0 374.485 2.376 10 30 FEEERO C[NH+](C)C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000171134807 546191997 /nfs/dbraw/zinc/19/19/97/546191997.db2.gz AVZZDDDLZWEUPM-IBGZPJMESA-N 1 0 374.448 2.359 10 30 FEEERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000174092030 546291650 /nfs/dbraw/zinc/29/16/50/546291650.db2.gz POVBFIJTQCXPAP-UYAOXDASSA-N 1 0 372.513 2.019 10 30 FEEERO C#CCCOc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317201 546593048 /nfs/dbraw/zinc/59/30/48/546593048.db2.gz WJKGQWYIFUKUJS-WOJBJXKFSA-N 1 0 370.405 2.181 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181566044 547337887 /nfs/dbraw/zinc/33/78/87/547337887.db2.gz WFFZKGFMORFRKW-MRXNPFEDSA-N 1 0 360.506 2.056 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084237 548316720 /nfs/dbraw/zinc/31/67/20/548316720.db2.gz HWBHOGYULCVBLP-NVXWUHKLSA-N 1 0 370.453 2.003 10 30 FEEERO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000247818238 549385604 /nfs/dbraw/zinc/38/56/04/549385604.db2.gz WQICINVVVNJGQN-CRAIPNDOSA-N 1 0 370.432 2.389 10 30 FEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261676690 672901280 /nfs/dbraw/zinc/90/12/80/672901280.db2.gz HFIWBYBSGOTJAF-QRTARXTBSA-N 1 0 350.894 2.245 10 30 FEEERO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000046973253 540281279 /nfs/dbraw/zinc/28/12/79/540281279.db2.gz XMCIYNDYFNFVBE-VQIMIIECSA-N 1 0 356.470 2.343 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106098680 543195303 /nfs/dbraw/zinc/19/53/03/543195303.db2.gz DZUCRHIVSKOANZ-BBWFWOEESA-N 1 0 365.543 2.038 10 30 FEEERO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1CCOC ZINC000106114766 543201310 /nfs/dbraw/zinc/20/13/10/543201310.db2.gz YQPVAUCKWWACND-MRXNPFEDSA-N 1 0 364.877 2.193 10 30 FEEERO C=CCn1c(C)cc(C(=O)CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000106125771 543204778 /nfs/dbraw/zinc/20/47/78/543204778.db2.gz XYRCYQNBWDZBCB-QGZVFWFLSA-N 1 0 361.530 2.498 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000113442021 543488175 /nfs/dbraw/zinc/48/81/75/543488175.db2.gz QILTYGDOUBLLKO-SJORKVTESA-N 1 0 366.469 2.135 10 30 FEEERO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182856394 327791447 /nfs/dbraw/zinc/79/14/47/327791447.db2.gz PNZBKEYJVKSWDK-CQSZACIVSA-N 1 0 359.451 2.325 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449258 328208199 /nfs/dbraw/zinc/20/81/99/328208199.db2.gz ZGGBMSSTFOWALN-HNNXBMFYSA-N 1 0 352.398 2.215 10 30 FEEERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000190548785 328215461 /nfs/dbraw/zinc/21/54/61/328215461.db2.gz LORUSBQYJNFMNI-CQSZACIVSA-N 1 0 357.483 2.256 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192708310 328334322 /nfs/dbraw/zinc/33/43/22/328334322.db2.gz BZHQIXPIFFIYMN-OAHLLOKOSA-N 1 0 361.490 2.146 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101793784 325481457 /nfs/dbraw/zinc/48/14/57/325481457.db2.gz FNWIKMCCPILHJW-GOSISDBHSA-N 1 0 357.502 2.366 10 30 FEEERO CC1(C)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@@H]1[NH3+] ZINC000261651901 328808876 /nfs/dbraw/zinc/80/88/76/328808876.db2.gz HLADRIXLJRADQT-ZDUSSCGKSA-N 1 0 372.288 2.069 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000176996587 546521098 /nfs/dbraw/zinc/52/10/98/546521098.db2.gz YMNJBXBOLWGFHU-KRWDZBQOSA-N 1 0 368.485 2.093 10 30 FEEERO CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000177132062 546550636 /nfs/dbraw/zinc/55/06/36/546550636.db2.gz GSKDIQSHOFYSNM-OAHLLOKOSA-N 1 0 364.515 2.218 10 30 FEEERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177463433 546624270 /nfs/dbraw/zinc/62/42/70/546624270.db2.gz MWIWFFHBHKJRPL-FQEVSTJZSA-N 1 0 366.465 2.404 10 30 FEEERO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178627147 546823169 /nfs/dbraw/zinc/82/31/69/546823169.db2.gz DMWZUMFGNKPRNW-MRXNPFEDSA-N 1 0 372.469 2.132 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000190084256 548316390 /nfs/dbraw/zinc/31/63/90/548316390.db2.gz HWBHOGYULCVBLP-DOTOQJQBSA-N 1 0 370.453 2.003 10 30 FEEERO C#CCSCCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190717254 548331905 /nfs/dbraw/zinc/33/19/05/548331905.db2.gz PMXVBZIBGDLKOP-HNNXBMFYSA-N 1 0 366.556 2.281 10 30 FEEERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949460 549027358 /nfs/dbraw/zinc/02/73/58/549027358.db2.gz KZUKRVDXTJACOM-OXJNMPFZSA-N 1 0 365.481 2.111 10 30 FEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000246433188 549132679 /nfs/dbraw/zinc/13/26/79/549132679.db2.gz MVQJSGMLTIYOLH-CABCVRRESA-N 1 0 356.388 2.324 10 30 FEEERO CC(C)n1cc([C@@]2(O)CCC[N@H+](CCOc3ccc(C#N)cc3)C2)nn1 ZINC000284528239 551570280 /nfs/dbraw/zinc/57/02/80/551570280.db2.gz FYVQQCVTJUVESB-LJQANCHMSA-N 1 0 355.442 2.093 10 30 FEEERO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CCC(CC)CC1 ZINC000261640070 672900486 /nfs/dbraw/zinc/90/04/86/672900486.db2.gz KSRYBDNTBSYYMH-UHFFFAOYSA-N 1 0 372.579 2.182 10 30 FEEERO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261953618 672905857 /nfs/dbraw/zinc/90/58/57/672905857.db2.gz ICGWEQWIEOLEPG-CZUORRHYSA-N 1 0 362.909 2.381 10 30 FEEERO C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072161371 541792528 /nfs/dbraw/zinc/79/25/28/541792528.db2.gz SUWVWDLPDHJCFE-SFHVURJKSA-N 1 0 372.465 2.469 10 30 FEEERO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129114 543205998 /nfs/dbraw/zinc/20/59/98/543205998.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 1 0 361.534 2.092 10 30 FEEERO CCOCC[N@@H+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1CC ZINC000106119857 543203619 /nfs/dbraw/zinc/20/36/19/543203619.db2.gz JBPLXFPZGPUYFP-SFHVURJKSA-N 1 0 364.534 2.104 10 30 FEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112550986 543451476 /nfs/dbraw/zinc/45/14/76/543451476.db2.gz BNFODHGBXGNIPJ-BXUZGUMPSA-N 1 0 372.860 2.297 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000112551963 543452087 /nfs/dbraw/zinc/45/20/87/543452087.db2.gz ZZWNLAOFMJMIRP-CZUORRHYSA-N 1 0 352.442 2.205 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113227119 543477562 /nfs/dbraw/zinc/47/75/62/543477562.db2.gz SAIMKYGKIJXEEG-PKOBYXMFSA-N 1 0 368.481 2.409 10 30 FEEERO C=CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000118856790 543659940 /nfs/dbraw/zinc/65/99/40/543659940.db2.gz RHQJSXNJILYDDX-INIZCTEOSA-N 1 0 363.527 2.292 10 30 FEEERO CC(C)C[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000133300397 544264273 /nfs/dbraw/zinc/26/42/73/544264273.db2.gz DRQLZABTXBRKJP-UHFFFAOYSA-N 1 0 356.470 2.451 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245900 328137178 /nfs/dbraw/zinc/13/71/78/328137178.db2.gz AHBUTDLADQLYHV-INIZCTEOSA-N 1 0 350.422 2.253 10 30 FEEERO CCC[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000128270897 326520791 /nfs/dbraw/zinc/52/07/91/326520791.db2.gz YOUNZYRZLZXTAS-IBGZPJMESA-N 1 0 365.481 2.485 10 30 FEEERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160169333 546013503 /nfs/dbraw/zinc/01/35/03/546013503.db2.gz ZZWGVEFHRJJSJB-AWEZNQCLSA-N 1 0 360.458 2.130 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000171705156 546219675 /nfs/dbraw/zinc/21/96/75/546219675.db2.gz CAPVKUIVMBCKQY-AWEZNQCLSA-N 1 0 365.499 2.101 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174968946 546304843 /nfs/dbraw/zinc/30/48/43/546304843.db2.gz RKFHLWIFVJHWMB-ZWKOTPCHSA-N 1 0 357.502 2.431 10 30 FEEERO C#CCCOc1ccc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000177317211 546592885 /nfs/dbraw/zinc/59/28/85/546592885.db2.gz WJKGQWYIFUKUJS-PMACEKPBSA-N 1 0 370.405 2.181 10 30 FEEERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181331325 547295032 /nfs/dbraw/zinc/29/50/32/547295032.db2.gz WRHZKZLAKZJROZ-HXUWFJFHSA-N 1 0 366.465 2.404 10 30 FEEERO C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000245932652 549023819 /nfs/dbraw/zinc/02/38/19/549023819.db2.gz SRJPRDKZCIAGOW-MOPGFXCFSA-N 1 0 366.550 2.168 10 30 FEEERO CC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247111250 549285127 /nfs/dbraw/zinc/28/51/27/549285127.db2.gz KRASMCRLQWBQAH-GDBMZVCRSA-N 1 0 374.510 2.477 10 30 FEEERO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CCOC)[C@@H](C)C2)c1=S ZINC000117321748 670913960 /nfs/dbraw/zinc/91/39/60/670913960.db2.gz FVSUIMZAKBLSMX-AWEZNQCLSA-N 1 0 351.520 2.087 10 30 FEEERO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[C@H]1O ZINC000261821214 672903689 /nfs/dbraw/zinc/90/36/89/672903689.db2.gz IIQMFQDIJRMJCI-VQISRLSMSA-N 1 0 360.285 2.353 10 30 FEEERO CC(=O)NCc1cc(O[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000886072146 688199408 /nfs/dbraw/zinc/19/94/08/688199408.db2.gz WJPWLUCHLWHUGX-QGZVFWFLSA-N 1 0 356.451 2.304 10 30 FEEERO C[C@@H](C(=O)Nc1ccc(Br)cc1F)[N+]12CCN(CC1)CC2 ZINC000015454136 717111867 /nfs/dbraw/zinc/11/18/67/717111867.db2.gz QNUSHNYLIALRSS-NSHDSACASA-O 1 0 357.247 2.061 10 30 FEEERO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000046973247 540281132 /nfs/dbraw/zinc/28/11/32/540281132.db2.gz XMCIYNDYFNFVBE-LPHOPBHVSA-N 1 0 356.470 2.343 10 30 FEEERO Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040825037 205081259 /nfs/dbraw/zinc/08/12/59/205081259.db2.gz SXOZPCVLNRXUTD-CIAFOILYSA-N 1 0 359.455 2.145 10 30 FEEERO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106100328 543196073 /nfs/dbraw/zinc/19/60/73/543196073.db2.gz TUHDYBYLGRYVLZ-HZPDHXFCSA-N 1 0 363.527 2.290 10 30 FEEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181174 543214220 /nfs/dbraw/zinc/21/42/20/543214220.db2.gz QTVQPXJIPAVVJY-KRWDZBQOSA-N 1 0 352.442 2.117 10 30 FEEERO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000108613501 543297874 /nfs/dbraw/zinc/29/78/74/543297874.db2.gz GCGVGSGLJCOYNV-UONOGXRCSA-N 1 0 360.483 2.039 10 30 FEEERO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1OCCCC#N ZINC000120656217 543683185 /nfs/dbraw/zinc/68/31/85/543683185.db2.gz XYJOTCNLYYKECM-IAGOWNOFSA-N 1 0 361.486 2.265 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119062632 326122914 /nfs/dbraw/zinc/12/29/14/326122914.db2.gz OCGJAPNTJGDRKU-QGZVFWFLSA-N 1 0 372.469 2.227 10 30 FEEERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(C#N)c2)ncn1 ZINC000174360358 327322053 /nfs/dbraw/zinc/32/20/53/327322053.db2.gz WCHCRMULPZTKBF-MRXNPFEDSA-N 1 0 352.442 2.157 10 30 FEEERO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000178412854 327583297 /nfs/dbraw/zinc/58/32/97/327583297.db2.gz HGIRORSCUXVUOC-GOSISDBHSA-N 1 0 350.422 2.224 10 30 FEEERO CCOCC[N@@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1CC ZINC000175979425 546384559 /nfs/dbraw/zinc/38/45/59/546384559.db2.gz CHZSBFJADFIVEG-GOSISDBHSA-N 1 0 374.485 2.079 10 30 FEEERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)CSCC#N ZINC000177467452 546625505 /nfs/dbraw/zinc/62/55/05/546625505.db2.gz KQUBCARBHQGCBT-SFHVURJKSA-N 1 0 361.511 2.147 10 30 FEEERO C#CCSCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190717272 548332927 /nfs/dbraw/zinc/33/29/27/548332927.db2.gz PMXVBZIBGDLKOP-OAHLLOKOSA-N 1 0 366.556 2.281 10 30 FEEERO CC[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246720426 549195895 /nfs/dbraw/zinc/19/58/95/549195895.db2.gz DOTSPLWZKIGEEJ-HQRMLTQVSA-N 1 0 373.497 2.265 10 30 FEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248415195 549433046 /nfs/dbraw/zinc/43/30/46/549433046.db2.gz NUJNBNYQJNUIHJ-INMHGKMJSA-N 1 0 358.442 2.162 10 30 FEEERO C[NH+]=C(NCc1sc(-c2ccccc2)nc1C)N1CCN(C(C)=O)CC1 ZINC000263274601 549891450 /nfs/dbraw/zinc/89/14/50/549891450.db2.gz XWNBXLIBSLHDNO-UHFFFAOYSA-N 1 0 371.510 2.358 10 30 FEEERO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc(C#N)s2)CC(=O)N1C ZINC000328627574 553798413 /nfs/dbraw/zinc/79/84/13/553798413.db2.gz MYBDWKDJJLZYPF-SCLBCKFNSA-N 1 0 357.483 2.279 10 30 FEEERO CNC(=O)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C ZINC000183685764 672476946 /nfs/dbraw/zinc/47/69/46/672476946.db2.gz PMPBGSOGJMHGQF-QGZVFWFLSA-N 1 0 364.877 2.255 10 30 FEEERO C[C@H](NC(NCC(=O)N(C)C)=[NH+]C1CC1)c1ccccc1Br ZINC000262229303 672911474 /nfs/dbraw/zinc/91/14/74/672911474.db2.gz MWCIXRAILWWMQP-NSHDSACASA-N 1 0 367.291 2.296 10 30 FEEERO Cc1ccc([C@H](C)NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)cc1F ZINC000262381790 672914627 /nfs/dbraw/zinc/91/46/27/672914627.db2.gz KOGSANPFDOZCOK-KBPBESRZSA-N 1 0 367.490 2.327 10 30 FEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000262526408 672917473 /nfs/dbraw/zinc/91/74/73/672917473.db2.gz LFYKKRCQWNUOMP-AWEZNQCLSA-N 1 0 351.878 2.472 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000029222088 717116745 /nfs/dbraw/zinc/11/67/45/717116745.db2.gz QCYQYWCIISFGHC-MRXNPFEDSA-N 1 0 371.486 2.165 10 30 FEEERO Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824848 208269685 /nfs/dbraw/zinc/26/96/85/208269685.db2.gz CSYGMSRUVXSEFA-OEAKJJBVSA-N 1 0 353.426 2.084 10 30 FEEERO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000101587237 543035447 /nfs/dbraw/zinc/03/54/47/543035447.db2.gz XBUNBKPQZFNOCQ-HXUWFJFHSA-N 1 0 351.450 2.258 10 30 FEEERO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079097 543191931 /nfs/dbraw/zinc/19/19/31/543191931.db2.gz WLEBZFNYGPNPAF-OAHLLOKOSA-N 1 0 370.482 2.339 10 30 FEEERO CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000106116287 543202802 /nfs/dbraw/zinc/20/28/02/543202802.db2.gz PHCCKIRIGAZWFV-MRXNPFEDSA-N 1 0 364.877 2.193 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108611176 543297049 /nfs/dbraw/zinc/29/70/49/543297049.db2.gz JCWBTCQKTVIEOL-LSDHHAIUSA-N 1 0 374.510 2.477 10 30 FEEERO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCOCC1 ZINC000113317968 543483686 /nfs/dbraw/zinc/48/36/86/543483686.db2.gz AYMOYFCVUQOBAQ-QGZVFWFLSA-N 1 0 353.470 2.274 10 30 FEEERO C=C(C)COCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000131702547 544202727 /nfs/dbraw/zinc/20/27/27/544202727.db2.gz BXTOOLRLTGXEHG-CVEARBPZSA-N 1 0 367.515 2.402 10 30 FEEERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695337 324420914 /nfs/dbraw/zinc/42/09/14/324420914.db2.gz JFTXYBSRAQJGBI-PBHICJAKSA-N 1 0 374.462 2.052 10 30 FEEERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000174314526 327318672 /nfs/dbraw/zinc/31/86/72/327318672.db2.gz LKDUAFQEENATBF-DLBZAZTESA-N 1 0 359.470 2.021 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000174969428 327364577 /nfs/dbraw/zinc/36/45/77/327364577.db2.gz YEPCCGYDBWYOMN-SJLPKXTDSA-N 1 0 364.453 2.025 10 30 FEEERO C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474618 518720563 /nfs/dbraw/zinc/72/05/63/518720563.db2.gz VEQHJXOZEABWIO-QGZVFWFLSA-N 1 0 358.490 2.178 10 30 FEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000159912632 545991572 /nfs/dbraw/zinc/99/15/72/545991572.db2.gz MVQJSGMLTIYOLH-LSDHHAIUSA-N 1 0 356.388 2.324 10 30 FEEERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000176000121 546388034 /nfs/dbraw/zinc/38/80/34/546388034.db2.gz WUGIXYDLXCOMFQ-LJQANCHMSA-N 1 0 361.445 2.187 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176890850 546501490 /nfs/dbraw/zinc/50/14/90/546501490.db2.gz LSDZKHOFJCPGAM-KRWDZBQOSA-N 1 0 372.469 2.250 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184616968 547854410 /nfs/dbraw/zinc/85/44/10/547854410.db2.gz CLWBKUAOKVGICK-DLBZAZTESA-N 1 0 365.441 2.229 10 30 FEEERO CC[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000246946043 549248097 /nfs/dbraw/zinc/24/80/97/549248097.db2.gz BEESZBJYQIHXLI-MOPGFXCFSA-N 1 0 372.513 2.364 10 30 FEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000247069176 549276682 /nfs/dbraw/zinc/27/66/82/549276682.db2.gz YEPCCGYDBWYOMN-WMZOPIPTSA-N 1 0 364.453 2.025 10 30 FEEERO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000247243628 549305426 /nfs/dbraw/zinc/30/54/26/549305426.db2.gz NESMFBXRULMOPJ-IRXDYDNUSA-N 1 0 372.469 2.366 10 30 FEEERO Cc1cc(N2CCC[C@H]([N@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1 ZINC000328651466 553802508 /nfs/dbraw/zinc/80/25/08/553802508.db2.gz VXRKVAJOBBIXCK-INIZCTEOSA-N 1 0 365.485 2.433 10 30 FEEERO C[NH+]=C(NCc1nnc2n1CCC2)NCC1CCC(C(F)(F)F)CC1 ZINC000081688648 670647842 /nfs/dbraw/zinc/64/78/42/670647842.db2.gz XMZJBYMGXOTEFZ-UHFFFAOYSA-N 1 0 358.412 2.258 10 30 FEEERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000183660525 672476402 /nfs/dbraw/zinc/47/64/02/672476402.db2.gz AQNKZEGFUCHCLB-CXAGYDPISA-N 1 0 362.499 2.237 10 30 FEEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)N(C)CCC#N ZINC000247430199 672850016 /nfs/dbraw/zinc/85/00/16/672850016.db2.gz LVLCCELFXQWNGU-SOUVJXGZSA-N 1 0 352.479 2.030 10 30 FEEERO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000072866987 541884938 /nfs/dbraw/zinc/88/49/38/541884938.db2.gz FIIBWFJXTJTTKM-RBUKOAKNSA-N 1 0 354.454 2.230 10 30 FEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000083702199 542701324 /nfs/dbraw/zinc/70/13/24/542701324.db2.gz HKAFEPCDJQMUSA-IAGOWNOFSA-N 1 0 360.506 2.419 10 30 FEEERO C[NH+](C)C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000108951997 543308789 /nfs/dbraw/zinc/30/87/89/543308789.db2.gz DSUAHCLSNCTWTK-AWEZNQCLSA-N 1 0 362.380 2.475 10 30 FEEERO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113227465 543478563 /nfs/dbraw/zinc/47/85/63/543478563.db2.gz ZYZUOHWZWXIDID-NVXWUHKLSA-N 1 0 357.454 2.421 10 30 FEEERO N#CCCn1cc(CNC[C@H](O)C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000113326982 543483763 /nfs/dbraw/zinc/48/37/63/543483763.db2.gz UQHWIFNYVIGUPH-FQEVSTJZSA-N 1 0 367.497 2.400 10 30 FEEERO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109005832 325656159 /nfs/dbraw/zinc/65/61/59/325656159.db2.gz LJZOHNCQUZVNJV-UHFFFAOYSA-N 1 0 358.471 2.439 10 30 FEEERO CN1CCO[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000171287600 327129719 /nfs/dbraw/zinc/12/97/19/327129719.db2.gz CGXASJHNDHIRNE-HXUWFJFHSA-N 1 0 365.433 2.198 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157550837 545752451 /nfs/dbraw/zinc/75/24/51/545752451.db2.gz OIMSMZWRLGSOPI-SMDDNHRTSA-N 1 0 373.400 2.434 10 30 FEEERO C[NH+](C)C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCO1 ZINC000174851381 546304509 /nfs/dbraw/zinc/30/45/09/546304509.db2.gz YKYZNJZKUWWPEW-MRXNPFEDSA-N 1 0 354.454 2.000 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184600217 547852712 /nfs/dbraw/zinc/85/27/12/547852712.db2.gz IJEGOVYOBNWDHP-INIZCTEOSA-N 1 0 353.430 2.087 10 30 FEEERO C=CCn1c(C)nn(CN2CC[N@@H+](CCOCC)[C@@H](CC)C2)c1=S ZINC000152606629 672184844 /nfs/dbraw/zinc/18/48/44/672184844.db2.gz KWRAVIJXGGTJLG-INIZCTEOSA-N 1 0 353.536 2.299 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171723034 672335084 /nfs/dbraw/zinc/33/50/84/672335084.db2.gz IFMFTUAGESRFGR-HNNXBMFYSA-N 1 0 351.491 2.400 10 30 FEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261669864 672901267 /nfs/dbraw/zinc/90/12/67/672901267.db2.gz GSWCKUNZVSIDRO-AAEUAGOBSA-N 1 0 364.799 2.007 10 30 FEEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443571 672916072 /nfs/dbraw/zinc/91/60/72/672916072.db2.gz CZWGIEWCKCMMRX-INIZCTEOSA-N 1 0 364.559 2.446 10 30 FEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N(C)Cc1ccc(Br)cc1 ZINC000262524499 672917530 /nfs/dbraw/zinc/91/75/30/672917530.db2.gz GDMCHDMULGXJGO-NSHDSACASA-N 1 0 368.197 2.380 10 30 FEEERO C[NH+](C)[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC000858757536 682999074 /nfs/dbraw/zinc/99/90/74/682999074.db2.gz PDBPMYWIHITNRY-CABCVRRESA-N 1 0 350.348 2.160 10 30 FEEERO CCCCOC(=O)c1ccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1 ZINC000029228812 717117766 /nfs/dbraw/zinc/11/77/66/717117766.db2.gz AWHRPUYGHZXWNY-INIZCTEOSA-O 1 0 360.478 2.117 10 30 FEEERO C#CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526595 542593626 /nfs/dbraw/zinc/59/36/26/542593626.db2.gz CHAORDLHHYZRQW-SFHVURJKSA-N 1 0 352.438 2.026 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000111859341 543421081 /nfs/dbraw/zinc/42/10/81/543421081.db2.gz FVFPLKUJZIODOK-HNNXBMFYSA-N 1 0 350.488 2.267 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000112264714 543436956 /nfs/dbraw/zinc/43/69/56/543436956.db2.gz RGABXYLJMKMBRV-UHFFFAOYSA-N 1 0 366.465 2.130 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1 ZINC000114511648 543522143 /nfs/dbraw/zinc/52/21/43/543522143.db2.gz WGWGRJUCAIJOCZ-UHFFFAOYSA-N 1 0 364.453 2.369 10 30 FEEERO COc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1C#N ZINC000135051644 544332383 /nfs/dbraw/zinc/33/23/83/544332383.db2.gz FLVVHASSIZIMQI-UHFFFAOYSA-N 1 0 353.470 2.360 10 30 FEEERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155124921 326778610 /nfs/dbraw/zinc/77/86/10/326778610.db2.gz DWKYCLARYDPQQJ-NSHDSACASA-N 1 0 374.304 2.329 10 30 FEEERO COc1ccccc1C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C(C)C ZINC000180867447 547197038 /nfs/dbraw/zinc/19/70/38/547197038.db2.gz RNUUCSFXIINFEQ-DVSFIDLUSA-N 1 0 357.454 2.378 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181733373 547369073 /nfs/dbraw/zinc/36/90/73/547369073.db2.gz NJDUDNICISJSEW-CABCVRRESA-N 1 0 360.458 2.008 10 30 FEEERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000245949465 549026611 /nfs/dbraw/zinc/02/66/11/549026611.db2.gz KZUKRVDXTJACOM-OXQOHEQNSA-N 1 0 365.481 2.111 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000151712866 672167940 /nfs/dbraw/zinc/16/79/40/672167940.db2.gz JIDWKKKBKNWTCT-HNNXBMFYSA-N 1 0 351.491 2.400 10 30 FEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000262526409 672917284 /nfs/dbraw/zinc/91/72/84/672917284.db2.gz LFYKKRCQWNUOMP-CQSZACIVSA-N 1 0 351.878 2.472 10 30 FEEERO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262765981 672920419 /nfs/dbraw/zinc/92/04/19/672920419.db2.gz GCXTVUXWTGARNH-HNNXBMFYSA-N 1 0 361.829 2.467 10 30 FEEERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108611186 543297983 /nfs/dbraw/zinc/29/79/83/543297983.db2.gz CDESZXZNOPNRAK-AWEZNQCLSA-N 1 0 360.483 2.231 10 30 FEEERO CCC[NH+]1CCC(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000152521623 544663596 /nfs/dbraw/zinc/66/35/96/544663596.db2.gz CBRCFHVZJYBLDB-UHFFFAOYSA-N 1 0 356.470 2.453 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000152939609 544714544 /nfs/dbraw/zinc/71/45/44/544714544.db2.gz CDPVGRMHBLIZTC-SFHVURJKSA-N 1 0 372.517 2.127 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)COc2ccccc2C#N)C1 ZINC000190647378 328222089 /nfs/dbraw/zinc/22/20/89/328222089.db2.gz PMPJMZNGZFRCPR-GOSISDBHSA-N 1 0 364.449 2.313 10 30 FEEERO CC1(C)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[C@H]1[NH3+] ZINC000261651896 328808811 /nfs/dbraw/zinc/80/88/11/328808811.db2.gz HLADRIXLJRADQT-CYBMUJFWSA-N 1 0 372.288 2.069 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)nc1 ZINC000172223646 546241701 /nfs/dbraw/zinc/24/17/01/546241701.db2.gz GEXKWTGRDRNWPD-UHFFFAOYSA-N 1 0 363.465 2.172 10 30 FEEERO C#CCOc1ccccc1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000188053275 548270076 /nfs/dbraw/zinc/27/00/76/548270076.db2.gz XCQYLRHYWCBDMG-UHFFFAOYSA-N 1 0 367.453 2.172 10 30 FEEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000192935134 548376631 /nfs/dbraw/zinc/37/66/31/548376631.db2.gz MOXGPRYOQDGTHS-OAHLLOKOSA-N 1 0 370.544 2.229 10 30 FEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000246386762 549121978 /nfs/dbraw/zinc/12/19/78/549121978.db2.gz KHBKXWYTNXQXCD-GOEBONIOSA-N 1 0 374.510 2.476 10 30 FEEERO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247807419 549383695 /nfs/dbraw/zinc/38/36/95/549383695.db2.gz TUHDYBYLGRYVLZ-HOTGVXAUSA-N 1 0 363.527 2.290 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000248430565 549435225 /nfs/dbraw/zinc/43/52/25/549435225.db2.gz AZIUDPYPRFLFHU-WMLDXEAASA-N 1 0 360.458 2.434 10 30 FEEERO CC(C)n1cc([C@@]2(O)CCC[N@H+](CCOc3cccc(C#N)c3)C2)nn1 ZINC000284490209 551560879 /nfs/dbraw/zinc/56/08/79/551560879.db2.gz CKMREFWBJUBMAY-LJQANCHMSA-N 1 0 355.442 2.093 10 30 FEEERO CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)CN2C)[C@@H]1c1ccccc1 ZINC000329124351 553884878 /nfs/dbraw/zinc/88/48/78/553884878.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 1 0 361.486 2.124 10 30 FEEERO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1CCc2ncnn2C1 ZINC000126078346 672020049 /nfs/dbraw/zinc/02/00/49/672020049.db2.gz LPOGFAORSBUOTF-GFCCVEGCSA-N 1 0 361.519 2.102 10 30 FEEERO CCc1nc(CNC(N[C@@H]2CCc3nc(C(C)C)nn3C2)=[NH+]C)cs1 ZINC000152032780 672173667 /nfs/dbraw/zinc/17/36/67/672173667.db2.gz YASFYUWITFELKA-GFCCVEGCSA-N 1 0 361.519 2.100 10 30 FEEERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000183660489 672475512 /nfs/dbraw/zinc/47/55/12/672475512.db2.gz AQNKZEGFUCHCLB-SUMWQHHRSA-N 1 0 362.499 2.237 10 30 FEEERO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262404554 672915036 /nfs/dbraw/zinc/91/50/36/672915036.db2.gz OHCSNTXCMKHQAQ-YNEHKIRRSA-N 1 0 369.453 2.097 10 30 FEEERO COc1cccc(-c2c(C#N)c(SCC(N)=O)nc3c2C[N@H+](C)CC3)c1 ZINC000040569967 208256893 /nfs/dbraw/zinc/25/68/93/208256893.db2.gz FQKXAXUJTASWPX-UHFFFAOYSA-N 1 0 368.462 2.194 10 30 FEEERO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000107305655 543265876 /nfs/dbraw/zinc/26/58/76/543265876.db2.gz HGOUGASGMSHCAJ-UHFFFAOYSA-N 1 0 352.442 2.378 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(CC)nn2C1 ZINC000112550676 543451495 /nfs/dbraw/zinc/45/14/95/543451495.db2.gz AENHURADHGUKKK-CABCVRRESA-N 1 0 373.526 2.410 10 30 FEEERO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000128393748 544049841 /nfs/dbraw/zinc/04/98/41/544049841.db2.gz QSHHEEZBLITMLM-CQSZACIVSA-N 1 0 372.446 2.454 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000130642864 544159069 /nfs/dbraw/zinc/15/90/69/544159069.db2.gz CXJSBOZVAOYFNS-CVEARBPZSA-N 1 0 362.470 2.177 10 30 FEEERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000174314514 327319049 /nfs/dbraw/zinc/31/90/49/327319049.db2.gz LKDUAFQEENATBF-IAGOWNOFSA-N 1 0 359.470 2.021 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174768169 327349618 /nfs/dbraw/zinc/34/96/18/327349618.db2.gz ZYPPCMFZCJXIAA-CYBMUJFWSA-N 1 0 368.359 2.116 10 30 FEEERO C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1cc(-n2cc(C)cn2)ncn1 ZINC000072474617 518710546 /nfs/dbraw/zinc/71/05/46/518710546.db2.gz VEQHJXOZEABWIO-KRWDZBQOSA-N 1 0 358.490 2.178 10 30 FEEERO C=CCOc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)cc1OC ZINC000174642385 546300863 /nfs/dbraw/zinc/30/08/63/546300863.db2.gz XHWQEDOOXDFMJJ-NVXWUHKLSA-N 1 0 362.470 2.177 10 30 FEEERO C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC000177756534 546680647 /nfs/dbraw/zinc/68/06/47/546680647.db2.gz CJVMXNSMJKWMQX-RTBURBONSA-N 1 0 360.498 2.334 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000179344577 546935911 /nfs/dbraw/zinc/93/59/11/546935911.db2.gz FNSOPFCGFQHMGA-MJGOQNOKSA-N 1 0 359.445 2.112 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000194255508 548455950 /nfs/dbraw/zinc/45/59/50/548455950.db2.gz JYFONDBYQUEKNB-HNNXBMFYSA-N 1 0 350.488 2.185 10 30 FEEERO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CCOC)[C@@H](CC)C2)c1=S ZINC000117323798 670914890 /nfs/dbraw/zinc/91/48/90/670914890.db2.gz PLVQCULXSPJKQZ-INIZCTEOSA-N 1 0 365.547 2.478 10 30 FEEERO CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560387 672200601 /nfs/dbraw/zinc/20/06/01/672200601.db2.gz VFAGKWOSPDRQMI-MRXNPFEDSA-N 1 0 354.564 2.034 10 30 FEEERO CNC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000183640818 672475149 /nfs/dbraw/zinc/47/51/49/672475149.db2.gz CLUKSXMPTGZEHR-MRXNPFEDSA-N 1 0 362.499 2.187 10 30 FEEERO C[NH+]=C(NCc1ccc(Cl)s1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261854836 672904640 /nfs/dbraw/zinc/90/46/40/672904640.db2.gz YMVOGZVXZHXYPQ-ZDUSSCGKSA-N 1 0 353.879 2.284 10 30 FEEERO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052853083 540494249 /nfs/dbraw/zinc/49/42/49/540494249.db2.gz UNPDQPXQMLFZRU-LJQANCHMSA-N 1 0 366.465 2.215 10 30 FEEERO C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(C(=O)N2CCOCC2)cn1 ZINC000072422784 541808801 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CC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000174600362 327337444 /nfs/dbraw/zinc/33/74/44/327337444.db2.gz KOLIBDCFUGIZSQ-QAPCUYQASA-N 1 0 361.511 2.095 10 30 FEEERO CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174610724 327338610 /nfs/dbraw/zinc/33/86/10/327338610.db2.gz DFFRYIWVDNQXHQ-MJGOQNOKSA-N 1 0 373.497 2.411 10 30 FEEERO N#Cc1ccc(CCC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000159357769 545946430 /nfs/dbraw/zinc/94/64/30/545946430.db2.gz BTEJDPZQGCMLCT-NRFANRHFSA-N 1 0 363.461 2.026 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176890838 546501582 /nfs/dbraw/zinc/50/15/82/546501582.db2.gz LSDZKHOFJCPGAM-QGZVFWFLSA-N 1 0 372.469 2.250 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000177702918 546669983 /nfs/dbraw/zinc/66/99/83/546669983.db2.gz IOKLHLGXCHAOSZ-GOSISDBHSA-N 1 0 366.469 2.099 10 30 FEEERO C=CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000190339635 548323797 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0 353.875 2.459 10 30 FEEERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887784 553755404 /nfs/dbraw/zinc/75/54/04/553755404.db2.gz CRDGHTPDMHUDHT-FXAWDEMLSA-N 1 0 353.466 2.408 10 30 FEEERO Cc1ccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)N2CCOCC2)s1 ZINC000262423987 672915443 /nfs/dbraw/zinc/91/54/43/672915443.db2.gz CAHHZXDFGMKXAI-ZBFHGGJFSA-N 1 0 350.532 2.476 10 30 FEEERO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H](O)c1cccc(Cl)c1 ZINC000262793322 672920897 /nfs/dbraw/zinc/92/08/97/672920897.db2.gz OXXXBUALYHQSDS-OAHLLOKOSA-N 1 0 361.829 2.467 10 30 FEEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181171 543214517 /nfs/dbraw/zinc/21/45/17/543214517.db2.gz QTVQPXJIPAVVJY-QGZVFWFLSA-N 1 0 352.442 2.117 10 30 FEEERO C=C(C)COCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000131702750 544202585 /nfs/dbraw/zinc/20/25/85/544202585.db2.gz BXTOOLRLTGXEHG-HOTGVXAUSA-N 1 0 367.515 2.402 10 30 FEEERO N#CCCN(C(=O)CN1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302852 544636490 /nfs/dbraw/zinc/63/64/90/544636490.db2.gz ZZFRCKNXJLLWPX-LJQANCHMSA-N 1 0 350.422 2.482 10 30 FEEERO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000153563292 544791746 /nfs/dbraw/zinc/79/17/46/544791746.db2.gz MBXPYJWHNGATSS-INIZCTEOSA-N 1 0 354.372 2.343 10 30 FEEERO CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820709 328397049 /nfs/dbraw/zinc/39/70/49/328397049.db2.gz NAXZUYBHRBFXGV-GFCCVEGCSA-N 1 0 361.389 2.340 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000112551680 325790774 /nfs/dbraw/zinc/79/07/74/325790774.db2.gz VMRQSOVGLWSZPC-ZFWWWQNUSA-N 1 0 352.442 2.205 10 30 FEEERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000124447223 326454085 /nfs/dbraw/zinc/45/40/85/326454085.db2.gz IZOGVQOCKILZEP-AWEZNQCLSA-N 1 0 374.304 2.363 10 30 FEEERO CCC[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000128271151 326520794 /nfs/dbraw/zinc/52/07/94/326520794.db2.gz YOUNZYRZLZXTAS-LJQANCHMSA-N 1 0 365.481 2.485 10 30 FEEERO N#CCCCCNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174726931 546302153 /nfs/dbraw/zinc/30/21/53/546302153.db2.gz HWVBPNCHWOPFNM-LJQANCHMSA-N 1 0 358.486 2.425 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC ZINC000177055037 546533611 /nfs/dbraw/zinc/53/36/11/546533611.db2.gz JWXMWCZIGJBBFK-MOPGFXCFSA-N 1 0 359.470 2.205 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000179344568 546936103 /nfs/dbraw/zinc/93/61/03/546936103.db2.gz FNSOPFCGFQHMGA-IEBWSBKVSA-N 1 0 359.445 2.112 10 30 FEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000180826807 547188275 /nfs/dbraw/zinc/18/82/75/547188275.db2.gz HCXVOOQZEFWCLX-INIZCTEOSA-N 1 0 357.479 2.498 10 30 FEEERO CCc1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181937645 547410285 /nfs/dbraw/zinc/41/02/85/547410285.db2.gz ACHNBKLYAKQOGP-IBGZPJMESA-N 1 0 364.497 2.281 10 30 FEEERO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000247153648 549291957 /nfs/dbraw/zinc/29/19/57/549291957.db2.gz KDIIZTHUSFGFKO-NZSAHSFTSA-N 1 0 360.498 2.332 10 30 FEEERO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000247243610 549304671 /nfs/dbraw/zinc/30/46/71/549304671.db2.gz NESMFBXRULMOPJ-DLBZAZTESA-N 1 0 372.469 2.366 10 30 FEEERO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000247804345 549381627 /nfs/dbraw/zinc/38/16/27/549381627.db2.gz SFKPBOOVLJGPEE-GUDVDZBRSA-N 1 0 372.513 2.099 10 30 FEEERO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000249148876 549561468 /nfs/dbraw/zinc/56/14/68/549561468.db2.gz GVNFPYCTRWEIPE-RDJZCZTQSA-N 1 0 357.454 2.275 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249153544 549561561 /nfs/dbraw/zinc/56/15/61/549561561.db2.gz HWBHOGYULCVBLP-WBVHZDCISA-N 1 0 370.453 2.003 10 30 FEEERO C=CCNC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1 ZINC000302201617 553710556 /nfs/dbraw/zinc/71/05/56/553710556.db2.gz ZKJSFPAAFYEZTI-UHFFFAOYSA-N 1 0 371.872 2.368 10 30 FEEERO COc1c(O)cc2c(c1OC)[C@]13C=C(OC)C(=O)C=C1[C@H](CC2)[N@@H+](C)CC3 ZINC000013359558 560214982 /nfs/dbraw/zinc/21/49/82/560214982.db2.gz IJGDMFUAWANQSX-LHSJRXKWSA-N 1 0 371.433 2.337 10 30 in-vitro FEEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCCn2nc(C)nc21 ZINC000132160407 672095409 /nfs/dbraw/zinc/09/54/09/672095409.db2.gz IPBAMCYYAIJYNV-CQSZACIVSA-N 1 0 361.519 2.293 10 30 FEEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156404311 672246213 /nfs/dbraw/zinc/24/62/13/672246213.db2.gz SQWBKJLJZBEERJ-MRXNPFEDSA-N 1 0 360.893 2.289 10 30 FEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000180830637 672418847 /nfs/dbraw/zinc/41/88/47/672418847.db2.gz DTVNKTUHUCLASA-AWEZNQCLSA-N 1 0 361.442 2.496 10 30 FEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000261751160 672902484 /nfs/dbraw/zinc/90/24/84/672902484.db2.gz QCYOFKFISKNUQH-UFBFGSQYSA-N 1 0 358.211 2.105 10 30 FEEERO NC(=[NH2+])NN=C1c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000005736776 539416352 /nfs/dbraw/zinc/41/63/52/539416352.db2.gz YMAYBRVHJWFONH-ZHZULCJRSA-N 1 0 372.226 2.183 10 30 FEEERO C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072161372 210065852 /nfs/dbraw/zinc/06/58/52/210065852.db2.gz SUWVWDLPDHJCFE-GOSISDBHSA-N 1 0 372.465 2.469 10 30 FEEERO N#Cc1cc(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000077497908 542389041 /nfs/dbraw/zinc/38/90/41/542389041.db2.gz NYLIUDVAOMHBKI-SFHVURJKSA-N 1 0 368.412 2.238 10 30 FEEERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101786758 543045442 /nfs/dbraw/zinc/04/54/42/543045442.db2.gz RUSDHIKAOXAMMC-HNNXBMFYSA-N 1 0 361.465 2.259 10 30 FEEERO C[N@H+](CCOc1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000106130873 543206076 /nfs/dbraw/zinc/20/60/76/543206076.db2.gz KBQDOKDJOGBHLD-UHFFFAOYSA-N 1 0 353.470 2.230 10 30 FEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000247475083 549339714 /nfs/dbraw/zinc/33/97/14/549339714.db2.gz SAIMKYGKIJXEEG-MJGOQNOKSA-N 1 0 368.481 2.409 10 30 FEEERO CO[C@H]1C[C@H](c2nc(C)no2)N(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000189334486 328141465 /nfs/dbraw/zinc/14/14/65/328141465.db2.gz SQATVBSHLVXYAI-JKSUJKDBSA-N 1 0 355.398 2.040 10 30 FEEERO Cc1nn(C)c(C)c1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156188692 545605608 /nfs/dbraw/zinc/60/56/08/545605608.db2.gz KPQGFTSEIMRISZ-UHFFFAOYSA-N 1 0 367.497 2.495 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000176444882 546447891 /nfs/dbraw/zinc/44/78/91/546447891.db2.gz IEGMPOSTXBBHBR-KRWDZBQOSA-N 1 0 355.486 2.013 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184608947 547853100 /nfs/dbraw/zinc/85/31/00/547853100.db2.gz JDMWNAWHBVZBKY-GOEBONIOSA-N 1 0 358.442 2.284 10 30 FEEERO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248501438 549451150 /nfs/dbraw/zinc/45/11/50/549451150.db2.gz TXJFGUPRJIZCKZ-FUHWJXTLSA-N 1 0 361.486 2.238 10 30 FEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249180454 549565362 /nfs/dbraw/zinc/56/53/62/549565362.db2.gz NCJZQVKGRKHXOH-GJZGRUSLSA-N 1 0 372.494 2.326 10 30 FEEERO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@H]1CCc2ncnn2C1 ZINC000126078601 672020058 /nfs/dbraw/zinc/02/00/58/672020058.db2.gz LPOGFAORSBUOTF-LBPRGKRZSA-N 1 0 361.519 2.102 10 30 FEEERO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000158038065 672265462 /nfs/dbraw/zinc/26/54/62/672265462.db2.gz IWBGKSBXZWJWPU-FUHWJXTLSA-N 1 0 351.878 2.451 10 30 FEEERO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N(C)Cc1ccc(Br)s1 ZINC000262280386 672912283 /nfs/dbraw/zinc/91/22/83/672912283.db2.gz WPLMKCRQNSQPRY-MRVPVSSYSA-N 1 0 374.226 2.441 10 30 FEEERO C[NH+]=C(NCC1CCSCC1)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000262764471 672920473 /nfs/dbraw/zinc/92/04/73/672920473.db2.gz GYJJRYBXVSXBEA-AWEZNQCLSA-N 1 0 350.536 2.025 10 30 FEEERO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068223420 221314255 /nfs/dbraw/zinc/31/42/55/221314255.db2.gz PFVSODCWNGJKHO-QGZVFWFLSA-N 1 0 370.501 2.243 10 30 FEEERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108611173 543297177 /nfs/dbraw/zinc/29/71/77/543297177.db2.gz JCWBTCQKTVIEOL-GJZGRUSLSA-N 1 0 374.510 2.477 10 30 FEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121871318 543700555 /nfs/dbraw/zinc/70/05/55/543700555.db2.gz RYZDCPONIRCXJU-AWEZNQCLSA-N 1 0 350.850 2.243 10 30 FEEERO C[NH+](C)C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000128214762 544039410 /nfs/dbraw/zinc/03/94/10/544039410.db2.gz QKKQFGXRHVNROQ-LJQANCHMSA-N 1 0 353.470 2.226 10 30 FEEERO N#CCCN(C(=O)CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152302769 544636698 /nfs/dbraw/zinc/63/66/98/544636698.db2.gz ZZFRCKNXJLLWPX-IBGZPJMESA-N 1 0 350.422 2.482 10 30 FEEERO C#Cc1cccc(NC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c1 ZINC000154460989 544909058 /nfs/dbraw/zinc/90/90/58/544909058.db2.gz DEPANWPXBXQFJF-UHFFFAOYSA-N 1 0 363.465 2.479 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000190449280 328208276 /nfs/dbraw/zinc/20/82/76/328208276.db2.gz ZGGBMSSTFOWALN-OAHLLOKOSA-N 1 0 352.398 2.215 10 30 FEEERO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940707 327108420 /nfs/dbraw/zinc/10/84/20/327108420.db2.gz MMXKCRPEEDXFQE-GOSISDBHSA-N 1 0 364.453 2.278 10 30 FEEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000171701995 327156101 /nfs/dbraw/zinc/15/61/01/327156101.db2.gz ZNZINQJWFLIVPF-CYBMUJFWSA-N 1 0 370.482 2.366 10 30 FEEERO CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174615968 327338778 /nfs/dbraw/zinc/33/87/78/327338778.db2.gz DOTSPLWZKIGEEJ-YVWKXTFCSA-N 1 0 373.497 2.265 10 30 FEEERO Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853793 546179262 /nfs/dbraw/zinc/17/92/62/546179262.db2.gz IBDNHIDEVINWES-SFHVURJKSA-N 1 0 352.438 2.026 10 30 FEEERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1CC ZINC000172132978 546238418 /nfs/dbraw/zinc/23/84/18/546238418.db2.gz QQBQXNUVLAVNEB-GOSISDBHSA-N 1 0 374.485 2.231 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181733392 547368919 /nfs/dbraw/zinc/36/89/19/547368919.db2.gz NJDUDNICISJSEW-HUUCEWRRSA-N 1 0 360.458 2.008 10 30 FEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247246339 549306490 /nfs/dbraw/zinc/30/64/90/549306490.db2.gz YLMPZBFELIRVGT-DLBZAZTESA-N 1 0 363.527 2.058 10 30 FEEERO COc1cc(C[N@@H+]2CCC[C@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N ZINC000285617082 551783697 /nfs/dbraw/zinc/78/36/97/551783697.db2.gz VSHGFHOVTKCZRT-LJQANCHMSA-N 1 0 355.442 2.223 10 30 FEEERO N#CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193039536 672710220 /nfs/dbraw/zinc/71/02/20/672710220.db2.gz OFBXAVVGYWQXOL-HUUCEWRRSA-N 1 0 350.344 2.173 10 30 FEEERO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247518541 672851503 /nfs/dbraw/zinc/85/15/03/672851503.db2.gz NDNGPYZYRYDMOM-KBXCAEBGSA-N 1 0 352.479 2.030 10 30 FEEERO C[NH+]=C(NCC1CCSCC1)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000262764475 672920571 /nfs/dbraw/zinc/92/05/71/672920571.db2.gz GYJJRYBXVSXBEA-CQSZACIVSA-N 1 0 350.536 2.025 10 30 FEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000055051144 717130396 /nfs/dbraw/zinc/13/03/96/717130396.db2.gz TVGHMEFAVNAHNC-UHFFFAOYSA-O 1 0 365.457 2.023 10 30 FEEERO C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840545 210169759 /nfs/dbraw/zinc/16/97/59/210169759.db2.gz FENHZCVIIIYKCY-OAQYLSRUSA-N 1 0 374.456 2.135 10 30 FEEERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1CC ZINC000106119500 543203477 /nfs/dbraw/zinc/20/34/77/543203477.db2.gz SJMCPWOMRSTMTH-MRXNPFEDSA-N 1 0 364.515 2.381 10 30 FEEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000106208693 543218543 /nfs/dbraw/zinc/21/85/43/543218543.db2.gz RAWFCMVFZQMZGT-PKOBYXMFSA-N 1 0 354.454 2.485 10 30 FEEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000113442024 543487893 /nfs/dbraw/zinc/48/78/93/543487893.db2.gz QILTYGDOUBLLKO-IRXDYDNUSA-N 1 0 366.469 2.135 10 30 FEEERO N#CCCn1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000120969257 543687474 /nfs/dbraw/zinc/68/74/74/543687474.db2.gz JIUOGOFHMWPNDD-FQEVSTJZSA-N 1 0 365.481 2.370 10 30 FEEERO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071649 543688816 /nfs/dbraw/zinc/68/88/16/543688816.db2.gz KQBVDKAPGJGIGE-GOSISDBHSA-N 1 0 359.470 2.284 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000128393418 544049498 /nfs/dbraw/zinc/04/94/98/544049498.db2.gz VUVTYWVQCRUSGP-MAUKXSAKSA-N 1 0 360.454 2.053 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000130642614 544159286 /nfs/dbraw/zinc/15/92/86/544159286.db2.gz CXJSBOZVAOYFNS-HZPDHXFCSA-N 1 0 362.470 2.177 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771021 325300642 /nfs/dbraw/zinc/30/06/42/325300642.db2.gz XOBAKWVBKFUJNG-CYBMUJFWSA-N 1 0 350.850 2.243 10 30 FEEERO Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1C#N ZINC000174601703 327337534 /nfs/dbraw/zinc/33/75/34/327337534.db2.gz UIEOVEKKANEWPZ-GOSISDBHSA-N 1 0 350.422 2.224 10 30 FEEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000172892922 546269984 /nfs/dbraw/zinc/26/99/84/546269984.db2.gz QWLJEJUQZLRCRK-CYBMUJFWSA-N 1 0 357.435 2.251 10 30 FEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790099 546488581 /nfs/dbraw/zinc/48/85/81/546488581.db2.gz XQSYOKCZBOTHDR-ZIAGYGMSSA-N 1 0 370.482 2.045 10 30 FEEERO N#Cc1ccccc1/C=C/C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000178582422 546815648 /nfs/dbraw/zinc/81/56/48/546815648.db2.gz HYNXLOQEBSTIAL-GLCJEOIMSA-N 1 0 361.445 2.107 10 30 FEEERO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2(O)CCC(C(=O)OCC)CC2)c1 ZINC000190822115 548334987 /nfs/dbraw/zinc/33/49/87/548334987.db2.gz DMTNCICLNKLLGX-UHFFFAOYSA-N 1 0 372.465 2.023 10 30 FEEERO CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000246716913 549195713 /nfs/dbraw/zinc/19/57/13/549195713.db2.gz DFFRYIWVDNQXHQ-HKUYNNGSSA-N 1 0 373.497 2.411 10 30 FEEERO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000247153632 549291831 /nfs/dbraw/zinc/29/18/31/549291831.db2.gz KDIIZTHUSFGFKO-BHIYHBOVSA-N 1 0 360.498 2.332 10 30 FEEERO Cn1cc(C[NH2+]C[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cc1C#N ZINC000284640824 551596675 /nfs/dbraw/zinc/59/66/75/551596675.db2.gz USXYGQLKKWYESF-OXJNMPFZSA-N 1 0 352.486 2.336 10 30 FEEERO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C#N)c(C)n1 ZINC000301758520 553677682 /nfs/dbraw/zinc/67/76/82/553677682.db2.gz FEOOMJYOINJMJK-UHFFFAOYSA-N 1 0 369.513 2.389 10 30 FEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000128585231 672050621 /nfs/dbraw/zinc/05/06/21/672050621.db2.gz JAOQWQWRALHLHV-ZDUSSCGKSA-N 1 0 361.519 2.155 10 30 FEEERO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261953619 672906091 /nfs/dbraw/zinc/90/60/91/672906091.db2.gz ICGWEQWIEOLEPG-XJKSGUPXSA-N 1 0 362.909 2.381 10 30 FEEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2 ZINC000019633676 210155396 /nfs/dbraw/zinc/15/53/96/210155396.db2.gz IBYQCZHKIAIZET-KRWDZBQOSA-N 1 0 352.482 2.461 10 30 FEEERO CN(C(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1)C1(C#N)CCCCC1 ZINC000106079466 543191524 /nfs/dbraw/zinc/19/15/24/543191524.db2.gz KAKMQFWAEQLZRQ-QGZVFWFLSA-N 1 0 370.501 2.062 10 30 FEEERO CC[C@@H](O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123486308 543764955 /nfs/dbraw/zinc/76/49/55/543764955.db2.gz AXOWJDVGOYDDMZ-HXUWFJFHSA-N 1 0 367.497 2.352 10 30 FEEERO CN(C(=O)NCc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109393535 325666864 /nfs/dbraw/zinc/66/68/64/325666864.db2.gz CUTZRLIZQAJHOS-UHFFFAOYSA-N 1 0 366.469 2.061 10 30 FEEERO CCn1cnnc1C1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000158009549 326882040 /nfs/dbraw/zinc/88/20/40/326882040.db2.gz FTSAZURSTRWRSJ-UHFFFAOYSA-N 1 0 355.442 2.437 10 30 FEEERO CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174610712 327338424 /nfs/dbraw/zinc/33/84/24/327338424.db2.gz DFFRYIWVDNQXHQ-IEBWSBKVSA-N 1 0 373.497 2.411 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(C#N)cs3)CC2)nc1 ZINC000177479880 327525453 /nfs/dbraw/zinc/52/54/53/327525453.db2.gz LPDVYDJEDRFFOD-UHFFFAOYSA-N 1 0 355.467 2.039 10 30 FEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000157922816 545799931 /nfs/dbraw/zinc/79/99/31/545799931.db2.gz GEEOBKVVKDOKNS-UHFFFAOYSA-N 1 0 367.453 2.256 10 30 FEEERO Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853791 546179137 /nfs/dbraw/zinc/17/91/37/546179137.db2.gz IBDNHIDEVINWES-GOSISDBHSA-N 1 0 352.438 2.026 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)CC1 ZINC000171723683 546221436 /nfs/dbraw/zinc/22/14/36/546221436.db2.gz XOGDBQYZHYMQOF-IBGZPJMESA-N 1 0 373.497 2.216 10 30 FEEERO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000172892915 546269917 /nfs/dbraw/zinc/26/99/17/546269917.db2.gz QWLJEJUQZLRCRK-ZDUSSCGKSA-N 1 0 357.435 2.251 10 30 FEEERO CCOCC[N@@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC ZINC000246410020 549127361 /nfs/dbraw/zinc/12/73/61/549127361.db2.gz JWXMWCZIGJBBFK-RBUKOAKNSA-N 1 0 359.470 2.205 10 30 FEEERO CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247804347 549382088 /nfs/dbraw/zinc/38/20/88/549382088.db2.gz SFKPBOOVLJGPEE-IPMKNSEASA-N 1 0 372.513 2.099 10 30 FEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)cc1 ZINC000284633934 551595181 /nfs/dbraw/zinc/59/51/81/551595181.db2.gz QPKPKLWZJLCPEC-PKOBYXMFSA-N 1 0 351.454 2.447 10 30 FEEERO CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000130687216 672078736 /nfs/dbraw/zinc/07/87/36/672078736.db2.gz XANLNQJIRHCXFI-HNNXBMFYSA-N 1 0 365.547 2.087 10 30 FEEERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000183645424 672475087 /nfs/dbraw/zinc/47/50/87/672475087.db2.gz QPPABTKRKFOPRA-CXAGYDPISA-N 1 0 362.499 2.380 10 30 FEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000261751158 672902763 /nfs/dbraw/zinc/90/27/63/672902763.db2.gz QCYOFKFISKNUQH-QPUJVOFHSA-N 1 0 358.211 2.105 10 30 FEEERO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(C#CCCO)cc3)C2)C1 ZINC000014964865 210146075 /nfs/dbraw/zinc/14/60/75/210146075.db2.gz SECMCDFHMMYRBR-JOCHJYFZSA-N 1 0 356.510 2.355 10 30 FEEERO CCOc1c(Br)cc(Br)cc1C=NNC(N)=[NH2+] ZINC000007929874 539471233 /nfs/dbraw/zinc/47/12/33/539471233.db2.gz TUBZFZOFXHQTBD-PJQLUOCWSA-N 1 0 364.041 2.427 10 30 FEEERO C=CC[N@H+](Cc1cccs1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230811 539751497 /nfs/dbraw/zinc/75/14/97/539751497.db2.gz ZOGNRUPYILYHKS-AWEZNQCLSA-N 1 0 356.447 2.393 10 30 FEEERO CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000106102661 543197070 /nfs/dbraw/zinc/19/70/70/543197070.db2.gz SFKPBOOVLJGPEE-CEXWTWQISA-N 1 0 372.513 2.099 10 30 FEEERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1CC ZINC000106117618 543202950 /nfs/dbraw/zinc/20/29/50/543202950.db2.gz TYRQJYXDDXYKJX-SFHVURJKSA-N 1 0 358.486 2.320 10 30 FEEERO C[NH+](C)Cc1ccc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000114511625 543521905 /nfs/dbraw/zinc/52/19/05/543521905.db2.gz FQMOYYSVYIUPSK-UHFFFAOYSA-N 1 0 364.453 2.369 10 30 FEEERO C[NH+](C)C[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000117029194 543621764 /nfs/dbraw/zinc/62/17/64/543621764.db2.gz IOVCGYQHHMFVQH-MRXNPFEDSA-N 1 0 369.387 2.029 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000128392765 544049651 /nfs/dbraw/zinc/04/96/51/544049651.db2.gz VUVTYWVQCRUSGP-QAPCUYQASA-N 1 0 360.454 2.053 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000152939492 544714017 /nfs/dbraw/zinc/71/40/17/544714017.db2.gz CDPVGRMHBLIZTC-GOSISDBHSA-N 1 0 372.517 2.127 10 30 FEEERO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000153563410 544792054 /nfs/dbraw/zinc/79/20/54/544792054.db2.gz MBXPYJWHNGATSS-MRXNPFEDSA-N 1 0 354.372 2.343 10 30 FEEERO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247530771 549351452 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359.470 2.425 10 30 FEEERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC ZINC000247873176 549388679 /nfs/dbraw/zinc/38/86/79/549388679.db2.gz XYKDNNCBICNMFI-MSOLQXFVSA-N 1 0 364.534 2.150 10 30 FEEERO N#CC1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000311577959 553754765 /nfs/dbraw/zinc/75/47/65/553754765.db2.gz WHUJXOVQHNGGKI-GBESFXJTSA-N 1 0 353.466 2.334 10 30 FEEERO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000328625442 553798167 /nfs/dbraw/zinc/79/81/67/553798167.db2.gz DDNSWCFVEBKJQQ-CQSZACIVSA-N 1 0 371.876 2.470 10 30 FEEERO C=C(Br)CNC(=[NH+]CC)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262015871 672908000 /nfs/dbraw/zinc/90/80/00/672908000.db2.gz XTHHHDZIACHEPN-CYBMUJFWSA-N 1 0 353.264 2.409 10 30 FEEERO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014747626 220131622 /nfs/dbraw/zinc/13/16/22/220131622.db2.gz ZZSYXFPJKDBTSU-QGZVFWFLSA-N 1 0 372.513 2.275 10 30 FEEERO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081241 543192253 /nfs/dbraw/zinc/19/22/53/543192253.db2.gz FEZGAQYDLWEZCP-UHFFFAOYSA-N 1 0 350.426 2.253 10 30 FEEERO CC[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000106116290 543202667 /nfs/dbraw/zinc/20/26/67/543202667.db2.gz PHCCKIRIGAZWFV-INIZCTEOSA-N 1 0 364.877 2.193 10 30 FEEERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1CC ZINC000106119504 543203438 /nfs/dbraw/zinc/20/34/38/543203438.db2.gz SJMCPWOMRSTMTH-INIZCTEOSA-N 1 0 364.515 2.381 10 30 FEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112550982 543451224 /nfs/dbraw/zinc/45/12/24/543451224.db2.gz BNFODHGBXGNIPJ-SMDDNHRTSA-N 1 0 372.860 2.297 10 30 FEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114931434 543545421 /nfs/dbraw/zinc/54/54/21/543545421.db2.gz GISRNBISRRSQRX-SJORKVTESA-N 1 0 374.533 2.153 10 30 FEEERO C#CCOc1ccccc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121224054 543691027 /nfs/dbraw/zinc/69/10/27/543691027.db2.gz JZXWEIPOORPIMG-UHFFFAOYSA-N 1 0 352.482 2.492 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ZINC000067788108 518711365 /nfs/dbraw/zinc/71/13/65/518711365.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 1 0 370.501 2.322 10 30 FEEERO C=CCC[C@H](C[N@H+]1CCCN(C)CC1)Oc1ccc(-n2ccnc2C)nn1 ZINC000067788110 518721769 /nfs/dbraw/zinc/72/17/69/518721769.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 1 0 370.501 2.322 10 30 FEEERO N#Cc1cc(F)ccc1NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177898519 546704339 /nfs/dbraw/zinc/70/43/39/546704339.db2.gz MXQJXJBSVQUOBB-SFHVURJKSA-N 1 0 368.412 2.238 10 30 FEEERO C#CCCOc1ccc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000179212764 546915204 /nfs/dbraw/zinc/91/52/04/546915204.db2.gz NNYZDNPDSDZMFS-UHFFFAOYSA-N 1 0 354.454 2.488 10 30 FEEERO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000180899363 547205648 /nfs/dbraw/zinc/20/56/48/547205648.db2.gz KUZRTGMGMOJGRY-INIZCTEOSA-N 1 0 364.449 2.442 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000195279521 548611329 /nfs/dbraw/zinc/61/13/29/548611329.db2.gz HZSGWYDQYCPDFU-IBGZPJMESA-N 1 0 363.465 2.346 10 30 FEEERO C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OCC)c2ccc(Cl)cc2)CC1 ZINC000193855223 672738700 /nfs/dbraw/zinc/73/87/00/672738700.db2.gz IVJUORHWVFYVNV-KRWDZBQOSA-N 1 0 362.857 2.406 10 30 FEEERO Cc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)N2CCOCC2)s1 ZINC000262423983 672915583 /nfs/dbraw/zinc/91/55/83/672915583.db2.gz CAHHZXDFGMKXAI-GOEBONIOSA-N 1 0 350.532 2.476 10 30 FEEERO C[C@@H](NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2)c1ccc(Br)cc1 ZINC000029226160 717117343 /nfs/dbraw/zinc/11/73/43/717117343.db2.gz MJRVZZXPGJBVOS-ZIAGYGMSSA-O 1 0 367.311 2.161 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CC1 ZINC000106340608 543224110 /nfs/dbraw/zinc/22/41/10/543224110.db2.gz OLNOSKZXAMHWDN-INIZCTEOSA-N 1 0 361.490 2.383 10 30 FEEERO COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000121071501 543688791 /nfs/dbraw/zinc/68/87/91/543688791.db2.gz KQBVDKAPGJGIGE-SFHVURJKSA-N 1 0 359.470 2.284 10 30 FEEERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000192475185 328321325 /nfs/dbraw/zinc/32/13/25/328321325.db2.gz STZPGQSBNSMOTB-WMLDXEAASA-N 1 0 354.406 2.420 10 30 FEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000192935749 328347724 /nfs/dbraw/zinc/34/77/24/328347724.db2.gz IDQXPEGTWUFJSG-KRWDZBQOSA-N 1 0 370.478 2.096 10 30 FEEERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000116783720 326035165 /nfs/dbraw/zinc/03/51/65/326035165.db2.gz OWYBDOWBEKSART-QGZVFWFLSA-N 1 0 369.421 2.133 10 30 FEEERO CCC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC000161463598 327000155 /nfs/dbraw/zinc/00/01/55/327000155.db2.gz ZKQZMRJUOGUXBO-OAHLLOKOSA-N 1 0 371.441 2.185 10 30 FEEERO Cn1cc(CN2CCC[N@H+](CCCOc3ccc(C#N)cc3)CC2)cn1 ZINC000170943675 327108989 /nfs/dbraw/zinc/10/89/89/327108989.db2.gz RAJQVCVCWZLHOO-UHFFFAOYSA-N 1 0 353.470 2.269 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181733355 547369503 /nfs/dbraw/zinc/36/95/03/547369503.db2.gz NJDUDNICISJSEW-LSDHHAIUSA-N 1 0 360.458 2.008 10 30 FEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000187855467 548264963 /nfs/dbraw/zinc/26/49/63/548264963.db2.gz BHSSQLFUHNONBF-KRWDZBQOSA-N 1 0 373.497 2.266 10 30 FEEERO C=C(C)CS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189702195 548307251 /nfs/dbraw/zinc/30/72/51/548307251.db2.gz LXLPHGYCBHOQDZ-LJQANCHMSA-N 1 0 366.527 2.270 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000249109360 549553894 /nfs/dbraw/zinc/55/38/94/549553894.db2.gz AKTFYSFESOYKRP-BZUAXINKSA-N 1 0 370.453 2.001 10 30 FEEERO Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284690462 551609096 /nfs/dbraw/zinc/60/90/96/551609096.db2.gz XPLJDTFXOKTZQU-KBXCAEBGSA-N 1 0 355.442 2.348 10 30 FEEERO CC(C)n1cc([C@]2(O)CCC[N@H+](CCOc3ccccc3C#N)C2)nn1 ZINC000284758145 551626032 /nfs/dbraw/zinc/62/60/32/551626032.db2.gz YCSWMRAASRWXDY-IBGZPJMESA-N 1 0 355.442 2.093 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000151712809 672167786 /nfs/dbraw/zinc/16/77/86/672167786.db2.gz JIDWKKKBKNWTCT-OAHLLOKOSA-N 1 0 351.491 2.400 10 30 FEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H](C)c1ccccc1Br ZINC000262017139 672907787 /nfs/dbraw/zinc/90/77/87/672907787.db2.gz XYBIGIIOTAFZNZ-JTQLQIEISA-N 1 0 365.279 2.312 10 30 FEEERO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N(C)Cc1ccccc1Br ZINC000262234135 672911479 /nfs/dbraw/zinc/91/14/79/672911479.db2.gz NQYJQYNZVOBONB-LLVKDONJSA-N 1 0 368.197 2.380 10 30 FEEERO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1C[C@@H]1C ZINC000262838366 672921964 /nfs/dbraw/zinc/92/19/64/672921964.db2.gz TUVDFGSPZRZYKO-JOYOIKCWSA-N 1 0 354.248 2.294 10 30 FEEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000103476596 543110620 /nfs/dbraw/zinc/11/06/20/543110620.db2.gz LDTVAALNSITMCV-MRXNPFEDSA-N 1 0 352.442 2.378 10 30 FEEERO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000113443116 543488048 /nfs/dbraw/zinc/48/80/48/543488048.db2.gz GENIGTCOPZUTRQ-MRXNPFEDSA-N 1 0 355.442 2.125 10 30 FEEERO Cc1cnn(C[C@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)c1 ZINC000122461837 543707199 /nfs/dbraw/zinc/70/71/99/543707199.db2.gz YGHMIXFCYKJIOI-HXUWFJFHSA-N 1 0 353.470 2.442 10 30 FEEERO C=CCNC(=O)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc1 ZINC000132944990 544249507 /nfs/dbraw/zinc/24/95/07/544249507.db2.gz KGOPMAMRWZWXKG-ZWKOTPCHSA-N 1 0 358.486 2.177 10 30 FEEERO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000054538941 324761727 /nfs/dbraw/zinc/76/17/27/324761727.db2.gz FGDSFFVEIULVLO-INIZCTEOSA-N 1 0 360.458 2.314 10 30 FEEERO CN(C(=O)Nc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109352847 325666048 /nfs/dbraw/zinc/66/60/48/325666048.db2.gz AGLMJZPMKJCXEY-UHFFFAOYSA-N 1 0 352.442 2.383 10 30 FEEERO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160135900 546011682 /nfs/dbraw/zinc/01/16/82/546011682.db2.gz CGRBQMJVBSIBRI-INIZCTEOSA-N 1 0 368.460 2.130 10 30 FEEERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175944019 546376713 /nfs/dbraw/zinc/37/67/13/546376713.db2.gz KTSIOVBMMJOOCX-KRWDZBQOSA-N 1 0 354.385 2.055 10 30 FEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887622 546501116 /nfs/dbraw/zinc/50/11/16/546501116.db2.gz FQBARAKPVNHAOG-MRXNPFEDSA-N 1 0 372.469 2.227 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000179431931 546952621 /nfs/dbraw/zinc/95/26/21/546952621.db2.gz VSLDRTWMNNXXIJ-LXPRWKDFSA-N 1 0 371.485 2.427 10 30 FEEERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180175161 547063609 /nfs/dbraw/zinc/06/36/09/547063609.db2.gz WJHVXAMFWOGISG-QGZVFWFLSA-N 1 0 361.453 2.217 10 30 FEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000181183561 547266275 /nfs/dbraw/zinc/26/62/75/547266275.db2.gz YXZUQZQRQSGHCK-ZBFHGGJFSA-N 1 0 360.458 2.266 10 30 FEEERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000182357371 547478942 /nfs/dbraw/zinc/47/89/42/547478942.db2.gz SIXBJJXCGPXUIL-QAPCUYQASA-N 1 0 367.453 2.477 10 30 FEEERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612094 /nfs/dbraw/zinc/61/20/94/548612094.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 1 0 350.466 2.441 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248450663 549439423 /nfs/dbraw/zinc/43/94/23/549439423.db2.gz JDMWNAWHBVZBKY-HOCLYGCPSA-N 1 0 358.442 2.284 10 30 FEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000128584979 672050595 /nfs/dbraw/zinc/05/05/95/672050595.db2.gz JAOQWQWRALHLHV-CYBMUJFWSA-N 1 0 361.519 2.155 10 30 FEEERO CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261988835 672906838 /nfs/dbraw/zinc/90/68/38/672906838.db2.gz QUZRQPDEKPZEFD-FUHWJXTLSA-N 1 0 351.878 2.451 10 30 FEEERO C[NH+]=C(NCCN1CCSCC1)NC1CCC(C(F)(F)F)CC1 ZINC000262772655 672920551 /nfs/dbraw/zinc/92/05/51/672920551.db2.gz IIJVSXPMYSAABI-UHFFFAOYSA-N 1 0 352.470 2.321 10 30 FEEERO CCOc1c(Br)cc(Br)cc1C=NNC(N)=[NH2+] ZINC000036511913 539990416 /nfs/dbraw/zinc/99/04/16/539990416.db2.gz TUBZFZOFXHQTBD-WCSRMQSCSA-N 1 0 364.041 2.427 10 30 FEEERO CCCCC[NH2+][C@]12C=CC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(C)CC[C@]532 ZINC000022463295 220386437 /nfs/dbraw/zinc/38/64/37/220386437.db2.gz NRPCWSUJMWEFOK-KDXIVRHGSA-N 1 0 368.477 2.309 10 30 in-man FEEERO CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CC[N@H+](C[C@@H]3O[C@@H]31)[C@H]42 ZINC000056871355 221081941 /nfs/dbraw/zinc/08/19/41/221081941.db2.gz AUVZFRDLRJQTQF-KXEYLTKFSA-N 1 0 352.434 2.432 10 30 in-vitro FEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000106218720 543219712 /nfs/dbraw/zinc/21/97/12/543219712.db2.gz HSVMMIRXIIHGPU-HNNXBMFYSA-N 1 0 358.833 2.469 10 30 FEEERO COc1ccc(C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316258 /nfs/dbraw/zinc/31/62/58/327316258.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 1 0 351.450 2.076 10 30 FEEERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157749916 545779112 /nfs/dbraw/zinc/77/91/12/545779112.db2.gz IKDBSUNAAPTCIX-INIZCTEOSA-N 1 0 355.442 2.437 10 30 FEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000174085650 546291672 /nfs/dbraw/zinc/29/16/72/546291672.db2.gz IZKFVKQFVPPLSA-HZPDHXFCSA-N 1 0 366.469 2.080 10 30 FEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000176790147 546488589 /nfs/dbraw/zinc/48/85/89/546488589.db2.gz XQSYOKCZBOTHDR-KBPBESRZSA-N 1 0 370.482 2.045 10 30 FEEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194047418 548427615 /nfs/dbraw/zinc/42/76/15/548427615.db2.gz YQNVQZRQPOJCCQ-AWEZNQCLSA-N 1 0 355.467 2.312 10 30 FEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000245627466 548960896 /nfs/dbraw/zinc/96/08/96/548960896.db2.gz YXZUQZQRQSGHCK-GOEBONIOSA-N 1 0 360.458 2.266 10 30 FEEERO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000328630301 553799301 /nfs/dbraw/zinc/79/93/01/553799301.db2.gz JEXDBZGTHBEEKJ-CQSZACIVSA-N 1 0 354.433 2.560 10 30 FEEERO C[NH+]=C(NCc1ccc(Cl)s1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261854834 672904529 /nfs/dbraw/zinc/90/45/29/672904529.db2.gz YMVOGZVXZHXYPQ-CYBMUJFWSA-N 1 0 353.879 2.284 10 30 FEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N(C)Cc1ccc(Br)s1 ZINC000262280397 672912219 /nfs/dbraw/zinc/91/22/19/672912219.db2.gz WPLMKCRQNSQPRY-QMMMGPOBSA-N 1 0 374.226 2.441 10 30 FEEERO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076951 543190823 /nfs/dbraw/zinc/19/08/23/543190823.db2.gz SMGVZYKVUMHOQF-QGZVFWFLSA-N 1 0 364.453 2.278 10 30 FEEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106172905 543211848 /nfs/dbraw/zinc/21/18/48/543211848.db2.gz ZVDCZJVLMKZZHZ-NRGCRIOASA-N 1 0 372.517 2.309 10 30 FEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114931437 543545412 /nfs/dbraw/zinc/54/54/12/543545412.db2.gz GISRNBISRRSQRX-IAGOWNOFSA-N 1 0 374.533 2.153 10 30 FEEERO C=CCCS(=O)(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000125729365 543898008 /nfs/dbraw/zinc/89/80/08/543898008.db2.gz XMXSRLUPYKTBAM-IBGZPJMESA-N 1 0 366.527 2.270 10 30 FEEERO C=C(C)COCCNC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000151550893 544555845 /nfs/dbraw/zinc/55/58/45/544555845.db2.gz ZJULMXNNEGMPMQ-UHFFFAOYSA-N 1 0 363.506 2.103 10 30 FEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119399647 326158039 /nfs/dbraw/zinc/15/80/39/326158039.db2.gz PUVJRUOSNMFADU-OAHLLOKOSA-N 1 0 362.861 2.387 10 30 FEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121838343 326371087 /nfs/dbraw/zinc/37/10/87/326371087.db2.gz ZPSKJXQHHAEBDX-CQSZACIVSA-N 1 0 350.850 2.243 10 30 FEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000171164976 327121704 /nfs/dbraw/zinc/12/17/04/327121704.db2.gz NHJKUMKJQCEHLT-INIZCTEOSA-N 1 0 359.449 2.013 10 30 FEEERO C=CCOc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1OC ZINC000174642396 546301305 /nfs/dbraw/zinc/30/13/05/546301305.db2.gz XHWQEDOOXDFMJJ-WBVHZDCISA-N 1 0 362.470 2.177 10 30 FEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176887645 546500633 /nfs/dbraw/zinc/50/06/33/546500633.db2.gz FQBARAKPVNHAOG-INIZCTEOSA-N 1 0 372.469 2.227 10 30 FEEERO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178541025 546809310 /nfs/dbraw/zinc/80/93/10/546809310.db2.gz ZZEKJXWUJLLIKD-CYBMUJFWSA-N 1 0 359.373 2.046 10 30 FEEERO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000184608795 547853343 /nfs/dbraw/zinc/85/33/43/547853343.db2.gz AZIUDPYPRFLFHU-PBHICJAKSA-N 1 0 360.458 2.434 10 30 FEEERO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cc1 ZINC000246095644 549051407 /nfs/dbraw/zinc/05/14/07/549051407.db2.gz HAKBXXHAAQTQSG-MJGOQNOKSA-N 1 0 361.449 2.493 10 30 FEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000247069151 549276726 /nfs/dbraw/zinc/27/67/26/549276726.db2.gz YEPCCGYDBWYOMN-AEFFLSMTSA-N 1 0 364.453 2.025 10 30 FEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248621699 549469204 /nfs/dbraw/zinc/46/92/04/549469204.db2.gz CXJSBOZVAOYFNS-HOTGVXAUSA-N 1 0 362.470 2.177 10 30 FEEERO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CCOC)[C@H](CC)C2)c1=S ZINC000117323795 670914603 /nfs/dbraw/zinc/91/46/03/670914603.db2.gz PLVQCULXSPJKQZ-MRXNPFEDSA-N 1 0 365.547 2.478 10 30 FEEERO CC[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560510 672200558 /nfs/dbraw/zinc/20/05/58/672200558.db2.gz VFAGKWOSPDRQMI-INIZCTEOSA-N 1 0 354.564 2.034 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172029857 672338797 /nfs/dbraw/zinc/33/87/97/672338797.db2.gz QFLIEOQOWKPZDW-CQSZACIVSA-N 1 0 354.495 2.239 10 30 FEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173160943 672348595 /nfs/dbraw/zinc/34/85/95/672348595.db2.gz PTNJRKUTYMWFRK-GDBMZVCRSA-N 1 0 351.491 2.446 10 30 FEEERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000103476406 543110258 /nfs/dbraw/zinc/11/02/58/543110258.db2.gz PGWHBJSVYZMNQC-INIZCTEOSA-N 1 0 352.442 2.378 10 30 FEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000117046821 543621817 /nfs/dbraw/zinc/62/18/17/543621817.db2.gz GZTOMMIDRVQDAO-GOSISDBHSA-N 1 0 374.533 2.357 10 30 FEEERO CC(C)(O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120984635 543686973 /nfs/dbraw/zinc/68/69/73/543686973.db2.gz VCQYXWRRUCQALA-OAHLLOKOSA-N 1 0 352.276 2.402 10 30 FEEERO C#CCOc1ccc(C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000119824981 543672590 /nfs/dbraw/zinc/67/25/90/543672590.db2.gz IVMOYMPTZREQEL-UHFFFAOYSA-N 1 0 366.465 2.132 10 30 FEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193215798 328363064 /nfs/dbraw/zinc/36/30/64/328363064.db2.gz RJFRTIFMLBUGGT-MRXNPFEDSA-N 1 0 373.501 2.290 10 30 FEEERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695329 324420310 /nfs/dbraw/zinc/42/03/10/324420310.db2.gz JFTXYBSRAQJGBI-RHSMWYFYSA-N 1 0 374.462 2.052 10 30 FEEERO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000053373028 324739473 /nfs/dbraw/zinc/73/94/73/324739473.db2.gz GLIYFQJGUOWAPL-KRWDZBQOSA-N 1 0 353.422 2.365 10 30 FEEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](n3cncn3)C1)CCC2 ZINC000171701998 327156038 /nfs/dbraw/zinc/15/60/38/327156038.db2.gz ZNZINQJWFLIVPF-ZDUSSCGKSA-N 1 0 370.482 2.366 10 30 FEEERO C#CCCCNC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000175598941 546317211 /nfs/dbraw/zinc/31/72/11/546317211.db2.gz BLSWHCCVYOLHGU-FQEVSTJZSA-N 1 0 357.498 2.487 10 30 FEEERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000176883838 546499876 /nfs/dbraw/zinc/49/98/76/546499876.db2.gz ZGEXBWLNLIXYFX-CQSZACIVSA-N 1 0 372.446 2.454 10 30 FEEERO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000183162062 547613510 /nfs/dbraw/zinc/61/35/10/547613510.db2.gz BYDDKFNBLVTZTL-CJNGLKHVSA-N 1 0 354.372 2.330 10 30 FEEERO Cn1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000183257833 547627756 /nfs/dbraw/zinc/62/77/56/547627756.db2.gz RWDLJCQNOMVUIR-KRWDZBQOSA-N 1 0 361.453 2.462 10 30 FEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247091735 549281833 /nfs/dbraw/zinc/28/18/33/549281833.db2.gz JCWBTCQKTVIEOL-HUUCEWRRSA-N 1 0 374.510 2.477 10 30 FEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708907 671906615 /nfs/dbraw/zinc/90/66/15/671906615.db2.gz DLZPMMBKLDQZEF-LSDHHAIUSA-N 1 0 350.484 2.330 10 30 FEEERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000183645384 672475187 /nfs/dbraw/zinc/47/51/87/672475187.db2.gz QPPABTKRKFOPRA-SUMWQHHRSA-N 1 0 362.499 2.380 10 30 FEEERO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262803925 672921363 /nfs/dbraw/zinc/92/13/63/672921363.db2.gz SCANNRZDPUNJIX-CHWSQXEVSA-N 1 0 352.470 2.321 10 30 FEEERO